From a24940e7c7db610eb0042120021595bcbce3ae67 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Wed, 2 May 2018 19:30:27 +0200 Subject: [PATCH 001/143] Simplified storage of parameters for CAtomicVolume, D0 and Qsd --- src/plastic_dislotwin.f90 | 1156 +++++++++++++++++++------------------ 1 file changed, 587 insertions(+), 569 deletions(-) mode change 100644 => 100755 src/plastic_dislotwin.f90 diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 old mode 100644 new mode 100755 index e0da954a6..ca362b54f --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -24,105 +24,107 @@ module plastic_dislotwin integer(pInt), dimension(:), allocatable, target, public :: & plastic_dislotwin_Noutput !< number of outputs per instance of this plasticity - integer(pInt), dimension(:), allocatable, public, protected :: & - plastic_dislotwin_totalNslip, & !< total number of active slip systems for each instance - plastic_dislotwin_totalNtwin, & !< total number of active twin systems for each instance - plastic_dislotwin_totalNtrans !< number of active transformation systems + integer(pInt), dimension(:), allocatable, private :: & + totalNslip, & !< total number of active slip systems for each instance + totalNtwin, & !< total number of active twin systems for each instance + totalNtrans !< number of active transformation systems integer(pInt), dimension(:,:), allocatable, private :: & - plastic_dislotwin_Nslip, & !< number of active slip systems for each family and instance - plastic_dislotwin_Ntwin, & !< number of active twin systems for each family and instance - plastic_dislotwin_Ntrans !< number of active transformation systems for each family and instance + Nslip, & !< number of active slip systems for each family and instance + Ntwin, & !< number of active twin systems for each family and instance + Ntrans !< number of active transformation systems for each family and instance + + real(pReal), dimension(:), allocatable, private :: & - plastic_dislotwin_CAtomicVolume, & !< atomic volume in Bugers vector unit - plastic_dislotwin_D0, & !< prefactor for self-diffusion coefficient - plastic_dislotwin_Qsd, & !< activation energy for dislocation climb - plastic_dislotwin_GrainSize, & !< grain size - plastic_dislotwin_pShearBand, & !< p-exponent in shearband velocity - plastic_dislotwin_qShearBand, & !< q-exponent in shearband velocity - plastic_dislotwin_MaxTwinFraction, & !< maximum allowed total twin volume fraction - plastic_dislotwin_CEdgeDipMinDistance, & !< - plastic_dislotwin_Cmfptwin, & !< - plastic_dislotwin_Cthresholdtwin, & !< - plastic_dislotwin_SolidSolutionStrength, & !< Strength due to elements in solid solution - plastic_dislotwin_L0_twin, & !< Length of twin nuclei in Burgers vectors - plastic_dislotwin_L0_trans, & !< Length of trans nuclei in Burgers vectors - plastic_dislotwin_xc_twin, & !< critical distance for formation of twin nucleus - plastic_dislotwin_xc_trans, & !< critical distance for formation of trans nucleus - plastic_dislotwin_VcrossSlip, & !< cross slip volume - plastic_dislotwin_sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) - plastic_dislotwin_sbVelocity, & !< value for shearband velocity_0 - plastic_dislotwin_sbQedge, & !< value for shearband systems Qedge - plastic_dislotwin_SFE_0K, & !< stacking fault energy at zero K - plastic_dislotwin_dSFE_dT, & !< temperature dependance of stacking fault energy - plastic_dislotwin_dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful - plastic_dislotwin_aTolRho, & !< absolute tolerance for integration of dislocation density - plastic_dislotwin_aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction - plastic_dislotwin_aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction - plastic_dislotwin_deltaG, & !< Free energy difference between austensite and martensite - plastic_dislotwin_Cmfptrans, & !< - plastic_dislotwin_Cthresholdtrans, & !< - plastic_dislotwin_transStackHeight !< Stack height of hex nucleus + !CAtomicVolume, & !< atomic volume in Bugers vector unit + !D0, & !< prefactor for self-diffusion coefficient + !Qsd, & !< activation energy for dislocation climb + GrainSize, & !< grain size + pShearBand, & !< p-exponent in shearband velocity + qShearBand, & !< q-exponent in shearband velocity + MaxTwinFraction, & !< maximum allowed total twin volume fraction + CEdgeDipMinDistance, & !< + Cmfptwin, & !< + Cthresholdtwin, & !< + SolidSolutionStrength, & !< Strength due to elements in solid solution + L0_twin, & !< Length of twin nuclei in Burgers vectors + L0_trans, & !< Length of trans nuclei in Burgers vectors + xc_twin, & !< critical distance for formation of twin nucleus + xc_trans, & !< critical distance for formation of trans nucleus + VcrossSlip, & !< cross slip volume + sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) + sbVelocity, & !< value for shearband velocity_0 + sbQedge, & !< value for shearband systems Qedge + SFE_0K, & !< stacking fault energy at zero K + dSFE_dT, & !< temperature dependance of stacking fault energy + dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful + aTolRho, & !< absolute tolerance for integration of dislocation density + aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction + aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction + deltaG, & !< Free energy difference between austensite and martensite + Cmfptrans, & !< + Cthresholdtrans, & !< + transStackHeight !< Stack height of hex nucleus real(pReal), dimension(:,:,:,:), allocatable, private :: & - plastic_dislotwin_Ctwin66 !< twin elasticity matrix in Mandel notation for each instance + Ctwin66 !< twin elasticity matrix in Mandel notation for each instance real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & - plastic_dislotwin_Ctwin3333 !< twin elasticity matrix for each instance + Ctwin3333 !< twin elasticity matrix for each instance real(pReal), dimension(:,:,:,:), allocatable, private :: & - plastic_dislotwin_Ctrans66 !< trans elasticity matrix in Mandel notation for each instance + Ctrans66 !< trans elasticity matrix in Mandel notation for each instance real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & - plastic_dislotwin_Ctrans3333 !< trans elasticity matrix for each instance + Ctrans3333 !< trans elasticity matrix for each instance real(pReal), dimension(:,:), allocatable, private :: & - plastic_dislotwin_rhoEdge0, & !< initial edge dislocation density per slip system for each family and instance - plastic_dislotwin_rhoEdgeDip0, & !< initial edge dipole density per slip system for each family and instance - plastic_dislotwin_burgersPerSlipFamily, & !< absolute length of burgers vector [m] for each slip family and instance - plastic_dislotwin_burgersPerSlipSystem, & !< absolute length of burgers vector [m] for each slip system and instance - plastic_dislotwin_burgersPerTwinFamily, & !< absolute length of burgers vector [m] for each twin family and instance - plastic_dislotwin_burgersPerTwinSystem, & !< absolute length of burgers vector [m] for each twin system and instance - plastic_dislotwin_burgersPerTransFamily, & !< absolute length of burgers vector [m] for each trans family and instance - plastic_dislotwin_burgersPerTransSystem, & !< absolute length of burgers vector [m] for each trans system and instance - plastic_dislotwin_QedgePerSlipFamily, & !< activation energy for glide [J] for each slip family and instance - plastic_dislotwin_QedgePerSlipSystem, & !< activation energy for glide [J] for each slip system and instance - plastic_dislotwin_v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance - plastic_dislotwin_v0PerSlipSystem, & !< dislocation velocity prefactor [m/s] for each slip system and instance - plastic_dislotwin_tau_peierlsPerSlipFamily, & !< Peierls stress [Pa] for each family and instance - plastic_dislotwin_Ndot0PerTwinFamily, & !< twin nucleation rate [1/m³s] for each twin family and instance - plastic_dislotwin_Ndot0PerTwinSystem, & !< twin nucleation rate [1/m³s] for each twin system and instance - plastic_dislotwin_Ndot0PerTransFamily, & !< trans nucleation rate [1/m³s] for each trans family and instance - plastic_dislotwin_Ndot0PerTransSystem, & !< trans nucleation rate [1/m³s] for each trans system and instance - plastic_dislotwin_tau_r_twin, & !< stress to bring partial close together for each twin system and instance - plastic_dislotwin_tau_r_trans, & !< stress to bring partial close together for each trans system and instance - plastic_dislotwin_twinsizePerTwinFamily, & !< twin thickness [m] for each twin family and instance - plastic_dislotwin_twinsizePerTwinSystem, & !< twin thickness [m] for each twin system and instance - plastic_dislotwin_CLambdaSlipPerSlipFamily, & !< Adj. parameter for distance between 2 forest dislocations for each slip family and instance - plastic_dislotwin_CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance - plastic_dislotwin_lamellarsizePerTransFamily, & !< martensite lamellar thickness [m] for each trans family and instance - plastic_dislotwin_lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance - plastic_dislotwin_interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance - plastic_dislotwin_interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance - plastic_dislotwin_interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance - plastic_dislotwin_interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance - plastic_dislotwin_interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance - plastic_dislotwin_interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance - plastic_dislotwin_interaction_TransTrans, & !< coefficients for trans-trans interaction for each interaction type and instance - plastic_dislotwin_pPerSlipFamily, & !< p-exponent in glide velocity - plastic_dislotwin_qPerSlipFamily, & !< q-exponent in glide velocity - plastic_dislotwin_rPerTwinFamily, & !< r-exponent in twin nucleation rate - plastic_dislotwin_sPerTransFamily !< s-exponent in trans nucleation rate + rhoEdge0, & !< initial edge dislocation density per slip system for each family and instance + rhoEdgeDip0, & !< initial edge dipole density per slip system for each family and instance + burgersPerSlipFamily, & !< absolute length of burgers vector [m] for each slip family and instance + burgersPerSlipSystem, & !< absolute length of burgers vector [m] for each slip system and instance + burgersPerTwinFamily, & !< absolute length of burgers vector [m] for each twin family and instance + burgersPerTwinSystem, & !< absolute length of burgers vector [m] for each twin system and instance + burgersPerTransFamily, & !< absolute length of burgers vector [m] for each trans family and instance + burgersPerTransSystem, & !< absolute length of burgers vector [m] for each trans system and instance + QedgePerSlipFamily, & !< activation energy for glide [J] for each slip family and instance + QedgePerSlipSystem, & !< activation energy for glide [J] for each slip system and instance + v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance + v0PerSlipSystem, & !< dislocation velocity prefactor [m/s] for each slip system and instance + tau_peierlsPerSlipFamily, & !< Peierls stress [Pa] for each family and instance + Ndot0PerTwinFamily, & !< twin nucleation rate [1/m³s] for each twin family and instance + Ndot0PerTwinSystem, & !< twin nucleation rate [1/m³s] for each twin system and instance + Ndot0PerTransFamily, & !< trans nucleation rate [1/m³s] for each trans family and instance + Ndot0PerTransSystem, & !< trans nucleation rate [1/m³s] for each trans system and instance + tau_r_twin, & !< stress to bring partial close together for each twin system and instance + tau_r_trans, & !< stress to bring partial close together for each trans system and instance + twinsizePerTwinFamily, & !< twin thickness [m] for each twin family and instance + twinsizePerTwinSystem, & !< twin thickness [m] for each twin system and instance + CLambdaSlipPerSlipFamily, & !< Adj. parameter for distance between 2 forest dislocations for each slip family and instance + CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance + lamellarsizePerTransFamily, & !< martensite lamellar thickness [m] for each trans family and instance + lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance + interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance + interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance + interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance + interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance + interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance + interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance + interaction_TransTrans, & !< coefficients for trans-trans interaction for each interaction type and instance + pPerSlipFamily, & !< p-exponent in glide velocity + qPerSlipFamily, & !< q-exponent in glide velocity + rPerTwinFamily, & !< r-exponent in twin nucleation rate + sPerTransFamily !< s-exponent in trans nucleation rate real(pReal), dimension(:,:,:), allocatable, private :: & - plastic_dislotwin_interactionMatrix_SlipSlip, & !< interaction matrix of the different slip systems for each instance - plastic_dislotwin_interactionMatrix_SlipTwin, & !< interaction matrix of slip systems with twin systems for each instance - plastic_dislotwin_interactionMatrix_TwinSlip, & !< interaction matrix of twin systems with slip systems for each instance - plastic_dislotwin_interactionMatrix_TwinTwin, & !< interaction matrix of the different twin systems for each instance - plastic_dislotwin_interactionMatrix_SlipTrans, & !< interaction matrix of slip systems with trans systems for each instance - plastic_dislotwin_interactionMatrix_TransSlip, & !< interaction matrix of trans systems with slip systems for each instance - plastic_dislotwin_interactionMatrix_TransTrans, & !< interaction matrix of the different trans systems for each instance - plastic_dislotwin_forestProjectionEdge, & !< matrix of forest projections of edge dislocations for each instance - plastic_dislotwin_projectionMatrix_Trans !< matrix for projection of slip system shear on fault band (twin) systems for each instance + interactionMatrix_SlipSlip, & !< interaction matrix of the different slip systems for each instance + interactionMatrix_SlipTwin, & !< interaction matrix of slip systems with twin systems for each instance + interactionMatrix_TwinSlip, & !< interaction matrix of twin systems with slip systems for each instance + interactionMatrix_TwinTwin, & !< interaction matrix of the different twin systems for each instance + interactionMatrix_SlipTrans, & !< interaction matrix of slip systems with trans systems for each instance + interactionMatrix_TransSlip, & !< interaction matrix of trans systems with slip systems for each instance + interactionMatrix_TransTrans, & !< interaction matrix of the different trans systems for each instance + forestProjectionEdge, & !< matrix of forest projections of edge dislocations for each instance + projectionMatrix_Trans !< matrix for projection of slip system shear on fault band (twin) systems for each instance real(pReal), dimension(:,:,:,:,:), allocatable, private :: & - plastic_dislotwin_sbSv + sbSv enum, bind(c) enumerator :: undefined_ID, & @@ -151,7 +153,21 @@ module plastic_dislotwin end enum integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & plastic_dislotwin_outputID !< ID of each post result output + + type,private :: tParameters + real(pReal) :: & + CAtomicVolume, & !< atomic volume in Bugers vector unit + D0, & !< prefactor for self-diffusion coefficient + Qsd, & !< activation energy for dislocation climb + end type + + type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) + + + + type, private :: tDislotwinState + real(pReal), pointer, dimension(:,:) :: & rhoEdge, & rhoEdgeDip, & @@ -286,85 +302,87 @@ subroutine plastic_dislotwin_init(fileUnit) plastic_dislotwin_output = '' allocate(plastic_dislotwin_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) allocate(plastic_dislotwin_Noutput(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_totalNslip(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_totalNtwin(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_totalNtrans(maxNinstance), source=0_pInt) - allocate(plastic_dislotwin_CAtomicVolume(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_D0(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Qsd(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_GrainSize(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_pShearBand(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_qShearBand(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_MaxTwinFraction(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_CEdgeDipMinDistance(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Cmfptwin(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Cthresholdtwin(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_SolidSolutionStrength(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_L0_twin(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_L0_trans(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_xc_twin(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_xc_trans(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_VcrossSlip(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_aTolRho(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_aTolTwinFrac(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_aTolTransFrac(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_sbResistance(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_sbVelocity(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_sbQedge(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_SFE_0K(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_dSFE_dT(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default - allocate(plastic_dislotwin_deltaG(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Cmfptrans(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Cthresholdtrans(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_transStackHeight(maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & + + allocate(param(maxNinstance)) + allocate(Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) + allocate(Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) + allocate(Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) + allocate(totalNslip(maxNinstance), source=0_pInt) + allocate(totalNtwin(maxNinstance), source=0_pInt) + allocate(totalNtrans(maxNinstance), source=0_pInt) + !allocate(CAtomicVolume(maxNinstance), source=0.0_pReal) + !allocate(D0(maxNinstance), source=0.0_pReal) + !allocate(Qsd(maxNinstance), source=0.0_pReal) + allocate(GrainSize(maxNinstance), source=0.0_pReal) + allocate(pShearBand(maxNinstance), source=0.0_pReal) + allocate(qShearBand(maxNinstance), source=0.0_pReal) + allocate(MaxTwinFraction(maxNinstance), source=0.0_pReal) + allocate(CEdgeDipMinDistance(maxNinstance), source=0.0_pReal) + allocate(Cmfptwin(maxNinstance), source=0.0_pReal) + allocate(Cthresholdtwin(maxNinstance), source=0.0_pReal) + allocate(SolidSolutionStrength(maxNinstance), source=0.0_pReal) + allocate(L0_twin(maxNinstance), source=0.0_pReal) + allocate(L0_trans(maxNinstance), source=0.0_pReal) + allocate(xc_twin(maxNinstance), source=0.0_pReal) + allocate(xc_trans(maxNinstance), source=0.0_pReal) + allocate(VcrossSlip(maxNinstance), source=0.0_pReal) + allocate(aTolRho(maxNinstance), source=0.0_pReal) + allocate(aTolTwinFrac(maxNinstance), source=0.0_pReal) + allocate(aTolTransFrac(maxNinstance), source=0.0_pReal) + allocate(sbResistance(maxNinstance), source=0.0_pReal) + allocate(sbVelocity(maxNinstance), source=0.0_pReal) + allocate(sbQedge(maxNinstance), source=0.0_pReal) + allocate(SFE_0K(maxNinstance), source=0.0_pReal) + allocate(dSFE_dT(maxNinstance), source=0.0_pReal) + allocate(dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default + allocate(deltaG(maxNinstance), source=0.0_pReal) + allocate(Cmfptrans(maxNinstance), source=0.0_pReal) + allocate(Cthresholdtrans(maxNinstance), source=0.0_pReal) + allocate(transStackHeight(maxNinstance), source=0.0_pReal) + allocate(rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) + allocate(rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) + allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & + allocate(burgersPerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerTransFamily(lattice_maxNtransFamily,maxNinstance), & + allocate(burgersPerTransFamily(lattice_maxNtransFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance), & + allocate(QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), & + allocate(v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_tau_peierlsPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & + allocate(tau_peierlsPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_pPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_qPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_Ndot0PerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & + allocate(pPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) + allocate(qPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) + allocate(Ndot0PerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_Ndot0PerTransFamily(lattice_maxNtransFamily,maxNinstance), & + allocate(Ndot0PerTransFamily(lattice_maxNtransFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_twinsizePerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & + allocate(twinsizePerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & + allocate(CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_rPerTwinFamily(lattice_maxNtwinFamily,maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_interaction_SlipSlip(lattice_maxNinteraction,maxNinstance), & + allocate(rPerTwinFamily(lattice_maxNtwinFamily,maxNinstance),source=0.0_pReal) + allocate(interaction_SlipSlip(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_interaction_SlipTwin(lattice_maxNinteraction,maxNinstance), & + allocate(interaction_SlipTwin(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_interaction_TwinSlip(lattice_maxNinteraction,maxNinstance), & + allocate(interaction_TwinSlip(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_interaction_TwinTwin(lattice_maxNinteraction,maxNinstance), & + allocate(interaction_TwinTwin(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_interaction_SlipTrans(lattice_maxNinteraction,maxNinstance), & + allocate(interaction_SlipTrans(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_interaction_TransSlip(lattice_maxNinteraction,maxNinstance), & + allocate(interaction_TransSlip(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_interaction_TransTrans(lattice_maxNinteraction,maxNinstance), & + allocate(interaction_TransTrans(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), & + allocate(sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), & source=0.0_pReal) - allocate(plastic_dislotwin_lamellarsizePerTransFamily(lattice_maxNtransFamily,maxNinstance), & + allocate(lamellarsizePerTransFamily(lattice_maxNtransFamily,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_sPerTransFamily(lattice_maxNtransFamily,maxNinstance),source=0.0_pReal) + allocate(sPerTransFamily(lattice_maxNtransFamily,maxNinstance),source=0.0_pReal) rewind(fileUnit) @@ -530,7 +548,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') Nchunks_SlipFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_SlipFamilies - plastic_dislotwin_Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) + Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('rhoedge0','rhoedgedip0','slipburgers','qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip') do j = 1_pInt, Nchunks_SlipFamilies @@ -538,25 +556,25 @@ subroutine plastic_dislotwin_init(fileUnit) enddo select case(tag) case ('rhoedge0') - plastic_dislotwin_rhoEdge0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + rhoEdge0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('rhoedgedip0') - plastic_dislotwin_rhoEdgeDip0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + rhoEdgeDip0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('slipburgers') - plastic_dislotwin_burgersPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + burgersPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('qedge') - plastic_dislotwin_QedgePerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + QedgePerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('v0') - plastic_dislotwin_v0PerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + v0PerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('clambdaslip') - plastic_dislotwin_CLambdaSlipPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + CLambdaSlipPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('tau_peierls') if (lattice_structure(phase) /= LATTICE_bcc_ID) & call IO_warning(42_pInt,ext_msg=trim(tag)//' for non-bcc ('//PLASTICITY_DISLOTWIN_label//')') - plastic_dislotwin_tau_peierlsPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + tau_peierlsPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('p_slip') - plastic_dislotwin_pPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + pPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('q_slip') - plastic_dislotwin_qPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) + qPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) end select !-------------------------------------------------------------------------------------------------- ! parameters depending on slip number of twin families @@ -567,7 +585,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') Nchunks_TwinFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_TwinFamilies - plastic_dislotwin_Ntwin(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) + Ntwin(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('ndot0_twin','twinsize','twinburgers','r_twin') do j = 1_pInt, Nchunks_TwinFamilies @@ -577,13 +595,13 @@ subroutine plastic_dislotwin_init(fileUnit) case ('ndot0_twin') if (lattice_structure(phase) == LATTICE_fcc_ID) & call IO_warning(42_pInt,ext_msg=trim(tag)//' for fcc ('//PLASTICITY_DISLOTWIN_label//')') - plastic_dislotwin_Ndot0PerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) + Ndot0PerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) case ('twinsize') - plastic_dislotwin_twinsizePerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) + twinsizePerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) case ('twinburgers') - plastic_dislotwin_burgersPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) + burgersPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) case ('r_twin') - plastic_dislotwin_rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) + rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) end select !-------------------------------------------------------------------------------------------------- ! parameters depending on number of transformation system families @@ -594,7 +612,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') Nchunks_TransFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_TransFamilies - plastic_dislotwin_Ntrans(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) + Ntrans(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('ndot0_trans','lamellarsize','transburgers','s_trans') do j = 1_pInt, Nchunks_TransFamilies @@ -604,13 +622,13 @@ subroutine plastic_dislotwin_init(fileUnit) case ('ndot0_trans') if (lattice_structure(phase) == LATTICE_fcc_ID) & call IO_warning(42_pInt,ext_msg=trim(tag)//' for fcc ('//PLASTICITY_DISLOTWIN_label//')') - plastic_dislotwin_Ndot0PerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) + Ndot0PerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) case ('lamellarsize') - plastic_dislotwin_lamellarsizePerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) + lamellarsizePerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) case ('transburgers') - plastic_dislotwin_burgersPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) + burgersPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) case ('s_trans') - plastic_dislotwin_sPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) + sPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) end select !-------------------------------------------------------------------------------------------------- ! parameters depending on number of interactions @@ -618,104 +636,104 @@ subroutine plastic_dislotwin_init(fileUnit) if (chunkPos(1) < 1_pInt + Nchunks_SlipSlip) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') do j = 1_pInt, Nchunks_SlipSlip - plastic_dislotwin_interaction_SlipSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) + interaction_SlipSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) enddo case ('interaction_sliptwin','interactionsliptwin') if (chunkPos(1) < 1_pInt + Nchunks_SlipTwin) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') do j = 1_pInt, Nchunks_SlipTwin - plastic_dislotwin_interaction_SlipTwin(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) + interaction_SlipTwin(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) enddo case ('interaction_twinslip','interactiontwinslip') if (chunkPos(1) < 1_pInt + Nchunks_TwinSlip) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') do j = 1_pInt, Nchunks_TwinSlip - plastic_dislotwin_interaction_TwinSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) + interaction_TwinSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) enddo case ('interaction_twintwin','interactiontwintwin') if (chunkPos(1) < 1_pInt + Nchunks_TwinTwin) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') do j = 1_pInt, Nchunks_TwinTwin - plastic_dislotwin_interaction_TwinTwin(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) + interaction_TwinTwin(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) enddo case ('interaction_sliptrans','interactionsliptrans') if (chunkPos(1) < 1_pInt + Nchunks_SlipTrans) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') do j = 1_pInt, Nchunks_SlipTrans - plastic_dislotwin_interaction_SlipTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) + interaction_SlipTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) enddo case ('interaction_transslip','interactiontransslip') if (chunkPos(1) < 1_pInt + Nchunks_TransSlip) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') do j = 1_pInt, Nchunks_TransSlip - plastic_dislotwin_interaction_TransSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) + interaction_TransSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) enddo case ('interaction_transtrans','interactiontranstrans') if (chunkPos(1) < 1_pInt + Nchunks_TransTrans) & call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') do j = 1_pInt, Nchunks_TransTrans - plastic_dislotwin_interaction_TransTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) + interaction_TransTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) enddo !-------------------------------------------------------------------------------------------------- ! parameters independent of number of slip/twin/trans systems case ('grainsize') - plastic_dislotwin_GrainSize(instance) = IO_floatValue(line,chunkPos,2_pInt) + GrainSize(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('maxtwinfraction') - plastic_dislotwin_MaxTwinFraction(instance) = IO_floatValue(line,chunkPos,2_pInt) + MaxTwinFraction(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('p_shearband') - plastic_dislotwin_pShearBand(instance) = IO_floatValue(line,chunkPos,2_pInt) + pShearBand(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('q_shearband') - plastic_dislotwin_qShearBand(instance) = IO_floatValue(line,chunkPos,2_pInt) + qShearBand(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('d0') - plastic_dislotwin_D0(instance) = IO_floatValue(line,chunkPos,2_pInt) + param(instance)%D0 = IO_floatValue(line,chunkPos,2_pInt) case ('qsd') - plastic_dislotwin_Qsd(instance) = IO_floatValue(line,chunkPos,2_pInt) + param(instance)%Qsd = IO_floatValue(line,chunkPos,2_pInt) case ('atol_rho') - plastic_dislotwin_aTolRho(instance) = IO_floatValue(line,chunkPos,2_pInt) + aTolRho(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('atol_twinfrac') - plastic_dislotwin_aTolTwinFrac(instance) = IO_floatValue(line,chunkPos,2_pInt) + aTolTwinFrac(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('atol_transfrac') - plastic_dislotwin_aTolTransFrac(instance) = IO_floatValue(line,chunkPos,2_pInt) + aTolTransFrac(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('cmfptwin') - plastic_dislotwin_Cmfptwin(instance) = IO_floatValue(line,chunkPos,2_pInt) + Cmfptwin(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('cthresholdtwin') - plastic_dislotwin_Cthresholdtwin(instance) = IO_floatValue(line,chunkPos,2_pInt) + Cthresholdtwin(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('solidsolutionstrength') - plastic_dislotwin_SolidSolutionStrength(instance) = IO_floatValue(line,chunkPos,2_pInt) + SolidSolutionStrength(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('l0_twin') - plastic_dislotwin_L0_twin(instance) = IO_floatValue(line,chunkPos,2_pInt) + L0_twin(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('l0_trans') - plastic_dislotwin_L0_trans(instance) = IO_floatValue(line,chunkPos,2_pInt) + L0_trans(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('xc_twin') - plastic_dislotwin_xc_twin(instance) = IO_floatValue(line,chunkPos,2_pInt) + xc_twin(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('xc_trans') - plastic_dislotwin_xc_trans(instance) = IO_floatValue(line,chunkPos,2_pInt) + xc_trans(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('vcrossslip') - plastic_dislotwin_VcrossSlip(instance) = IO_floatValue(line,chunkPos,2_pInt) + VcrossSlip(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('cedgedipmindistance') - plastic_dislotwin_CEdgeDipMinDistance(instance) = IO_floatValue(line,chunkPos,2_pInt) + CEdgeDipMinDistance(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('catomicvolume') - plastic_dislotwin_CAtomicVolume(instance) = IO_floatValue(line,chunkPos,2_pInt) + param(instance)%CAtomicVolume = IO_floatValue(line,chunkPos,2_pInt) case ('sfe_0k') - plastic_dislotwin_SFE_0K(instance) = IO_floatValue(line,chunkPos,2_pInt) + SFE_0K(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('dsfe_dt') - plastic_dislotwin_dSFE_dT(instance) = IO_floatValue(line,chunkPos,2_pInt) + dSFE_dT(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('dipoleformationfactor') - plastic_dislotwin_dipoleFormationFactor(instance) = IO_floatValue(line,chunkPos,2_pInt) + dipoleFormationFactor(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('shearbandresistance') - plastic_dislotwin_sbResistance(instance) = IO_floatValue(line,chunkPos,2_pInt) + sbResistance(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('shearbandvelocity') - plastic_dislotwin_sbVelocity(instance) = IO_floatValue(line,chunkPos,2_pInt) + sbVelocity(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('qedgepersbsystem') - plastic_dislotwin_sbQedge(instance) = IO_floatValue(line,chunkPos,2_pInt) + sbQedge(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('deltag') - plastic_dislotwin_deltaG(instance) = IO_floatValue(line,chunkPos,2_pInt) + deltaG(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('cmfptrans') - plastic_dislotwin_Cmfptrans(instance) = IO_floatValue(line,chunkPos,2_pInt) + Cmfptrans(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('cthresholdtrans') - plastic_dislotwin_Cthresholdtrans(instance) = IO_floatValue(line,chunkPos,2_pInt) + Cthresholdtrans(instance) = IO_floatValue(line,chunkPos,2_pInt) case ('transstackheight') - plastic_dislotwin_transStackHeight(instance) = IO_floatValue(line,chunkPos,2_pInt) + transStackHeight(instance) = IO_floatValue(line,chunkPos,2_pInt) end select endif; endif enddo parsingFile @@ -724,131 +742,131 @@ subroutine plastic_dislotwin_init(fileUnit) myPhase: if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then instance = phase_plasticityInstance(phase) - if (sum(plastic_dislotwin_Nslip(:,instance)) < 0_pInt) & + if (sum(Nslip(:,instance)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Nslip ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(plastic_dislotwin_Ntwin(:,instance)) < 0_pInt) & + if (sum(Ntwin(:,instance)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Ntwin ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(plastic_dislotwin_Ntrans(:,instance)) < 0_pInt) & + if (sum(Ntrans(:,instance)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Ntrans ('//PLASTICITY_DISLOTWIN_label//')') do f = 1_pInt,lattice_maxNslipFamily - if (plastic_dislotwin_Nslip(f,instance) > 0_pInt) then - if (plastic_dislotwin_rhoEdge0(f,instance) < 0.0_pReal) & + if (Nslip(f,instance) > 0_pInt) then + if (rhoEdge0(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_rhoEdgeDip0(f,instance) < 0.0_pReal) & + if (rhoEdgeDip0(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_burgersPerSlipFamily(f,instance) <= 0.0_pReal) & + if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_v0PerSlipFamily(f,instance) <= 0.0_pReal) & + if (v0PerSlipFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & + if (tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') endif enddo do f = 1_pInt,lattice_maxNtwinFamily - if (plastic_dislotwin_Ntwin(f,instance) > 0_pInt) then - if (plastic_dislotwin_burgersPerTwinFamily(f,instance) <= 0.0_pReal) & + if (Ntwin(f,instance) > 0_pInt) then + if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & + if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') endif enddo - if (plastic_dislotwin_CAtomicVolume(instance) <= 0.0_pReal) & + if (param(instance)%CAtomicVolume <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_D0(instance) <= 0.0_pReal) & + if (param(instance)%D0 <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_Qsd(instance) <= 0.0_pReal) & + if (param(instance)%Qsd <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(plastic_dislotwin_Ntwin(:,instance)) > 0_pInt) then - if (dEq0(plastic_dislotwin_SFE_0K(instance)) .and. & - dEq0(plastic_dislotwin_dSFE_dT(instance)) .and. & + if (sum(Ntwin(:,instance)) > 0_pInt) then + if (dEq0(SFE_0K(instance)) .and. & + dEq0(dSFE_dT(instance)) .and. & lattice_structure(phase) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_aTolRho(instance) <= 0.0_pReal) & + if (aTolRho(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_aTolTwinFrac(instance) <= 0.0_pReal) & + if (aTolTwinFrac(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (sum(plastic_dislotwin_Ntrans(:,instance)) > 0_pInt) then - if (dEq0(plastic_dislotwin_SFE_0K(instance)) .and. & - dEq0(plastic_dislotwin_dSFE_dT(instance)) .and. & + if (sum(Ntrans(:,instance)) > 0_pInt) then + if (dEq0(SFE_0K(instance)) .and. & + dEq0(dSFE_dT(instance)) .and. & lattice_structure(phase) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_aTolTransFrac(instance) <= 0.0_pReal) & + if (aTolTransFrac(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (plastic_dislotwin_sbResistance(instance) < 0.0_pReal) & + if (sbResistance(instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_sbVelocity(instance) < 0.0_pReal) & + if (sbVelocity(instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_sbVelocity(instance) > 0.0_pReal .and. & - plastic_dislotwin_pShearBand(instance) <= 0.0_pReal) & + if (sbVelocity(instance) > 0.0_pReal .and. & + pShearBand(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') - if (dNeq0(plastic_dislotwin_dipoleFormationFactor(instance)) .and. & - dNeq(plastic_dislotwin_dipoleFormationFactor(instance), 1.0_pReal)) & + if (dNeq0(dipoleFormationFactor(instance)) .and. & + dNeq(dipoleFormationFactor(instance), 1.0_pReal)) & call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') - if (plastic_dislotwin_sbVelocity(instance) > 0.0_pReal .and. & - plastic_dislotwin_qShearBand(instance) <= 0.0_pReal) & + if (sbVelocity(instance) > 0.0_pReal .and. & + qShearBand(instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') !-------------------------------------------------------------------------------------------------- ! Determine total number of active slip or twin systems - plastic_dislotwin_Nslip(:,instance) = min(lattice_NslipSystem(:,phase),plastic_dislotwin_Nslip(:,instance)) - plastic_dislotwin_Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),plastic_dislotwin_Ntwin(:,instance)) - plastic_dislotwin_Ntrans(:,instance)= min(lattice_NtransSystem(:,phase),plastic_dislotwin_Ntrans(:,instance)) - plastic_dislotwin_totalNslip(instance) = sum(plastic_dislotwin_Nslip(:,instance)) - plastic_dislotwin_totalNtwin(instance) = sum(plastic_dislotwin_Ntwin(:,instance)) - plastic_dislotwin_totalNtrans(instance) = sum(plastic_dislotwin_Ntrans(:,instance)) + Nslip(:,instance) = min(lattice_NslipSystem(:,phase),Nslip(:,instance)) + Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),Ntwin(:,instance)) + Ntrans(:,instance)= min(lattice_NtransSystem(:,phase),Ntrans(:,instance)) + totalNslip(instance) = sum(Nslip(:,instance)) + totalNtwin(instance) = sum(Ntwin(:,instance)) + totalNtrans(instance) = sum(Ntrans(:,instance)) endif myPhase enddo sanityChecks !-------------------------------------------------------------------------------------------------- ! allocation of variables whose size depends on the total number of active slip systems - maxTotalNslip = maxval(plastic_dislotwin_totalNslip) - maxTotalNtwin = maxval(plastic_dislotwin_totalNtwin) - maxTotalNtrans = maxval(plastic_dislotwin_totalNtrans) + maxTotalNslip = maxval(totalNslip) + maxTotalNtwin = maxval(totalNtwin) + maxTotalNtrans = maxval(totalNtrans) - allocate(plastic_dislotwin_burgersPerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_burgersPerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_QedgePerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ndot0PerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_tau_r_twin(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_tau_r_trans(maxTotalNtrans, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_twinsizePerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_CLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_lamellarsizePerTransSystem(maxTotalNtrans, maxNinstance),source=0.0_pReal) + allocate(burgersPerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) + allocate(burgersPerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) + allocate(burgersPerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal) + allocate(QedgePerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) + allocate(v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) + allocate(Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) + allocate(Ndot0PerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal) + allocate(tau_r_twin(maxTotalNtwin, maxNinstance), source=0.0_pReal) + allocate(tau_r_trans(maxTotalNtrans, maxNinstance), source=0.0_pReal) + allocate(twinsizePerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) + allocate(CLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance),source=0.0_pReal) + allocate(lamellarsizePerTransSystem(maxTotalNtrans, maxNinstance),source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_SlipSlip(maxval(plastic_dislotwin_totalNslip),& ! slip resistance from slip activity - maxval(plastic_dislotwin_totalNslip),& + allocate(interactionMatrix_SlipSlip(maxval(totalNslip),& ! slip resistance from slip activity + maxval(totalNslip),& maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_SlipTwin(maxval(plastic_dislotwin_totalNslip),& ! slip resistance from twin activity - maxval(plastic_dislotwin_totalNtwin),& + allocate(interactionMatrix_SlipTwin(maxval(totalNslip),& ! slip resistance from twin activity + maxval(totalNtwin),& maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_TwinSlip(maxval(plastic_dislotwin_totalNtwin),& ! twin resistance from slip activity - maxval(plastic_dislotwin_totalNslip),& + allocate(interactionMatrix_TwinSlip(maxval(totalNtwin),& ! twin resistance from slip activity + maxval(totalNslip),& maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_TwinTwin(maxval(plastic_dislotwin_totalNtwin),& ! twin resistance from twin activity - maxval(plastic_dislotwin_totalNtwin),& + allocate(interactionMatrix_TwinTwin(maxval(totalNtwin),& ! twin resistance from twin activity + maxval(totalNtwin),& maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_SlipTrans(maxval(plastic_dislotwin_totalNslip),& ! slip resistance from trans activity - maxval(plastic_dislotwin_totalNtrans),& + allocate(interactionMatrix_SlipTrans(maxval(totalNslip),& ! slip resistance from trans activity + maxval(totalNtrans),& maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_TransSlip(maxval(plastic_dislotwin_totalNtrans),& ! trans resistance from slip activity - maxval(plastic_dislotwin_totalNslip),& + allocate(interactionMatrix_TransSlip(maxval(totalNtrans),& ! trans resistance from slip activity + maxval(totalNslip),& maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_interactionMatrix_TransTrans(maxval(plastic_dislotwin_totalNtrans),& ! trans resistance from trans activity - maxval(plastic_dislotwin_totalNtrans),& + allocate(interactionMatrix_TransTrans(maxval(totalNtrans),& ! trans resistance from trans activity + maxval(totalNtrans),& maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), & + allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_projectionMatrix_Trans(maxTotalNtrans,maxTotalNslip,maxNinstance), & + allocate(projectionMatrix_Trans(maxTotalNtrans,maxTotalNslip,maxNinstance), & source=0.0_pReal) - allocate(plastic_dislotwin_Ctwin66(6,6,maxTotalNtwin,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ctwin3333(3,3,3,3,maxTotalNtwin,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ctrans66(6,6,maxTotalNtrans,maxNinstance), source=0.0_pReal) - allocate(plastic_dislotwin_Ctrans3333(3,3,3,3,maxTotalNtrans,maxNinstance), source=0.0_pReal) + allocate(Ctwin66(6,6,maxTotalNtwin,maxNinstance), source=0.0_pReal) + allocate(Ctwin3333(3,3,3,3,maxTotalNtwin,maxNinstance), source=0.0_pReal) + allocate(Ctrans66(6,6,maxTotalNtrans,maxNinstance), source=0.0_pReal) + allocate(Ctrans3333(3,3,3,3,maxTotalNtrans,maxNinstance), source=0.0_pReal) allocate(state(maxNinstance)) allocate(state0(maxNinstance)) @@ -859,9 +877,9 @@ subroutine plastic_dislotwin_init(fileUnit) NofMyPhase=count(material_phase==phase) instance = phase_plasticityInstance(phase) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + ns = totalNslip(instance) + nt = totalNtwin(instance) + nr = totalNtrans(instance) !-------------------------------------------------------------------------------------------------- ! Determine size of postResults array @@ -926,9 +944,9 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(phase)%sizeDotState = sizeDotState plasticState(phase)%sizeDeltaState = sizeDeltaState plasticState(phase)%sizePostResults = plastic_dislotwin_sizePostResults(instance) - plasticState(phase)%nSlip = plastic_dislotwin_totalNslip(instance) - plasticState(phase)%nTwin = plastic_dislotwin_totalNtwin(instance) - plasticState(phase)%nTrans= plastic_dislotwin_totalNtrans(instance) + plasticState(phase)%nSlip = totalNslip(instance) + plasticState(phase)%nTwin = totalNtwin(instance) + plasticState(phase)%nTrans= totalNtrans(instance) allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal) allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal) allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) @@ -953,56 +971,56 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process slip related parameters ------------------------------------------------ slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(plastic_dislotwin_Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list - slipSystemsLoop: do j = 1_pInt,plastic_dislotwin_Nslip(f,instance) + index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list + slipSystemsLoop: do j = 1_pInt,Nslip(f,instance) !* Burgers vector, ! dislocation velocity prefactor, ! mean free path prefactor, ! and minimum dipole distance - plastic_dislotwin_burgersPerSlipSystem(index_myFamily+j,instance) = & - plastic_dislotwin_burgersPerSlipFamily(f,instance) + burgersPerSlipSystem(index_myFamily+j,instance) = & + burgersPerSlipFamily(f,instance) - plastic_dislotwin_QedgePerSlipSystem(index_myFamily+j,instance) = & - plastic_dislotwin_QedgePerSlipFamily(f,instance) + QedgePerSlipSystem(index_myFamily+j,instance) = & + QedgePerSlipFamily(f,instance) - plastic_dislotwin_v0PerSlipSystem(index_myFamily+j,instance) = & - plastic_dislotwin_v0PerSlipFamily(f,instance) + v0PerSlipSystem(index_myFamily+j,instance) = & + v0PerSlipFamily(f,instance) - plastic_dislotwin_CLambdaSlipPerSlipSystem(index_myFamily+j,instance) = & - plastic_dislotwin_CLambdaSlipPerSlipFamily(f,instance) + CLambdaSlipPerSlipSystem(index_myFamily+j,instance) = & + CLambdaSlipPerSlipFamily(f,instance) !* Calculation of forest projections for edge dislocations !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(plastic_dislotwin_Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip) - plastic_dislotwin_forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & + index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) + forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,phase))+j,phase), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,phase))+k,phase))) - plastic_dislotwin_interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_SlipSlip(lattice_interactionSlipSlip( & + interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = & + interaction_SlipSlip(lattice_interactionSlipSlip( & sum(lattice_NslipSystem(1:f-1,phase))+j, & sum(lattice_NslipSystem(1:o-1,phase))+k, & phase), instance ) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(plastic_dislotwin_Ntwin(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Ntwin(o,instance) ! loop over (active) systems in other family (twin) - plastic_dislotwin_interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_SlipTwin(lattice_interactionSlipTwin( & + index_otherFamily = sum(Ntwin(1:o-1_pInt,instance)) + do k = 1_pInt,Ntwin(o,instance) ! loop over (active) systems in other family (twin) + interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & + interaction_SlipTwin(lattice_interactionSlipTwin( & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, & phase), instance ) enddo; enddo do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(plastic_dislotwin_Ntrans(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Ntrans(o,instance) ! loop over (active) systems in other family (trans) - plastic_dislotwin_interactionMatrix_SlipTrans(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_SlipTrans(lattice_interactionSlipTrans( & + index_otherFamily = sum(Ntrans(1:o-1_pInt,instance)) + do k = 1_pInt,Ntrans(o,instance) ! loop over (active) systems in other family (trans) + interactionMatrix_SlipTrans(index_myFamily+j,index_otherFamily+k,instance) = & + interaction_SlipTrans(lattice_interactionSlipTrans( & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & sum(lattice_NtransSystem(1:o-1_pInt,phase))+k, & phase), instance ) @@ -1013,28 +1031,28 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process twin related parameters ------------------------------------------------ twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily - index_myFamily = sum(plastic_dislotwin_Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list - twinSystemsLoop: do j = 1_pInt,plastic_dislotwin_Ntwin(f,instance) + index_myFamily = sum(Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list + twinSystemsLoop: do j = 1_pInt,Ntwin(f,instance) !* Burgers vector, ! nucleation rate prefactor, ! and twin size - plastic_dislotwin_burgersPerTwinSystem(index_myFamily+j,instance) = & - plastic_dislotwin_burgersPerTwinFamily(f,instance) + burgersPerTwinSystem(index_myFamily+j,instance) = & + burgersPerTwinFamily(f,instance) - plastic_dislotwin_Ndot0PerTwinSystem(index_myFamily+j,instance) = & - plastic_dislotwin_Ndot0PerTwinFamily(f,instance) + Ndot0PerTwinSystem(index_myFamily+j,instance) = & + Ndot0PerTwinFamily(f,instance) - plastic_dislotwin_twinsizePerTwinSystem(index_myFamily+j,instance) = & - plastic_dislotwin_twinsizePerTwinFamily(f,instance) + twinsizePerTwinSystem(index_myFamily+j,instance) = & + twinsizePerTwinFamily(f,instance) !* Rotate twin elasticity matrices index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! index in full lattice twin list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - plastic_dislotwin_Ctwin3333(l,m,n,o,index_myFamily+j,instance) = & - plastic_dislotwin_Ctwin3333(l,m,n,o,index_myFamily+j,instance) + & + Ctwin3333(l,m,n,o,index_myFamily+j,instance) = & + Ctwin3333(l,m,n,o,index_myFamily+j,instance) + & lattice_C3333(p,q,r,s,phase) * & lattice_Qtwin(l,p,index_otherFamily+j,phase) * & lattice_Qtwin(m,q,index_otherFamily+j,phase) * & @@ -1042,25 +1060,25 @@ subroutine plastic_dislotwin_init(fileUnit) lattice_Qtwin(o,s,index_otherFamily+j,phase) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo - plastic_dislotwin_Ctwin66(1:6,1:6,index_myFamily+j,instance) = & - math_Mandel3333to66(plastic_dislotwin_Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) + Ctwin66(1:6,1:6,index_myFamily+j,instance) = & + math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(plastic_dislotwin_Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip) - plastic_dislotwin_interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_TwinSlip(lattice_interactionTwinSlip( & + index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) + interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & + interaction_TwinSlip(lattice_interactionTwinSlip( & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, & phase), instance ) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(plastic_dislotwin_Ntwin(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Ntwin(o,instance) ! loop over (active) systems in other family (twin) - plastic_dislotwin_interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_TwinTwin(lattice_interactionTwinTwin( & + index_otherFamily = sum(Ntwin(1:o-1_pInt,instance)) + do k = 1_pInt,Ntwin(o,instance) ! loop over (active) systems in other family (twin) + interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & + interaction_TwinTwin(lattice_interactionTwinTwin( & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, & phase), instance ) @@ -1071,28 +1089,28 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process transformation related parameters ------------------------------------------------ transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily - index_myFamily = sum(plastic_dislotwin_Ntrans(1:f-1_pInt,instance)) ! index in truncated trans system list - transSystemsLoop: do j = 1_pInt,plastic_dislotwin_Ntrans(f,instance) + index_myFamily = sum(Ntrans(1:f-1_pInt,instance)) ! index in truncated trans system list + transSystemsLoop: do j = 1_pInt,Ntrans(f,instance) !* Burgers vector, ! nucleation rate prefactor, ! and martensite size - plastic_dislotwin_burgersPerTransSystem(index_myFamily+j,instance) = & - plastic_dislotwin_burgersPerTransFamily(f,instance) + burgersPerTransSystem(index_myFamily+j,instance) = & + burgersPerTransFamily(f,instance) - plastic_dislotwin_Ndot0PerTransSystem(index_myFamily+j,instance) = & - plastic_dislotwin_Ndot0PerTransFamily(f,instance) + Ndot0PerTransSystem(index_myFamily+j,instance) = & + Ndot0PerTransFamily(f,instance) - plastic_dislotwin_lamellarsizePerTransSystem(index_myFamily+j,instance) = & - plastic_dislotwin_lamellarsizePerTransFamily(f,instance) + lamellarsizePerTransSystem(index_myFamily+j,instance) = & + lamellarsizePerTransFamily(f,instance) !* Rotate trans elasticity matrices index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,phase)) ! index in full lattice trans list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - plastic_dislotwin_Ctrans3333(l,m,n,o,index_myFamily+j,instance) = & - plastic_dislotwin_Ctrans3333(l,m,n,o,index_myFamily+j,instance) + & + Ctrans3333(l,m,n,o,index_myFamily+j,instance) = & + Ctrans3333(l,m,n,o,index_myFamily+j,instance) + & lattice_trans_C3333(p,q,r,s,phase) * & lattice_Qtrans(l,p,index_otherFamily+j,phase) * & lattice_Qtrans(m,q,index_otherFamily+j,phase) * & @@ -1100,25 +1118,25 @@ subroutine plastic_dislotwin_init(fileUnit) lattice_Qtrans(o,s,index_otherFamily+j,phase) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo - plastic_dislotwin_Ctrans66(1:6,1:6,index_myFamily+j,instance) = & - math_Mandel3333to66(plastic_dislotwin_Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) + Ctrans66(1:6,1:6,index_myFamily+j,instance) = & + math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(plastic_dislotwin_Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (slip) - plastic_dislotwin_interactionMatrix_TransSlip(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_TransSlip(lattice_interactionTransSlip( & + index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) + interactionMatrix_TransSlip(index_myFamily+j,index_otherFamily+k,instance) = & + interaction_TransSlip(lattice_interactionTransSlip( & sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, & phase), instance ) enddo; enddo do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(plastic_dislotwin_Ntrans(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Ntrans(o,instance) ! loop over (active) systems in other family (trans) - plastic_dislotwin_interactionMatrix_TransTrans(index_myFamily+j,index_otherFamily+k,instance) = & - plastic_dislotwin_interaction_TransTrans(lattice_interactionTransTrans( & + index_otherFamily = sum(Ntrans(1:o-1_pInt,instance)) + do k = 1_pInt,Ntrans(o,instance) ! loop over (active) systems in other family (trans) + interactionMatrix_TransTrans(index_myFamily+j,index_otherFamily+k,instance) = & + interaction_TransTrans(lattice_interactionTransTrans( & sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & sum(lattice_NtransSystem(1:o-1_pInt,phase))+k, & phase), instance ) @@ -1128,9 +1146,9 @@ subroutine plastic_dislotwin_init(fileUnit) select case(trans_lattice_structure(phase)) case (LATTICE_bcc_ID) do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(plastic_dislotwin_Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,plastic_dislotwin_Nslip(o,instance) ! loop over (active) systems in other family (trans) - plastic_dislotwin_projectionMatrix_Trans(index_myFamily+j,index_otherFamily+k,instance) = & + index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (trans) + projectionMatrix_Trans(index_myFamily+j,index_otherFamily+k,instance) = & lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,phase))+j, & sum(lattice_NslipSystem(1:o-1,phase))+k, phase) enddo; enddo @@ -1273,31 +1291,31 @@ subroutine plastic_dislotwin_stateInit(ph,instance) real(pReal), dimension(plasticState(ph)%sizeState) :: tempState integer(pInt) :: i,j,f,ns,nt,nr, index_myFamily - real(pReal), dimension(plastic_dislotwin_totalNslip(instance)) :: & + real(pReal), dimension(totalNslip(instance)) :: & rhoEdge0, & rhoEdgeDip0, & invLambdaSlip0, & MeanFreePathSlip0, & tauSlipThreshold0 - real(pReal), dimension(plastic_dislotwin_totalNtwin(instance)) :: & + real(pReal), dimension(totalNtwin(instance)) :: & MeanFreePathTwin0,TwinVolume0 - real(pReal), dimension(plastic_dislotwin_totalNtrans(instance)) :: & + real(pReal), dimension(totalNtrans(instance)) :: & MeanFreePathTrans0,MartensiteVolume0 tempState = 0.0_pReal - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + ns = totalNslip(instance) + nt = totalNtwin(instance) + nr = totalNtrans(instance) !-------------------------------------------------------------------------------------------------- ! initialize basic slip state variables do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(plastic_dislotwin_Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list + index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list rhoEdge0(index_myFamily+1_pInt: & - index_myFamily+plastic_dislotwin_Nslip(f,instance)) = & - plastic_dislotwin_rhoEdge0(f,instance) + index_myFamily+Nslip(f,instance)) = & + rhoEdge0(f,instance) rhoEdgeDip0(index_myFamily+1_pInt: & - index_myFamily+plastic_dislotwin_Nslip(f,instance)) = & - plastic_dislotwin_rhoEdgeDip0(f,instance) + index_myFamily+Nslip(f,instance)) = & + rhoEdgeDip0(f,instance) enddo tempState(1_pInt:ns) = rhoEdge0 @@ -1306,42 +1324,42 @@ subroutine plastic_dislotwin_stateInit(ph,instance) !-------------------------------------------------------------------------------------------------- ! initialize dependent slip microstructural variables forall (i = 1_pInt:ns) & - invLambdaSlip0(i) = sqrt(dot_product((rhoEdge0+rhoEdgeDip0),plastic_dislotwin_forestProjectionEdge(1:ns,i,instance)))/ & - plastic_dislotwin_CLambdaSlipPerSlipSystem(i,instance) + invLambdaSlip0(i) = sqrt(dot_product((rhoEdge0+rhoEdgeDip0),forestProjectionEdge(1:ns,i,instance)))/ & + CLambdaSlipPerSlipSystem(i,instance) tempState(3_pInt*ns+2_pInt*nt+2_pInt*nr+1:4_pInt*ns+2_pInt*nt+2_pInt*nr) = invLambdaSlip0 forall (i = 1_pInt:ns) & MeanFreePathSlip0(i) = & - plastic_dislotwin_GrainSize(instance)/(1.0_pReal+invLambdaSlip0(i)*plastic_dislotwin_GrainSize(instance)) + GrainSize(instance)/(1.0_pReal+invLambdaSlip0(i)*GrainSize(instance)) tempState(6_pInt*ns+3_pInt*nt+3_pInt*nr+1:7_pInt*ns+3_pInt*nt+3_pInt*nr) = MeanFreePathSlip0 forall (i = 1_pInt:ns) & tauSlipThreshold0(i) = & - lattice_mu(ph)*plastic_dislotwin_burgersPerSlipSystem(i,instance) * & - sqrt(dot_product((rhoEdge0+rhoEdgeDip0),plastic_dislotwin_interactionMatrix_SlipSlip(i,1:ns,instance))) + lattice_mu(ph)*burgersPerSlipSystem(i,instance) * & + sqrt(dot_product((rhoEdge0+rhoEdgeDip0),interactionMatrix_SlipSlip(i,1:ns,instance))) tempState(7_pInt*ns+4_pInt*nt+4_pInt*nr+1:8_pInt*ns+4_pInt*nt+4_pInt*nr) = tauSlipThreshold0 !-------------------------------------------------------------------------------------------------- ! initialize dependent twin microstructural variables forall (j = 1_pInt:nt) & - MeanFreePathTwin0(j) = plastic_dislotwin_GrainSize(instance) + MeanFreePathTwin0(j) = GrainSize(instance) tempState(7_pInt*ns+3_pInt*nt+3_pInt*nr+1_pInt:7_pInt*ns+4_pInt*nt+3_pInt*nr) = MeanFreePathTwin0 forall (j = 1_pInt:nt) & TwinVolume0(j) = & - (pi/4.0_pReal)*plastic_dislotwin_twinsizePerTwinSystem(j,instance)*MeanFreePathTwin0(j)**(2.0_pReal) + (pi/4.0_pReal)*twinsizePerTwinSystem(j,instance)*MeanFreePathTwin0(j)**(2.0_pReal) tempState(8_pInt*ns+5_pInt*nt+5_pInt*nr+1_pInt:8_pInt*ns+6_pInt*nt+5_pInt*nr) = TwinVolume0 !-------------------------------------------------------------------------------------------------- ! initialize dependent trans microstructural variables forall (j = 1_pInt:nr) & - MeanFreePathTrans0(j) = plastic_dislotwin_GrainSize(instance) + MeanFreePathTrans0(j) = GrainSize(instance) tempState(7_pInt*ns+4_pInt*nt+3_pInt*nr+1_pInt:7_pInt*ns+4_pInt*nt+4_pInt*nr) = MeanFreePathTrans0 forall (j = 1_pInt:nr) & MartensiteVolume0(j) = & - (pi/4.0_pReal)*plastic_dislotwin_lamellarsizePerTransSystem(j,instance)*MeanFreePathTrans0(j)**(2.0_pReal) + (pi/4.0_pReal)*lamellarsizePerTransSystem(j,instance)*MeanFreePathTrans0(j)**(2.0_pReal) tempState(8_pInt*ns+6_pInt*nt+5_pInt*nr+1_pInt:8_pInt*ns+6_pInt*nt+6_pInt*nr) = MartensiteVolume0 plasticState(ph)%state0 = spread(tempState,2,size(plasticState(ph)%state(1,:))) @@ -1362,13 +1380,13 @@ subroutine plastic_dislotwin_aTolState(ph,instance) integer(pInt) :: ns, nt, nr - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + ns = totalNslip(instance) + nt = totalNtwin(instance) + nr = totalNtrans(instance) ! Tolerance state for dislocation densities plasticState(ph)%aTolState(1_pInt: & - 2_pInt*ns) = plastic_dislotwin_aTolRho(instance) + 2_pInt*ns) = aTolRho(instance) ! Tolerance state for accumulated shear due to slip plasticState(ph)%aTolState(2_pInt*ns+1_pInt: & @@ -1376,7 +1394,7 @@ subroutine plastic_dislotwin_aTolState(ph,instance) ! Tolerance state for twin volume fraction plasticState(ph)%aTolState(3_pInt*ns+1_pInt: & - 3_pInt*ns+nt) = plastic_dislotwin_aTolTwinFrac(instance) + 3_pInt*ns+nt) = aTolTwinFrac(instance) ! Tolerance state for accumulated shear due to twin plasticState(ph)%aTolState(3_pInt*ns+nt+1_pInt: & @@ -1384,11 +1402,11 @@ subroutine plastic_dislotwin_aTolState(ph,instance) ! Tolerance state for stress-assisted martensite volume fraction plasticState(ph)%aTolState(3_pInt*ns+2_pInt*nt+1_pInt: & - 3_pInt*ns+2_pInt*nt+nr) = plastic_dislotwin_aTolTransFrac(instance) + 3_pInt*ns+2_pInt*nt+nr) = aTolTransFrac(instance) ! Tolerance state for strain-induced martensite volume fraction plasticState(ph)%aTolState(3_pInt*ns+2_pInt*nt+nr+1_pInt: & - 3_pInt*ns+2_pInt*nt+2_pInt*nr) = plastic_dislotwin_aTolTransFrac(instance) + 3_pInt*ns+2_pInt*nt+2_pInt*nr) = aTolTransFrac(instance) end subroutine plastic_dislotwin_aTolState @@ -1420,9 +1438,9 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + ns = totalNslip(instance) + nt = totalNtwin(instance) + nr = totalNtrans(instance) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 @@ -1435,12 +1453,12 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) do i=1_pInt,nt plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + state(instance)%twinFraction(i,of)*plastic_dislotwin_Ctwin66(1:6,1:6,i,instance) + + state(instance)%twinFraction(i,of)*Ctwin66(1:6,1:6,i,instance) enddo do i=1_pInt,nr plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & + (state(instance)%stressTransFraction(i,of) + state(instance)%strainTransFraction(i,of))*& - plastic_dislotwin_Ctrans66(1:6,1:6,i,instance) + Ctrans66(1:6,1:6,i,instance) enddo end function plastic_dislotwin_homogenizedC @@ -1475,17 +1493,17 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) of real(pReal) :: & sumf,sfe,x0,sumftr - real(pReal), dimension(plastic_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: fOverStacksize - real(pReal), dimension(plastic_dislotwin_totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: fOverStacksize + real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & ftransOverLamellarSize !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + ns = totalNslip(instance) + nt = totalNtwin(instance) + nr = totalNtrans(instance) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 @@ -1495,135 +1513,135 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) sum(state(instance)%strainTransFraction(1_pInt:nr,of)) !* Stacking fault energy - sfe = plastic_dislotwin_SFE_0K(instance) + & - plastic_dislotwin_dSFE_dT(instance) * Temperature + sfe = SFE_0K(instance) + & + dSFE_dT(instance) * Temperature !* rescaled twin volume fraction for topology forall (t = 1_pInt:nt) & fOverStacksize(t) = & - state(instance)%twinFraction(t,of)/plastic_dislotwin_twinsizePerTwinSystem(t,instance) + state(instance)%twinFraction(t,of)/twinsizePerTwinSystem(t,instance) !* rescaled trans volume fraction for topology forall (r = 1_pInt:nr) & ftransOverLamellarSize(r) = & (state(instance)%stressTransFraction(r,of)+state(instance)%strainTransFraction(r,of))/& - plastic_dislotwin_lamellarsizePerTransSystem(r,instance) + lamellarsizePerTransSystem(r,instance) !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (s = 1_pInt:ns) & state(instance)%invLambdaSlip(s,of) = & sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& - plastic_dislotwin_forestProjectionEdge(1:ns,s,instance)))/ & - plastic_dislotwin_CLambdaSlipPerSlipSystem(s,instance) + forestProjectionEdge(1:ns,s,instance)))/ & + CLambdaSlipPerSlipSystem(s,instance) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) state(instance)%invLambdaSlipTwin(1_pInt:ns,of) = 0.0_pReal if (nt > 0_pInt .and. ns > 0_pInt) & state(instance)%invLambdaSlipTwin(1_pInt:ns,of) = & - matmul(plastic_dislotwin_interactionMatrix_SlipTwin(1:ns,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) + matmul(interactionMatrix_SlipTwin(1:ns,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) !$OMP END CRITICAL (evilmatmul) !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin !$OMP CRITICAL (evilmatmul) if (nt > 0_pInt) & state(instance)%invLambdaTwin(1_pInt:nt,of) = & - matmul(plastic_dislotwin_interactionMatrix_TwinTwin(1:nt,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) + matmul(interactionMatrix_TwinTwin(1:nt,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) !$OMP END CRITICAL (evilmatmul) !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation state(instance)%invLambdaSlipTrans(1_pInt:ns,of) = 0.0_pReal if (nr > 0_pInt .and. ns > 0_pInt) & state(instance)%invLambdaSlipTrans(1_pInt:ns,of) = & - matmul(plastic_dislotwin_interactionMatrix_SlipTrans(1:ns,1:nr,instance),ftransOverLamellarSize(1:nr))/(1.0_pReal-sumftr) + matmul(interactionMatrix_SlipTrans(1:ns,1:nr,instance),ftransOverLamellarSize(1:nr))/(1.0_pReal-sumftr) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) if (nr > 0_pInt) & state(instance)%invLambdaTrans(1_pInt:nr,of) = & - matmul(plastic_dislotwin_interactionMatrix_TransTrans(1:nr,1:nr,instance),ftransOverLamellarSize(1:nr))/(1.0_pReal-sumftr) + matmul(interactionMatrix_TransTrans(1:nr,1:nr,instance),ftransOverLamellarSize(1:nr))/(1.0_pReal-sumftr) !* mean free path between 2 obstacles seen by a moving dislocation do s = 1_pInt,ns if ((nt > 0_pInt) .or. (nr > 0_pInt)) then state(instance)%mfp_slip(s,of) = & - plastic_dislotwin_GrainSize(instance)/(1.0_pReal+plastic_dislotwin_GrainSize(instance)*& + GrainSize(instance)/(1.0_pReal+GrainSize(instance)*& (state(instance)%invLambdaSlip(s,of) + & state(instance)%invLambdaSlipTwin(s,of) + & state(instance)%invLambdaSlipTrans(s,of))) else state(instance)%mfp_slip(s,of) = & - plastic_dislotwin_GrainSize(instance)/& - (1.0_pReal+plastic_dislotwin_GrainSize(instance)*(state(instance)%invLambdaSlip(s,of))) !!!!!! correct? + GrainSize(instance)/& + (1.0_pReal+GrainSize(instance)*(state(instance)%invLambdaSlip(s,of))) !!!!!! correct? endif enddo !* mean free path between 2 obstacles seen by a growing twin forall (t = 1_pInt:nt) & state(instance)%mfp_twin(t,of) = & - plastic_dislotwin_Cmfptwin(instance)*plastic_dislotwin_GrainSize(instance)/& - (1.0_pReal+plastic_dislotwin_GrainSize(instance)*state(ph)%invLambdaTwin(t,of)) + Cmfptwin(instance)*GrainSize(instance)/& + (1.0_pReal+GrainSize(instance)*state(ph)%invLambdaTwin(t,of)) !* mean free path between 2 obstacles seen by a growing martensite forall (r = 1_pInt:nr) & state(instance)%mfp_trans(r,of) = & - plastic_dislotwin_Cmfptrans(instance)*plastic_dislotwin_GrainSize(instance)/& - (1.0_pReal+plastic_dislotwin_GrainSize(instance)*state(instance)%invLambdaTrans(r,of)) + Cmfptrans(instance)*GrainSize(instance)/& + (1.0_pReal+GrainSize(instance)*state(instance)%invLambdaTrans(r,of)) !* threshold stress for dislocation motion forall (s = 1_pInt:ns) & state(instance)%threshold_stress_slip(s,of) = & - lattice_mu(ph)*plastic_dislotwin_burgersPerSlipSystem(s,instance)*& + lattice_mu(ph)*burgersPerSlipSystem(s,instance)*& sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& - plastic_dislotwin_interactionMatrix_SlipSlip(s,1:ns,instance))) + interactionMatrix_SlipSlip(s,1:ns,instance))) !* threshold stress for growing twin forall (t = 1_pInt:nt) & state(instance)%threshold_stress_twin(t,of) = & - plastic_dislotwin_Cthresholdtwin(instance)* & - (sfe/(3.0_pReal*plastic_dislotwin_burgersPerTwinSystem(t,instance)) & - + 3.0_pReal*plastic_dislotwin_burgersPerTwinSystem(t,instance)*lattice_mu(ph)/& - (plastic_dislotwin_L0_twin(instance)*plastic_dislotwin_burgersPerSlipSystem(t,instance)) & + Cthresholdtwin(instance)* & + (sfe/(3.0_pReal*burgersPerTwinSystem(t,instance)) & + + 3.0_pReal*burgersPerTwinSystem(t,instance)*lattice_mu(ph)/& + (L0_twin(instance)*burgersPerSlipSystem(t,instance)) & ) !* threshold stress for growing martensite forall (r = 1_pInt:nr) & state(instance)%threshold_stress_trans(r,of) = & - plastic_dislotwin_Cthresholdtrans(instance)* & - (sfe/(3.0_pReal*plastic_dislotwin_burgersPerTransSystem(r,instance)) & - + 3.0_pReal*plastic_dislotwin_burgersPerTransSystem(r,instance)*lattice_mu(ph)/& - (plastic_dislotwin_L0_trans(instance)*plastic_dislotwin_burgersPerSlipSystem(r,instance))& - + plastic_dislotwin_transStackHeight(instance)*plastic_dislotwin_deltaG(instance)/ & - (3.0_pReal*plastic_dislotwin_burgersPerTransSystem(r,instance)) & + Cthresholdtrans(instance)* & + (sfe/(3.0_pReal*burgersPerTransSystem(r,instance)) & + + 3.0_pReal*burgersPerTransSystem(r,instance)*lattice_mu(ph)/& + (L0_trans(instance)*burgersPerSlipSystem(r,instance))& + + transStackHeight(instance)*deltaG(instance)/ & + (3.0_pReal*burgersPerTransSystem(r,instance)) & ) !* final twin volume after growth forall (t = 1_pInt:nt) & state(instance)%twinVolume(t,of) = & - (pi/4.0_pReal)*plastic_dislotwin_twinsizePerTwinSystem(t,instance)*& + (pi/4.0_pReal)*twinsizePerTwinSystem(t,instance)*& state(instance)%mfp_twin(t,of)**(2.0_pReal) !* final martensite volume after growth forall (r = 1_pInt:nr) & state(instance)%martensiteVolume(r,of) = & - (pi/4.0_pReal)*plastic_dislotwin_lamellarsizePerTransSystem(r,instance)*& + (pi/4.0_pReal)*lamellarsizePerTransSystem(r,instance)*& state(instance)%mfp_trans(r,of)**(2.0_pReal) !* equilibrium separation of partial dislocations (twin) do t = 1_pInt,nt - x0 = lattice_mu(ph)*plastic_dislotwin_burgersPerTwinSystem(t,instance)**(2.0_pReal)/& + x0 = lattice_mu(ph)*burgersPerTwinSystem(t,instance)**(2.0_pReal)/& (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - plastic_dislotwin_tau_r_twin(t,instance)= & - lattice_mu(ph)*plastic_dislotwin_burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*& - (1/(x0+plastic_dislotwin_xc_twin(instance))+cos(pi/3.0_pReal)/x0) + tau_r_twin(t,instance)= & + lattice_mu(ph)*burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*& + (1/(x0+xc_twin(instance))+cos(pi/3.0_pReal)/x0) enddo !* equilibrium separation of partial dislocations (trans) do r = 1_pInt,nr - x0 = lattice_mu(ph)*plastic_dislotwin_burgersPerTransSystem(r,instance)**(2.0_pReal)/& + x0 = lattice_mu(ph)*burgersPerTransSystem(r,instance)**(2.0_pReal)/& (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - plastic_dislotwin_tau_r_trans(r,instance)= & - lattice_mu(ph)*plastic_dislotwin_burgersPerTransSystem(r,instance)/(2.0_pReal*pi)*& - (1/(x0+plastic_dislotwin_xc_trans(instance))+cos(pi/3.0_pReal)/x0) + tau_r_trans(r,instance)= & + lattice_mu(ph)*burgersPerTransSystem(r,instance)/(2.0_pReal*pi)*& + (1/(x0+xc_trans(instance))+cos(pi/3.0_pReal)/x0) enddo end subroutine plastic_dislotwin_microstructure @@ -1677,11 +1695,11 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0_twin,stressRatio, & Ndot0_trans,StressRatio_s real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 - real(pReal), dimension(plastic_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_slip,dgdot_dtauslip,tau_slip - real(pReal), dimension(plastic_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_twin,dgdot_dtautwin,tau_twin - real(pReal), dimension(plastic_dislotwin_totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_trans,dgdot_dtautrans,tau_trans real(pReal), dimension(6) :: gdot_sb,dgdot_dtausb,tau_sb real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix @@ -1710,9 +1728,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + ns = totalNslip(instance) + nt = totalNtwin(instance) + nr = totalNtrans(instance) Lp = 0.0_pReal dLp_dTstar3333 = 0.0_pReal @@ -1724,7 +1742,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - slipSystemsLoop: do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) + slipSystemsLoop: do i = 1_pInt,Nslip(f,instance) j = j+1_pInt !* Calculation of Lp @@ -1734,27 +1752,27 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** plastic_dislotwin_pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) + (SolidSolutionStrength(instance)+tau_peierlsPerSlipFamily(f,instance))) + StressRatio_p = stressRatio** pPerSlipFamily(f,instance) + StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)*& - plastic_dislotwin_v0PerSlipSystem(j,instance) + state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)*& + v0PerSlipSystem(j,instance) !* Shear rates due to slip gdot_slip(j) = DotGamma0 & - * exp(-BoltzmannRatio*(1-StressRatio_p) ** plastic_dislotwin_qPerSlipFamily(f,instance)) & + * exp(-BoltzmannRatio*(1-StressRatio_p) ** qPerSlipFamily(f,instance)) & * sign(1.0_pReal,tau_slip(j)) !* Derivatives of shear rates dgdot_dtauslip(j) = & - abs(gdot_slip(j))*BoltzmannRatio*plastic_dislotwin_pPerSlipFamily(f,instance)& - *plastic_dislotwin_qPerSlipFamily(f,instance)/& - (plastic_dislotwin_SolidSolutionStrength(instance)+plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))*& - StressRatio_pminus1*(1-StressRatio_p)**(plastic_dislotwin_qPerSlipFamily(f,instance)-1.0_pReal) + abs(gdot_slip(j))*BoltzmannRatio*pPerSlipFamily(f,instance)& + *qPerSlipFamily(f,instance)/& + (SolidSolutionStrength(instance)+tau_peierlsPerSlipFamily(f,instance))*& + StressRatio_pminus1*(1-StressRatio_p)**(qPerSlipFamily(f,instance)-1.0_pReal) endif !* Plastic velocity gradient for dislocation glide @@ -1782,7 +1800,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !-------------------------------------------------------------------------------------------------- ! Shear banding (shearband) part - if(dNeq0(plastic_dislotwin_sbVelocity(instance)) .and. dNeq0(plastic_dislotwin_sbResistance(instance))) then + if(dNeq0(sbVelocity(instance)) .and. dNeq0(sbResistance(instance))) then gdot_sb = 0.0_pReal dgdot_dtausb = 0.0_pReal call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) @@ -1790,38 +1808,38 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) sb_Smatrix = math_tensorproduct33(sb_s,sb_m) - plastic_dislotwin_sbSv(1:6,j,ipc,ip,el) = math_Mandel33to6(math_symmetric33(sb_Smatrix)) + sbSv(1:6,j,ipc,ip,el) = math_Mandel33to6(math_symmetric33(sb_Smatrix)) !* Calculation of Lp !* Resolved shear stress on shear banding system - tau_sb(j) = dot_product(Tstar_v,plastic_dislotwin_sbSv(1:6,j,ipc,ip,el)) + tau_sb(j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) !* Stress ratios if (abs(tau_sb(j)) < tol_math_check) then StressRatio_p = 0.0_pReal StressRatio_pminus1 = 0.0_pReal else - StressRatio_p = (abs(tau_sb(j))/plastic_dislotwin_sbResistance(instance))& - **plastic_dislotwin_pShearBand(instance) - StressRatio_pminus1 = (abs(tau_sb(j))/plastic_dislotwin_sbResistance(instance))& - **(plastic_dislotwin_pShearBand(instance)-1.0_pReal) + StressRatio_p = (abs(tau_sb(j))/sbResistance(instance))& + **pShearBand(instance) + StressRatio_pminus1 = (abs(tau_sb(j))/sbResistance(instance))& + **(pShearBand(instance)-1.0_pReal) endif !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_sbQedge(instance)/(kB*Temperature) + BoltzmannRatio = sbQedge(instance)/(kB*Temperature) !* Initial shear rates - DotGamma0 = plastic_dislotwin_sbVelocity(instance) + DotGamma0 = sbVelocity(instance) !* Shear rates due to shearband gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - plastic_dislotwin_qShearBand(instance))*sign(1.0_pReal,tau_sb(j)) + qShearBand(instance))*sign(1.0_pReal,tau_sb(j)) !* Derivatives of shear rates dgdot_dtausb(j) = & ((abs(gdot_sb(j))*BoltzmannRatio*& - plastic_dislotwin_pShearBand(instance)*plastic_dislotwin_qShearBand(instance))/& - plastic_dislotwin_sbResistance(instance))*& - StressRatio_pminus1*(1_pInt-StressRatio_p)**(plastic_dislotwin_qShearBand(instance)-1.0_pReal) + pShearBand(instance)*qShearBand(instance))/& + sbResistance(instance))*& + StressRatio_pminus1*(1_pInt-StressRatio_p)**(qShearBand(instance)-1.0_pReal) !* Plastic velocity gradient for shear banding Lp = Lp + gdot_sb(j)*sb_Smatrix @@ -1842,7 +1860,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - twinSystemsLoop: do i = 1_pInt,plastic_dislotwin_Ntwin(f,instance) + twinSystemsLoop: do i = 1_pInt,Ntwin(f,instance) j = j+1_pInt !* Calculation of Lp @@ -1851,28 +1869,28 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !* Stress ratios if (tau_twin(j) > tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**plastic_dislotwin_rPerTwinFamily(f,instance) + StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**rPerTwinFamily(f,instance) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_twin(j) < plastic_dislotwin_tau_r_twin(j,instance)) then + if (tau_twin(j) < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_twin(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_twin(j,instance)-tau_twin(j)))) + (L0_twin(instance)*burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (tau_r_twin(j,instance)-tau_twin(j)))) else Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=plastic_dislotwin_Ndot0PerTwinSystem(j,instance) + Ndot0_twin=Ndot0PerTwinSystem(j,instance) end select gdot_twin(j) = & (1.0_pReal-sumf-sumftr)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dgdot_dtautwin(j) = ((gdot_twin(j)*plastic_dislotwin_rPerTwinFamily(f,instance))/tau_twin(j))*StressRatio_r + dgdot_dtautwin(j) = ((gdot_twin(j)*rPerTwinFamily(f,instance))/tau_twin(j))*StressRatio_r endif !* Plastic velocity gradient for mechanical twinning @@ -1893,7 +1911,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - transSystemsLoop: do i = 1_pInt,plastic_dislotwin_Ntrans(f,instance) + transSystemsLoop: do i = 1_pInt,Ntrans(f,instance) j = j+1_pInt !* Resolved shear stress on transformation system @@ -1901,28 +1919,28 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !* Stress ratios if (tau_trans(j) > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**plastic_dislotwin_sPerTransFamily(f,instance) + StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**sPerTransFamily(f,instance) !* Shear rates and their derivatives due to transformation select case(lattice_structure(ph)) case (LATTICE_fcc_ID) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_trans(j) < plastic_dislotwin_tau_r_trans(j,instance)) then + if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_trans(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_trans(j,instance)-tau_trans(j)))) + (L0_trans(instance)*burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (tau_r_trans(j,instance)-tau_trans(j)))) else Ndot0_trans=0.0_pReal end if case default - Ndot0_trans=plastic_dislotwin_Ndot0PerTransSystem(j,instance) + Ndot0_trans=Ndot0PerTransSystem(j,instance) end select gdot_trans(j) = & (1.0_pReal-sumf-sumftr)*& state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) - dgdot_dtautrans(j) = ((gdot_trans(j)*plastic_dislotwin_sPerTransFamily(f,instance))/tau_trans(j))*StressRatio_s + dgdot_dtautrans(j) = ((gdot_trans(j)*sPerTransFamily(f,instance))/tau_trans(j))*StressRatio_s endif !* Plastic velocity gradient for phase transformation @@ -1992,21 +2010,21 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation - real(pReal), dimension(plastic_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_slip,tau_slip - real(pReal), dimension(plastic_dislotwin_totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & tau_twin - real(pReal), dimension(plastic_dislotwin_totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & tau_trans !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + ns = totalNslip(instance) + nt = totalNtwin(instance) + nr = totalNtrans(instance) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 @@ -2021,7 +2039,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j+1_pInt !* Resolved shear stress on slip system @@ -2030,54 +2048,54 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** plastic_dislotwin_pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) + (SolidSolutionStrength(instance)+tau_peierlsPerSlipFamily(f,instance))) + StressRatio_p = stressRatio** pPerSlipFamily(f,instance) + StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - plasticState(ph)%state(j, of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)*& - plastic_dislotwin_v0PerSlipSystem(j,instance) + plasticState(ph)%state(j, of)*burgersPerSlipSystem(j,instance)*& + v0PerSlipSystem(j,instance) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & - plastic_dislotwin_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau_slip(j)) + qPerSlipFamily(f,instance))*sign(1.0_pReal,tau_slip(j)) endif !* Multiplication DotRhoMultiplication = abs(gdot_slip(j))/& - (plastic_dislotwin_burgersPerSlipSystem(j,instance)*state(instance)%mfp_slip(j,of)) + (burgersPerSlipSystem(j,instance)*state(instance)%mfp_slip(j,of)) !* Dipole formation EdgeDipMinDistance = & - plastic_dislotwin_CEdgeDipMinDistance(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance) + CEdgeDipMinDistance(instance)*burgersPerSlipSystem(j,instance) if (dEq0(tau_slip(j))) then DotRhoDipFormation = 0.0_pReal else EdgeDipDistance = & - (3.0_pReal*lattice_mu(ph)*plastic_dislotwin_burgersPerSlipSystem(j,instance))/& + (3.0_pReal*lattice_mu(ph)*burgersPerSlipSystem(j,instance))/& (16.0_pReal*pi*abs(tau_slip(j))) if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) if (EdgeDipDistance tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& - tau_twin(j))**plastic_dislotwin_rPerTwinFamily(f,instance) + tau_twin(j))**rPerTwinFamily(f,instance) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_twin(j) < plastic_dislotwin_tau_r_twin(j,instance)) then + if (tau_twin(j) < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_twin(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_twin(j,instance)-tau_twin(j)))) + (L0_twin(instance)*burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (tau_r_twin(j,instance)-tau_twin(j)))) else Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=plastic_dislotwin_Ndot0PerTwinSystem(j,instance) + Ndot0_twin=Ndot0PerTwinSystem(j,instance) end select dotState(instance)%twinFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& @@ -2149,7 +2167,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNtransFamily ! loop over all trans families index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Ntrans(f,instance) ! process each (active) trans system in family + do i = 1_pInt,Ntrans(f,instance) ! process each (active) trans system in family j = j+1_pInt !* Resolved shear stress on transformation system @@ -2158,23 +2176,23 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios if (tau_trans(j) > tol_math_check) then StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/& - tau_trans(j))**plastic_dislotwin_sPerTransFamily(f,instance) + tau_trans(j))**sPerTransFamily(f,instance) !* Shear rates and their derivatives due to transformation select case(lattice_structure(ph)) case (LATTICE_fcc_ID) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_trans(j) < plastic_dislotwin_tau_r_trans(j,instance)) then + if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_trans(instance)*plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_trans(j,instance)-tau_trans(j)))) + (L0_trans(instance)*burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (tau_r_trans(j,instance)-tau_trans(j)))) else Ndot0_trans=0.0_pReal end if case default - Ndot0_trans=plastic_dislotwin_Ndot0PerTransSystem(j,instance) + Ndot0_trans=Ndot0PerTransSystem(j,instance) end select dotState(instance)%strainTransFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& @@ -2241,7 +2259,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) of real(pReal) :: sumf,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & stressRatio - real(preal), dimension(plastic_dislotwin_totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(preal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & gdot_slip real(pReal), dimension(3,3) :: eigVectors real(pReal), dimension (3) :: eigValues @@ -2250,9 +2268,9 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = plastic_dislotwin_totalNslip(instance) - nt = plastic_dislotwin_totalNtwin(instance) - nr = plastic_dislotwin_totalNtrans(instance) + ns = totalNslip(instance) + nt = totalNtwin(instance) + nr = totalNtrans(instance) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 @@ -2273,7 +2291,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt ! could be taken from state by now! !* Resolved shear stress on slip system @@ -2282,21 +2300,21 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** plastic_dislotwin_pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) + (SolidSolutionStrength(instance)+& + tau_peierlsPerSlipFamily(f,instance))) + StressRatio_p = stressRatio** pPerSlipFamily(f,instance) + StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)* & - plastic_dislotwin_v0PerSlipSystem(j,instance) + state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & + v0PerSlipSystem(j,instance) !* Shear rates due to slip plastic_dislotwin_postResults(c+j) = & DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - plastic_dislotwin_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) + qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) else plastic_dislotwin_postResults(c+j) = 0.0_pReal endif @@ -2315,7 +2333,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) =& dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) @@ -2329,10 +2347,10 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) = & - (3.0_pReal*lattice_mu(ph)*plastic_dislotwin_burgersPerSlipSystem(j,instance))/& + (3.0_pReal*lattice_mu(ph)*burgersPerSlipSystem(j,instance))/& (16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)))) plastic_dislotwin_postResults(c+j)=min(plastic_dislotwin_postResults(c+j),& state(instance)%mfp_slip(j,of)) @@ -2343,30 +2361,30 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) case (resolved_stress_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearband families plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v, & - plastic_dislotwin_sbSv(1:6,j,ipc,ip,el)) + sbSv(1:6,j,ipc,ip,el)) enddo c = c + 6_pInt case (shear_rate_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearbands !* Resolved shear stress on shearband system - tau = dot_product(Tstar_v,plastic_dislotwin_sbSv(1:6,j,ipc,ip,el)) + tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) !* Stress ratios if (abs(tau) < tol_math_check) then StressRatio_p = 0.0_pReal StressRatio_pminus1 = 0.0_pReal else - StressRatio_p = (abs(tau)/plastic_dislotwin_sbResistance(instance))**& - plastic_dislotwin_pShearBand(instance) - StressRatio_pminus1 = (abs(tau)/plastic_dislotwin_sbResistance(instance))**& - (plastic_dislotwin_pShearBand(instance)-1.0_pReal) + StressRatio_p = (abs(tau)/sbResistance(instance))**& + pShearBand(instance) + StressRatio_pminus1 = (abs(tau)/sbResistance(instance))**& + (pShearBand(instance)-1.0_pReal) endif !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_sbQedge(instance)/(kB*Temperature) + BoltzmannRatio = sbQedge(instance)/(kB*Temperature) !* Initial shear rates - DotGamma0 = plastic_dislotwin_sbVelocity(instance) + DotGamma0 = sbVelocity(instance) ! Shear rate due to shear band plastic_dislotwin_postResults(c+j) = & - DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**plastic_dislotwin_qShearBand(instance))*& + DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**qShearBand(instance))*& sign(1.0_pReal,tau) enddo c = c + 6_pInt @@ -2379,7 +2397,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system @@ -2388,23 +2406,23 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance)))& - **plastic_dislotwin_pPerSlipFamily(f,instance) + (SolidSolutionStrength(instance)+& + tau_peierlsPerSlipFamily(f,instance)))& + **pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance)))& - **(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) + (SolidSolutionStrength(instance)+& + tau_peierlsPerSlipFamily(f,instance)))& + **(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)* & - plastic_dislotwin_v0PerSlipSystem(j,instance) + state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & + v0PerSlipSystem(j,instance) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - plastic_dislotwin_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) + qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) else gdot_slip(j) = 0.0_pReal endif @@ -2413,7 +2431,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1,plastic_dislotwin_Ntwin(f,instance) ! process each (active) twin system in family + do i = 1,Ntwin(f,instance) ! process each (active) twin system in family j = j + 1_pInt tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) @@ -2425,23 +2443,23 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) case (LATTICE_fcc_ID) s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau < plastic_dislotwin_tau_r_twin(j,instance)) then + if (tau < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (plastic_dislotwin_L0_twin(instance)*& - plastic_dislotwin_burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-plastic_dislotwin_VcrossSlip(instance)/(kB*Temperature)*& - (plastic_dislotwin_tau_r_twin(j,instance)-tau))) + (L0_twin(instance)*& + burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (tau_r_twin(j,instance)-tau))) else Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=plastic_dislotwin_Ndot0PerTwinSystem(j,instance) + Ndot0_twin=Ndot0PerTwinSystem(j,instance) end select StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & - **plastic_dislotwin_rPerTwinFamily(f,instance) + **rPerTwinFamily(f,instance) plastic_dislotwin_postResults(c+j) = & - (plastic_dislotwin_MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& + (MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) endif @@ -2459,7 +2477,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Ntwin(f,instance) ! process each (active) slip system in family + do i = 1_pInt,Ntwin(f,instance) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) enddo; enddo @@ -2472,7 +2490,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,plastic_dislotwin_Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system @@ -2480,31 +2498,31 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance)))& - **plastic_dislotwin_pPerSlipFamily(f,instance) + (SolidSolutionStrength(instance)+& + tau_peierlsPerSlipFamily(f,instance)))& + **pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance)))& - **(plastic_dislotwin_pPerSlipFamily(f,instance)-1.0_pReal) + (SolidSolutionStrength(instance)+& + tau_peierlsPerSlipFamily(f,instance)))& + **(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = plastic_dislotwin_QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*plastic_dislotwin_burgersPerSlipSystem(j,instance)* & - plastic_dislotwin_v0PerSlipSystem(j,instance) + state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & + v0PerSlipSystem(j,instance) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - plastic_dislotwin_qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) + qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) !* Derivatives of shear rates dgdot_dtauslip = & - abs(gdot_slip(j))*BoltzmannRatio*plastic_dislotwin_pPerSlipFamily(f,instance)& - *plastic_dislotwin_qPerSlipFamily(f,instance)/& - (plastic_dislotwin_SolidSolutionStrength(instance)+& - plastic_dislotwin_tau_peierlsPerSlipFamily(f,instance))*& - StressRatio_pminus1*(1-StressRatio_p)**(plastic_dislotwin_qPerSlipFamily(f,instance)-1.0_pReal) + abs(gdot_slip(j))*BoltzmannRatio*pPerSlipFamily(f,instance)& + *qPerSlipFamily(f,instance)/& + (SolidSolutionStrength(instance)+& + tau_peierlsPerSlipFamily(f,instance))*& + StressRatio_pminus1*(1-StressRatio_p)**(qPerSlipFamily(f,instance)-1.0_pReal) else gdot_slip(j) = 0.0_pReal From 03552b50b7889f4659f4fc8d5e61c32dff7ca8f6 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 3 May 2018 11:08:51 +0200 Subject: [PATCH 002/143] Prefix not needed for private variables --- src/plastic_dislotwin.f90 | 38 +++++++++++++++----------------------- 1 file changed, 15 insertions(+), 23 deletions(-) mode change 100755 => 100644 src/plastic_dislotwin.f90 diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 old mode 100755 new mode 100644 index ca362b54f..c044199a7 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -6,7 +6,7 @@ module plastic_dislotwin use prec, only: & pReal, & pInt - + implicit none private integer(pInt), dimension(:), allocatable, public, protected :: & @@ -25,9 +25,9 @@ module plastic_dislotwin plastic_dislotwin_Noutput !< number of outputs per instance of this plasticity integer(pInt), dimension(:), allocatable, private :: & - totalNslip, & !< total number of active slip systems for each instance - totalNtwin, & !< total number of active twin systems for each instance - totalNtrans !< number of active transformation systems + totalNslip, & !< total number of active slip systems for each instance + totalNtwin, & !< total number of active twin systems for each instance + totalNtrans !< number of active transformation systems integer(pInt), dimension(:,:), allocatable, private :: & Nslip, & !< number of active slip systems for each family and instance @@ -37,9 +37,6 @@ module plastic_dislotwin real(pReal), dimension(:), allocatable, private :: & - !CAtomicVolume, & !< atomic volume in Bugers vector unit - !D0, & !< prefactor for self-diffusion coefficient - !Qsd, & !< activation energy for dislocation climb GrainSize, & !< grain size pShearBand, & !< p-exponent in shearband velocity qShearBand, & !< q-exponent in shearband velocity @@ -157,13 +154,11 @@ module plastic_dislotwin type,private :: tParameters real(pReal) :: & CAtomicVolume, & !< atomic volume in Bugers vector unit - D0, & !< prefactor for self-diffusion coefficient - Qsd, & !< activation energy for dislocation climb + D0, & !< prefactor for self-diffusion coefficient + Qsd !< activation energy for dislocation climb end type - type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) - - + type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type, private :: tDislotwinState @@ -310,9 +305,6 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(totalNslip(maxNinstance), source=0_pInt) allocate(totalNtwin(maxNinstance), source=0_pInt) allocate(totalNtrans(maxNinstance), source=0_pInt) - !allocate(CAtomicVolume(maxNinstance), source=0.0_pReal) - !allocate(D0(maxNinstance), source=0.0_pReal) - !allocate(Qsd(maxNinstance), source=0.0_pReal) allocate(GrainSize(maxNinstance), source=0.0_pReal) allocate(pShearBand(maxNinstance), source=0.0_pReal) allocate(qShearBand(maxNinstance), source=0.0_pReal) @@ -1292,8 +1284,8 @@ subroutine plastic_dislotwin_stateInit(ph,instance) integer(pInt) :: i,j,f,ns,nt,nr, index_myFamily real(pReal), dimension(totalNslip(instance)) :: & - rhoEdge0, & - rhoEdgeDip0, & + rhoEdge0_temp, & + rhoEdgeDip0_temp, & invLambdaSlip0, & MeanFreePathSlip0, & tauSlipThreshold0 @@ -1310,21 +1302,21 @@ subroutine plastic_dislotwin_stateInit(ph,instance) ! initialize basic slip state variables do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list - rhoEdge0(index_myFamily+1_pInt: & + rhoEdge0_temp(index_myFamily+1_pInt: & index_myFamily+Nslip(f,instance)) = & rhoEdge0(f,instance) - rhoEdgeDip0(index_myFamily+1_pInt: & + rhoEdgeDip0_temp(index_myFamily+1_pInt: & index_myFamily+Nslip(f,instance)) = & rhoEdgeDip0(f,instance) enddo - tempState(1_pInt:ns) = rhoEdge0 - tempState(ns+1_pInt:2_pInt*ns) = rhoEdgeDip0 + tempState(1_pInt:ns) = rhoEdge0_temp + tempState(ns+1_pInt:2_pInt*ns) = rhoEdgeDip0_temp !-------------------------------------------------------------------------------------------------- ! initialize dependent slip microstructural variables forall (i = 1_pInt:ns) & - invLambdaSlip0(i) = sqrt(dot_product((rhoEdge0+rhoEdgeDip0),forestProjectionEdge(1:ns,i,instance)))/ & + invLambdaSlip0(i) = sqrt(dot_product((rhoEdge0_temp+rhoEdgeDip0_temp),forestProjectionEdge(1:ns,i,instance)))/ & CLambdaSlipPerSlipSystem(i,instance) tempState(3_pInt*ns+2_pInt*nt+2_pInt*nr+1:4_pInt*ns+2_pInt*nt+2_pInt*nr) = invLambdaSlip0 @@ -1336,7 +1328,7 @@ subroutine plastic_dislotwin_stateInit(ph,instance) forall (i = 1_pInt:ns) & tauSlipThreshold0(i) = & lattice_mu(ph)*burgersPerSlipSystem(i,instance) * & - sqrt(dot_product((rhoEdge0+rhoEdgeDip0),interactionMatrix_SlipSlip(i,1:ns,instance))) + sqrt(dot_product((rhoEdge0_temp+rhoEdgeDip0_temp),interactionMatrix_SlipSlip(i,1:ns,instance))) tempState(7_pInt*ns+4_pInt*nt+4_pInt*nr+1:8_pInt*ns+4_pInt*nt+4_pInt*nr) = tauSlipThreshold0 From 803519c740de5e2d660a6a25e9eb89f8e1c3fe54 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 3 May 2018 13:43:19 +0200 Subject: [PATCH 003/143] simplified reading in and initialization of internal constitutive parameters --- src/plastic_dislotwin.f90 | 264 +++++++++++++++++--------------------- 1 file changed, 121 insertions(+), 143 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index c044199a7..4bedb2540 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -37,32 +37,8 @@ module plastic_dislotwin real(pReal), dimension(:), allocatable, private :: & - GrainSize, & !< grain size - pShearBand, & !< p-exponent in shearband velocity - qShearBand, & !< q-exponent in shearband velocity - MaxTwinFraction, & !< maximum allowed total twin volume fraction - CEdgeDipMinDistance, & !< - Cmfptwin, & !< - Cthresholdtwin, & !< - SolidSolutionStrength, & !< Strength due to elements in solid solution - L0_twin, & !< Length of twin nuclei in Burgers vectors - L0_trans, & !< Length of trans nuclei in Burgers vectors - xc_twin, & !< critical distance for formation of twin nucleus - xc_trans, & !< critical distance for formation of trans nucleus - VcrossSlip, & !< cross slip volume sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) - sbVelocity, & !< value for shearband velocity_0 - sbQedge, & !< value for shearband systems Qedge - SFE_0K, & !< stacking fault energy at zero K - dSFE_dT, & !< temperature dependance of stacking fault energy - dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful - aTolRho, & !< absolute tolerance for integration of dislocation density - aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction - aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction - deltaG, & !< Free energy difference between austensite and martensite - Cmfptrans, & !< - Cthresholdtrans, & !< - transStackHeight !< Stack height of hex nucleus + dipoleFormationFactor !< scaling factor for dipole formation: 0: off, 1: on. other values not useful real(pReal), dimension(:,:,:,:), allocatable, private :: & Ctwin66 !< twin elasticity matrix in Mandel notation for each instance @@ -155,7 +131,33 @@ module plastic_dislotwin real(pReal) :: & CAtomicVolume, & !< atomic volume in Bugers vector unit D0, & !< prefactor for self-diffusion coefficient - Qsd !< activation energy for dislocation climb + Qsd, & !< activation energy for dislocation climb + GrainSize, & ! 0_pInt) then - if (dEq0(SFE_0K(instance)) .and. & - dEq0(dSFE_dT(instance)) .and. & + if (dEq0(param(instance)%SFE_0K) .and. & + dEq0(param(instance)%dSFE_dT) .and. & lattice_structure(phase) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (aTolRho(instance) <= 0.0_pReal) & + if (param(instance)%aTolRho <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') - if (aTolTwinFrac(instance) <= 0.0_pReal) & + if (param(instance)%aTolTwinFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') endif if (sum(Ntrans(:,instance)) > 0_pInt) then - if (dEq0(SFE_0K(instance)) .and. & - dEq0(dSFE_dT(instance)) .and. & + if (dEq0(param(instance)%SFE_0K) .and. & + dEq0(param(instance)%dSFE_dT) .and. & lattice_structure(phase) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (aTolTransFrac(instance) <= 0.0_pReal) & + if (param(instance)%aTolTransFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') endif if (sbResistance(instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') - if (sbVelocity(instance) < 0.0_pReal) & + if (param(instance)%sbVelocity < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') - if (sbVelocity(instance) > 0.0_pReal .and. & - pShearBand(instance) <= 0.0_pReal) & + if (param(instance)%sbVelocity > 0.0_pReal .and. & + param(instance)%pShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') if (dNeq0(dipoleFormationFactor(instance)) .and. & dNeq(dipoleFormationFactor(instance), 1.0_pReal)) & call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') - if (sbVelocity(instance) > 0.0_pReal .and. & - qShearBand(instance) <= 0.0_pReal) & + if (param(instance)%sbVelocity > 0.0_pReal .and. & + param(instance)%qShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') !-------------------------------------------------------------------------------------------------- @@ -1322,7 +1300,7 @@ subroutine plastic_dislotwin_stateInit(ph,instance) forall (i = 1_pInt:ns) & MeanFreePathSlip0(i) = & - GrainSize(instance)/(1.0_pReal+invLambdaSlip0(i)*GrainSize(instance)) + param(instance)%GrainSize/(1.0_pReal+invLambdaSlip0(i)*param(instance)%GrainSize) tempState(6_pInt*ns+3_pInt*nt+3_pInt*nr+1:7_pInt*ns+3_pInt*nt+3_pInt*nr) = MeanFreePathSlip0 forall (i = 1_pInt:ns) & @@ -1335,7 +1313,7 @@ subroutine plastic_dislotwin_stateInit(ph,instance) !-------------------------------------------------------------------------------------------------- ! initialize dependent twin microstructural variables forall (j = 1_pInt:nt) & - MeanFreePathTwin0(j) = GrainSize(instance) + MeanFreePathTwin0(j) = param(instance)%GrainSize tempState(7_pInt*ns+3_pInt*nt+3_pInt*nr+1_pInt:7_pInt*ns+4_pInt*nt+3_pInt*nr) = MeanFreePathTwin0 forall (j = 1_pInt:nt) & @@ -1346,7 +1324,7 @@ subroutine plastic_dislotwin_stateInit(ph,instance) !-------------------------------------------------------------------------------------------------- ! initialize dependent trans microstructural variables forall (j = 1_pInt:nr) & - MeanFreePathTrans0(j) = GrainSize(instance) + MeanFreePathTrans0(j) = param(instance)%GrainSize tempState(7_pInt*ns+4_pInt*nt+3_pInt*nr+1_pInt:7_pInt*ns+4_pInt*nt+4_pInt*nr) = MeanFreePathTrans0 forall (j = 1_pInt:nr) & @@ -1378,7 +1356,7 @@ subroutine plastic_dislotwin_aTolState(ph,instance) ! Tolerance state for dislocation densities plasticState(ph)%aTolState(1_pInt: & - 2_pInt*ns) = aTolRho(instance) + 2_pInt*ns) = param(instance)%aTolRho ! Tolerance state for accumulated shear due to slip plasticState(ph)%aTolState(2_pInt*ns+1_pInt: & @@ -1386,7 +1364,7 @@ subroutine plastic_dislotwin_aTolState(ph,instance) ! Tolerance state for twin volume fraction plasticState(ph)%aTolState(3_pInt*ns+1_pInt: & - 3_pInt*ns+nt) = aTolTwinFrac(instance) + 3_pInt*ns+nt) = param(instance)%aTolTwinFrac ! Tolerance state for accumulated shear due to twin plasticState(ph)%aTolState(3_pInt*ns+nt+1_pInt: & @@ -1394,11 +1372,11 @@ subroutine plastic_dislotwin_aTolState(ph,instance) ! Tolerance state for stress-assisted martensite volume fraction plasticState(ph)%aTolState(3_pInt*ns+2_pInt*nt+1_pInt: & - 3_pInt*ns+2_pInt*nt+nr) = aTolTransFrac(instance) + 3_pInt*ns+2_pInt*nt+nr) = param(instance)%aTolTransFrac ! Tolerance state for strain-induced martensite volume fraction plasticState(ph)%aTolState(3_pInt*ns+2_pInt*nt+nr+1_pInt: & - 3_pInt*ns+2_pInt*nt+2_pInt*nr) = aTolTransFrac(instance) + 3_pInt*ns+2_pInt*nt+2_pInt*nr) = param(instance)%aTolTransFrac end subroutine plastic_dislotwin_aTolState @@ -1505,8 +1483,8 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) sum(state(instance)%strainTransFraction(1_pInt:nr,of)) !* Stacking fault energy - sfe = SFE_0K(instance) + & - dSFE_dT(instance) * Temperature + sfe = param(instance)%SFE_0K + & + param(instance)%dSFE_dT * Temperature !* rescaled twin volume fraction for topology forall (t = 1_pInt:nt) & @@ -1556,28 +1534,28 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) do s = 1_pInt,ns if ((nt > 0_pInt) .or. (nr > 0_pInt)) then state(instance)%mfp_slip(s,of) = & - GrainSize(instance)/(1.0_pReal+GrainSize(instance)*& + param(instance)%GrainSize/(1.0_pReal+param(instance)%GrainSize*& (state(instance)%invLambdaSlip(s,of) + & state(instance)%invLambdaSlipTwin(s,of) + & state(instance)%invLambdaSlipTrans(s,of))) else state(instance)%mfp_slip(s,of) = & - GrainSize(instance)/& - (1.0_pReal+GrainSize(instance)*(state(instance)%invLambdaSlip(s,of))) !!!!!! correct? + param(instance)%GrainSize/& + (1.0_pReal+param(instance)%GrainSize*(state(instance)%invLambdaSlip(s,of))) !!!!!! correct? endif enddo !* mean free path between 2 obstacles seen by a growing twin forall (t = 1_pInt:nt) & state(instance)%mfp_twin(t,of) = & - Cmfptwin(instance)*GrainSize(instance)/& - (1.0_pReal+GrainSize(instance)*state(ph)%invLambdaTwin(t,of)) + param(instance)%Cmfptwin*param(instance)%GrainSize/& + (1.0_pReal+param(instance)%GrainSize*state(ph)%invLambdaTwin(t,of)) !* mean free path between 2 obstacles seen by a growing martensite forall (r = 1_pInt:nr) & state(instance)%mfp_trans(r,of) = & - Cmfptrans(instance)*GrainSize(instance)/& - (1.0_pReal+GrainSize(instance)*state(instance)%invLambdaTrans(r,of)) + param(instance)%Cmfptrans*param(instance)%GrainSize/& + (1.0_pReal+param(instance)%GrainSize*state(instance)%invLambdaTrans(r,of)) !* threshold stress for dislocation motion forall (s = 1_pInt:ns) & @@ -1589,20 +1567,20 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !* threshold stress for growing twin forall (t = 1_pInt:nt) & state(instance)%threshold_stress_twin(t,of) = & - Cthresholdtwin(instance)* & + param(instance)%Cthresholdtwin* & (sfe/(3.0_pReal*burgersPerTwinSystem(t,instance)) & + 3.0_pReal*burgersPerTwinSystem(t,instance)*lattice_mu(ph)/& - (L0_twin(instance)*burgersPerSlipSystem(t,instance)) & + (param(instance)%L0_twin*burgersPerSlipSystem(t,instance)) & ) !* threshold stress for growing martensite forall (r = 1_pInt:nr) & state(instance)%threshold_stress_trans(r,of) = & - Cthresholdtrans(instance)* & + param(instance)%Cthresholdtrans* & (sfe/(3.0_pReal*burgersPerTransSystem(r,instance)) & + 3.0_pReal*burgersPerTransSystem(r,instance)*lattice_mu(ph)/& - (L0_trans(instance)*burgersPerSlipSystem(r,instance))& - + transStackHeight(instance)*deltaG(instance)/ & + (param(instance)%L0_trans*burgersPerSlipSystem(r,instance))& + + param(instance)%transStackHeight*param(instance)%deltaG/ & (3.0_pReal*burgersPerTransSystem(r,instance)) & ) @@ -1624,7 +1602,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) tau_r_twin(t,instance)= & lattice_mu(ph)*burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*& - (1/(x0+xc_twin(instance))+cos(pi/3.0_pReal)/x0) + (1/(x0+param(instance)%xc_twin)+cos(pi/3.0_pReal)/x0) enddo !* equilibrium separation of partial dislocations (trans) @@ -1633,7 +1611,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) tau_r_trans(r,instance)= & lattice_mu(ph)*burgersPerTransSystem(r,instance)/(2.0_pReal*pi)*& - (1/(x0+xc_trans(instance))+cos(pi/3.0_pReal)/x0) + (1/(x0+param(instance)%xc_trans)+cos(pi/3.0_pReal)/x0) enddo end subroutine plastic_dislotwin_microstructure @@ -1744,7 +1722,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (SolidSolutionStrength(instance)+tau_peierlsPerSlipFamily(f,instance))) + (param(instance)%SolidSolutionStrength+tau_peierlsPerSlipFamily(f,instance))) StressRatio_p = stressRatio** pPerSlipFamily(f,instance) StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio @@ -1763,7 +1741,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dgdot_dtauslip(j) = & abs(gdot_slip(j))*BoltzmannRatio*pPerSlipFamily(f,instance)& *qPerSlipFamily(f,instance)/& - (SolidSolutionStrength(instance)+tau_peierlsPerSlipFamily(f,instance))*& + (param(instance)%SolidSolutionStrength+tau_peierlsPerSlipFamily(f,instance))*& StressRatio_pminus1*(1-StressRatio_p)**(qPerSlipFamily(f,instance)-1.0_pReal) endif @@ -1792,7 +1770,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !-------------------------------------------------------------------------------------------------- ! Shear banding (shearband) part - if(dNeq0(sbVelocity(instance)) .and. dNeq0(sbResistance(instance))) then + if(dNeq0(param(instance)%sbVelocity) .and. dNeq0(sbResistance(instance))) then gdot_sb = 0.0_pReal dgdot_dtausb = 0.0_pReal call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) @@ -1812,26 +1790,26 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature StressRatio_pminus1 = 0.0_pReal else StressRatio_p = (abs(tau_sb(j))/sbResistance(instance))& - **pShearBand(instance) + **param(instance)%pShearBand StressRatio_pminus1 = (abs(tau_sb(j))/sbResistance(instance))& - **(pShearBand(instance)-1.0_pReal) + **(param(instance)%pShearBand-1.0_pReal) endif !* Boltzmann ratio - BoltzmannRatio = sbQedge(instance)/(kB*Temperature) + BoltzmannRatio = param(instance)%sbQedge/(kB*Temperature) !* Initial shear rates - DotGamma0 = sbVelocity(instance) + DotGamma0 = param(instance)%sbVelocity !* Shear rates due to shearband gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - qShearBand(instance))*sign(1.0_pReal,tau_sb(j)) + param(instance)%qShearBand)*sign(1.0_pReal,tau_sb(j)) !* Derivatives of shear rates dgdot_dtausb(j) = & ((abs(gdot_sb(j))*BoltzmannRatio*& - pShearBand(instance)*qShearBand(instance))/& + param(instance)%pShearBand*param(instance)%qShearBand)/& sbResistance(instance))*& - StressRatio_pminus1*(1_pInt-StressRatio_p)**(qShearBand(instance)-1.0_pReal) + StressRatio_pminus1*(1_pInt-StressRatio_p)**(param(instance)%qShearBand-1.0_pReal) !* Plastic velocity gradient for shear banding Lp = Lp + gdot_sb(j)*sb_Smatrix @@ -1870,8 +1848,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature if (tau_twin(j) < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (L0_twin(instance)*burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (param(instance)%L0_twin*burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau_twin(j)))) else Ndot0_twin=0.0_pReal @@ -1920,8 +1898,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (L0_trans(instance)*burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (param(instance)%L0_trans*burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (tau_r_trans(j,instance)-tau_trans(j)))) else Ndot0_trans=0.0_pReal @@ -2040,7 +2018,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (SolidSolutionStrength(instance)+tau_peierlsPerSlipFamily(f,instance))) + (param(instance)%SolidSolutionStrength+tau_peierlsPerSlipFamily(f,instance))) StressRatio_p = stressRatio** pPerSlipFamily(f,instance) StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio @@ -2059,7 +2037,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) (burgersPerSlipSystem(j,instance)*state(instance)%mfp_slip(j,of)) !* Dipole formation EdgeDipMinDistance = & - CEdgeDipMinDistance(instance)*burgersPerSlipSystem(j,instance) + param(instance)%CEdgeDipMinDistance*burgersPerSlipSystem(j,instance) if (dEq0(tau_slip(j))) then DotRhoDipFormation = 0.0_pReal else @@ -2136,8 +2114,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if (tau_twin(j) < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (L0_twin(instance)*burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (param(instance)%L0_twin*burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau_twin(j)))) else Ndot0_twin=0.0_pReal @@ -2177,8 +2155,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (L0_trans(instance)*burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (param(instance)%L0_trans*burgersPerSlipSystem(j,instance))*& + (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (tau_r_trans(j,instance)-tau_trans(j)))) else Ndot0_trans=0.0_pReal @@ -2292,7 +2270,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& - (SolidSolutionStrength(instance)+& + (param(instance)%SolidSolutionStrength+& tau_peierlsPerSlipFamily(f,instance))) StressRatio_p = stressRatio** pPerSlipFamily(f,instance) StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) @@ -2366,17 +2344,17 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) StressRatio_pminus1 = 0.0_pReal else StressRatio_p = (abs(tau)/sbResistance(instance))**& - pShearBand(instance) + param(instance)%pShearBand StressRatio_pminus1 = (abs(tau)/sbResistance(instance))**& - (pShearBand(instance)-1.0_pReal) + (param(instance)%pShearBand-1.0_pReal) endif !* Boltzmann ratio - BoltzmannRatio = sbQedge(instance)/(kB*Temperature) + BoltzmannRatio = param(instance)%sbQedge/(kB*Temperature) !* Initial shear rates - DotGamma0 = sbVelocity(instance) + DotGamma0 = param(instance)%sbVelocity ! Shear rate due to shear band plastic_dislotwin_postResults(c+j) = & - DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**qShearBand(instance))*& + DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**param(instance)%qShearBand)*& sign(1.0_pReal,tau) enddo c = c + 6_pInt @@ -2398,11 +2376,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (SolidSolutionStrength(instance)+& + (param(instance)%SolidSolutionStrength+& tau_peierlsPerSlipFamily(f,instance)))& **pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (SolidSolutionStrength(instance)+& + (param(instance)%SolidSolutionStrength+& tau_peierlsPerSlipFamily(f,instance)))& **(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio @@ -2438,9 +2416,9 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if (tau < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (L0_twin(instance)*& + (param(instance)%L0_twin*& burgersPerSlipSystem(j,instance))*& - (1.0_pReal-exp(-VcrossSlip(instance)/(kB*Temperature)*& + (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau))) else Ndot0_twin=0.0_pReal @@ -2451,7 +2429,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & **rPerTwinFamily(f,instance) plastic_dislotwin_postResults(c+j) = & - (MaxTwinFraction(instance)-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& + (param(instance)%MaxTwinFraction-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) endif @@ -2490,11 +2468,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (SolidSolutionStrength(instance)+& + (param(instance)%SolidSolutionStrength+& tau_peierlsPerSlipFamily(f,instance)))& **pPerSlipFamily(f,instance) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (SolidSolutionStrength(instance)+& + (param(instance)%SolidSolutionStrength+& tau_peierlsPerSlipFamily(f,instance)))& **(pPerSlipFamily(f,instance)-1.0_pReal) !* Boltzmann ratio @@ -2512,7 +2490,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) dgdot_dtauslip = & abs(gdot_slip(j))*BoltzmannRatio*pPerSlipFamily(f,instance)& *qPerSlipFamily(f,instance)/& - (SolidSolutionStrength(instance)+& + (param(instance)%SolidSolutionStrength+& tau_peierlsPerSlipFamily(f,instance))*& StressRatio_pminus1*(1-StressRatio_p)**(qPerSlipFamily(f,instance)-1.0_pReal) From 5ba11a796d4236bdaba2e6d2c49b0cb20a0efb0e Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 3 May 2018 17:25:56 +0200 Subject: [PATCH 004/143] Simplified storage of internal constitutive parameters --- src/plastic_dislotwin.f90 | 160 +++++++++++++++++++------------------- 1 file changed, 79 insertions(+), 81 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 4bedb2540..2ac70ca9f 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -29,16 +29,13 @@ module plastic_dislotwin totalNtwin, & !< total number of active twin systems for each instance totalNtrans !< number of active transformation systems - integer(pInt), dimension(:,:), allocatable, private :: & - Nslip, & !< number of active slip systems for each family and instance - Ntwin, & !< number of active twin systems for each family and instance - Ntrans !< number of active transformation systems for each family and instance + !integer(pInt), dimension(:,:), allocatable, private :: & + !Nslip, & !< number of active slip systems for each family and instance + !Ntwin, & !< number of active twin systems for each family and instance + !Ntrans !< number of active transformation systems for each family and instance - real(pReal), dimension(:), allocatable, private :: & - sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) - dipoleFormationFactor !< scaling factor for dipole formation: 0: off, 1: on. other values not useful real(pReal), dimension(:,:,:,:), allocatable, private :: & Ctwin66 !< twin elasticity matrix in Mandel notation for each instance @@ -145,12 +142,12 @@ module plastic_dislotwin xc_twin, & !< critical distance for formation of twin nucleus xc_trans, & !< critical distance for formation of trans nucleus VcrossSlip, & !< cross slip volume - !sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) + sbResistance, & !< value for shearband resistance (might become an internal state variable at some point) sbVelocity, & !< value for shearband velocity_0 sbQedge, & !< value for shearband systems Qedge SFE_0K, & !< stacking fault energy at zero K dSFE_dT, & !< temperature dependance of stacking fault energy - !dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful + dipoleFormationFactor = 1.0_pReal, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful aTolRho, & !< absolute tolerance for integration of dislocation density aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction @@ -158,6 +155,11 @@ module plastic_dislotwin Cmfptrans, & !< Cthresholdtrans, & !< transStackHeight !< Stack height of hex nucleus + + integer(pInt), dimension(:), allocatable, private :: & + Nslip, & !< number of active slip systems for each family and instance + Ntwin, & !< number of active twin systems for each family and instance + Ntrans !< number of active transformation systems for each family and instance end type type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) @@ -301,14 +303,9 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(plastic_dislotwin_Noutput(maxNinstance), source=0_pInt) allocate(param(maxNinstance)) - allocate(Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) - allocate(Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) - allocate(Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) allocate(totalNslip(maxNinstance), source=0_pInt) allocate(totalNtwin(maxNinstance), source=0_pInt) allocate(totalNtrans(maxNinstance), source=0_pInt) - allocate(sbResistance(maxNinstance), source=0.0_pReal) - allocate(dipoleFormationFactor(maxNinstance), source=1.0_pReal) !should be on by default allocate(rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & @@ -518,7 +515,8 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') Nchunks_SlipFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_SlipFamilies - Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) + + param(instance)%Nslip(j) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('rhoedge0','rhoedgedip0','slipburgers','qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip') do j = 1_pInt, Nchunks_SlipFamilies @@ -555,7 +553,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') Nchunks_TwinFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_TwinFamilies - Ntwin(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) + param(instance)%Ntwin(j) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('ndot0_twin','twinsize','twinburgers','r_twin') do j = 1_pInt, Nchunks_TwinFamilies @@ -582,7 +580,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') Nchunks_TransFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_TransFamilies - Ntrans(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) + param(instance)%Ntrans(j) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('ndot0_trans','lamellarsize','transburgers','s_trans') do j = 1_pInt, Nchunks_TransFamilies @@ -689,9 +687,9 @@ subroutine plastic_dislotwin_init(fileUnit) case ('dsfe_dt') param(instance)%dSFE_dT = IO_floatValue(line,chunkPos,2_pInt) case ('dipoleformationfactor') - dipoleFormationFactor(instance) = IO_floatValue(line,chunkPos,2_pInt) + param(instance)%dipoleFormationFactor = IO_floatValue(line,chunkPos,2_pInt) case ('shearbandresistance') - sbResistance(instance) = IO_floatValue(line,chunkPos,2_pInt) + param(instance)%sbResistance = IO_floatValue(line,chunkPos,2_pInt) case ('shearbandvelocity') param(instance)%sbVelocity = IO_floatValue(line,chunkPos,2_pInt) case ('qedgepersbsystem') @@ -711,15 +709,15 @@ subroutine plastic_dislotwin_init(fileUnit) sanityChecks: do phase = 1_pInt, size(phase_plasticity) myPhase: if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then instance = phase_plasticityInstance(phase) - - if (sum(Nslip(:,instance)) < 0_pInt) & + + if (sum(param(instance)%Nslip(:)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Nslip ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(Ntwin(:,instance)) < 0_pInt) & + if (sum(param(instance)%Ntwin(:)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Ntwin ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(Ntrans(:,instance)) < 0_pInt) & + if (sum(param(instance)%Ntrans(:)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Ntrans ('//PLASTICITY_DISLOTWIN_label//')') do f = 1_pInt,lattice_maxNslipFamily - if (Nslip(f,instance) > 0_pInt) then + if (param(instance)%Nslip(f) > 0_pInt) then if (rhoEdge0(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') if (rhoEdgeDip0(f,instance) < 0.0_pReal) & @@ -733,7 +731,7 @@ subroutine plastic_dislotwin_init(fileUnit) endif enddo do f = 1_pInt,lattice_maxNtwinFamily - if (Ntwin(f,instance) > 0_pInt) then + if (param(instance)%Ntwin(f) > 0_pInt) then if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & @@ -746,7 +744,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%Qsd <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(Ntwin(:,instance)) > 0_pInt) then + if (sum(param(instance)%Ntwin(:)) > 0_pInt) then if (dEq0(param(instance)%SFE_0K) .and. & dEq0(param(instance)%dSFE_dT) .and. & lattice_structure(phase) == LATTICE_fcc_ID) & @@ -756,7 +754,7 @@ subroutine plastic_dislotwin_init(fileUnit) if (param(instance)%aTolTwinFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (sum(Ntrans(:,instance)) > 0_pInt) then + if (sum(param(instance)%Ntrans(:)) > 0_pInt) then if (dEq0(param(instance)%SFE_0K) .and. & dEq0(param(instance)%dSFE_dT) .and. & lattice_structure(phase) == LATTICE_fcc_ID) & @@ -764,15 +762,15 @@ subroutine plastic_dislotwin_init(fileUnit) if (param(instance)%aTolTransFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (sbResistance(instance) < 0.0_pReal) & + if (param(instance)%sbResistance < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%sbVelocity < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%sbVelocity > 0.0_pReal .and. & param(instance)%pShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') - if (dNeq0(dipoleFormationFactor(instance)) .and. & - dNeq(dipoleFormationFactor(instance), 1.0_pReal)) & + if (dNeq0(param(instance)%dipoleFormationFactor) .and. & + dNeq(param(instance)%dipoleFormationFactor, 1.0_pReal)) & call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%sbVelocity > 0.0_pReal .and. & param(instance)%qShearBand <= 0.0_pReal) & @@ -780,12 +778,12 @@ subroutine plastic_dislotwin_init(fileUnit) !-------------------------------------------------------------------------------------------------- ! Determine total number of active slip or twin systems - Nslip(:,instance) = min(lattice_NslipSystem(:,phase),Nslip(:,instance)) - Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),Ntwin(:,instance)) - Ntrans(:,instance)= min(lattice_NtransSystem(:,phase),Ntrans(:,instance)) - totalNslip(instance) = sum(Nslip(:,instance)) - totalNtwin(instance) = sum(Ntwin(:,instance)) - totalNtrans(instance) = sum(Ntrans(:,instance)) + param(instance)%Nslip(:) = min(lattice_NslipSystem(:,phase),param(instance)%Nslip(:)) + param(instance)%Ntwin(:) = min(lattice_NtwinSystem(:,phase),param(instance)%Ntwin(:)) + param(instance)%Ntrans(:)= min(lattice_NtransSystem(:,phase),param(instance)%Ntrans(:)) + totalNslip(instance) = sum(param(instance)%Nslip(:)) + totalNtwin(instance) = sum(param(instance)%Ntwin(:)) + totalNtrans(instance) = sum(param(instance)%Ntrans(:)) endif myPhase enddo sanityChecks @@ -941,8 +939,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process slip related parameters ------------------------------------------------ slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list - slipSystemsLoop: do j = 1_pInt,Nslip(f,instance) + index_myFamily = sum(param(instance)%Nslip(1:f-1_pInt)) ! index in truncated slip system list + slipSystemsLoop: do j = 1_pInt,param(instance)%Nslip(f) !* Burgers vector, ! dislocation velocity prefactor, @@ -964,8 +962,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Calculation of forest projections for edge dislocations !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) + index_otherFamily = sum(param(instance)%Nslip(1:o-1_pInt)) + do k = 1_pInt,param(instance)%Nslip(o) ! loop over (active) systems in other family (slip) forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,phase))+j,phase), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,phase))+k,phase))) @@ -977,8 +975,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(Ntwin(1:o-1_pInt,instance)) - do k = 1_pInt,Ntwin(o,instance) ! loop over (active) systems in other family (twin) + index_otherFamily = sum(param(instance)%Ntwin(1:o-1_pInt)) + do k = 1_pInt,param(instance)%Ntwin(o) ! loop over (active) systems in other family (twin) interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & interaction_SlipTwin(lattice_interactionSlipTwin( & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & @@ -987,8 +985,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(Ntrans(1:o-1_pInt,instance)) - do k = 1_pInt,Ntrans(o,instance) ! loop over (active) systems in other family (trans) + index_otherFamily = sum(param(instance)%Ntrans(1:o-1_pInt)) + do k = 1_pInt,param(instance)%Ntrans(o) ! loop over (active) systems in other family (trans) interactionMatrix_SlipTrans(index_myFamily+j,index_otherFamily+k,instance) = & interaction_SlipTrans(lattice_interactionSlipTrans( & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & @@ -1001,8 +999,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process twin related parameters ------------------------------------------------ twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily - index_myFamily = sum(Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list - twinSystemsLoop: do j = 1_pInt,Ntwin(f,instance) + index_myFamily = sum(param(instance)%Ntwin(1:f-1_pInt)) ! index in truncated twin system list + twinSystemsLoop: do j = 1_pInt,param(instance)%Ntwin(f) !* Burgers vector, ! nucleation rate prefactor, @@ -1035,8 +1033,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) + index_otherFamily = sum(param(instance)%Nslip(1:o-1_pInt)) + do k = 1_pInt,param(instance)%Nslip(o) ! loop over (active) systems in other family (slip) interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & interaction_TwinSlip(lattice_interactionTwinSlip( & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & @@ -1045,8 +1043,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(Ntwin(1:o-1_pInt,instance)) - do k = 1_pInt,Ntwin(o,instance) ! loop over (active) systems in other family (twin) + index_otherFamily = sum(param(instance)%Ntwin(1:o-1_pInt)) + do k = 1_pInt,param(instance)%Ntwin(o) ! loop over (active) systems in other family (twin) interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & interaction_TwinTwin(lattice_interactionTwinTwin( & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & @@ -1059,8 +1057,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process transformation related parameters ------------------------------------------------ transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily - index_myFamily = sum(Ntrans(1:f-1_pInt,instance)) ! index in truncated trans system list - transSystemsLoop: do j = 1_pInt,Ntrans(f,instance) + index_myFamily = sum(param(instance)%Ntrans(1:f-1_pInt)) ! index in truncated trans system list + transSystemsLoop: do j = 1_pInt,param(instance)%Ntrans(f) !* Burgers vector, ! nucleation rate prefactor, @@ -1093,8 +1091,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) + index_otherFamily = sum(param(instance)%Nslip(1:o-1_pInt)) + do k = 1_pInt,param(instance)%Nslip(o) ! loop over (active) systems in other family (slip) interactionMatrix_TransSlip(index_myFamily+j,index_otherFamily+k,instance) = & interaction_TransSlip(lattice_interactionTransSlip( & sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & @@ -1103,8 +1101,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(Ntrans(1:o-1_pInt,instance)) - do k = 1_pInt,Ntrans(o,instance) ! loop over (active) systems in other family (trans) + index_otherFamily = sum(param(instance)%Ntrans(1:o-1_pInt)) + do k = 1_pInt,param(instance)%Ntrans(o) ! loop over (active) systems in other family (trans) interactionMatrix_TransTrans(index_myFamily+j,index_otherFamily+k,instance) = & interaction_TransTrans(lattice_interactionTransTrans( & sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & @@ -1116,8 +1114,8 @@ subroutine plastic_dislotwin_init(fileUnit) select case(trans_lattice_structure(phase)) case (LATTICE_bcc_ID) do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (trans) + index_otherFamily = sum(param(instance)%Nslip(1:o-1_pInt)) + do k = 1_pInt,param(instance)%Nslip(o) ! loop over (active) systems in other family (trans) projectionMatrix_Trans(index_myFamily+j,index_otherFamily+k,instance) = & lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,phase))+j, & sum(lattice_NslipSystem(1:o-1,phase))+k, phase) @@ -1279,12 +1277,12 @@ subroutine plastic_dislotwin_stateInit(ph,instance) !-------------------------------------------------------------------------------------------------- ! initialize basic slip state variables do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list + index_myFamily = sum(param(instance)%Nslip(1:f-1_pInt)) ! index in truncated slip system list rhoEdge0_temp(index_myFamily+1_pInt: & - index_myFamily+Nslip(f,instance)) = & + index_myFamily+param(instance)%Nslip(f)) = & rhoEdge0(f,instance) rhoEdgeDip0_temp(index_myFamily+1_pInt: & - index_myFamily+Nslip(f,instance)) = & + index_myFamily+param(instance)%Nslip(f)) = & rhoEdgeDip0(f,instance) enddo @@ -1712,7 +1710,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - slipSystemsLoop: do i = 1_pInt,Nslip(f,instance) + slipSystemsLoop: do i = 1_pInt,param(instance)%Nslip(f) j = j+1_pInt !* Calculation of Lp @@ -1770,7 +1768,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !-------------------------------------------------------------------------------------------------- ! Shear banding (shearband) part - if(dNeq0(param(instance)%sbVelocity) .and. dNeq0(sbResistance(instance))) then + if(dNeq0(param(instance)%sbVelocity) .and. dNeq0(param(instance)%sbResistance)) then gdot_sb = 0.0_pReal dgdot_dtausb = 0.0_pReal call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) @@ -1789,9 +1787,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature StressRatio_p = 0.0_pReal StressRatio_pminus1 = 0.0_pReal else - StressRatio_p = (abs(tau_sb(j))/sbResistance(instance))& + StressRatio_p = (abs(tau_sb(j))/param(instance)%sbResistance)& **param(instance)%pShearBand - StressRatio_pminus1 = (abs(tau_sb(j))/sbResistance(instance))& + StressRatio_pminus1 = (abs(tau_sb(j))/param(instance)%sbResistance)& **(param(instance)%pShearBand-1.0_pReal) endif @@ -1808,7 +1806,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dgdot_dtausb(j) = & ((abs(gdot_sb(j))*BoltzmannRatio*& param(instance)%pShearBand*param(instance)%qShearBand)/& - sbResistance(instance))*& + param(instance)%sbResistance)*& StressRatio_pminus1*(1_pInt-StressRatio_p)**(param(instance)%qShearBand-1.0_pReal) !* Plastic velocity gradient for shear banding @@ -1830,7 +1828,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - twinSystemsLoop: do i = 1_pInt,Ntwin(f,instance) + twinSystemsLoop: do i = 1_pInt,param(instance)%Ntwin(f) j = j+1_pInt !* Calculation of Lp @@ -1881,7 +1879,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - transSystemsLoop: do i = 1_pInt,Ntrans(f,instance) + transSystemsLoop: do i = 1_pInt,param(instance)%Ntrans(f) j = j+1_pInt !* Resolved shear stress on transformation system @@ -2009,7 +2007,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,param(instance)%Nslip(f) ! process each (active) slip system in family j = j+1_pInt !* Resolved shear stress on slip system @@ -2048,7 +2046,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if (EdgeDipDistance Date: Thu, 3 May 2018 18:05:59 +0200 Subject: [PATCH 005/143] Two statements that are repeated while reading the file - in "the output case"-is placed properly plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt , & plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = IO_lc(IO_stringValue(line,chunkPos,2_pInt)) --- src/plastic_dislotwin.f90 | 118 +++++++++++++++----------------------- 1 file changed, 47 insertions(+), 71 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 2ac70ca9f..478fbe04a 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -29,11 +29,6 @@ module plastic_dislotwin totalNtwin, & !< total number of active twin systems for each instance totalNtrans !< number of active transformation systems - !integer(pInt), dimension(:,:), allocatable, private :: & - !Nslip, & !< number of active slip systems for each family and instance - !Ntwin, & !< number of active twin systems for each family and instance - !Ntrans !< number of active transformation systems for each family and instance - @@ -394,117 +389,98 @@ subroutine plastic_dislotwin_init(fileUnit) tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key select case(tag) case ('(output)') + plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & + IO_lc(IO_stringValue(line,chunkPos,2_pInt)) select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt))) case ('edge_density') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = edge_density_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('dipole_density') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = dipole_density_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('shear_rate_slip','shearrate_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('accumulated_shear_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('mfp_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('resolved_stress_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('threshold_stress_slip') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_slip_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('edge_dipole_distance') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = edge_dipole_distance_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('stress_exponent') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = stress_exponent_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('twin_fraction') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = twin_fraction_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('shear_rate_twin','shearrate_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('accumulated_shear_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('mfp_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('resolved_stress_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('threshold_stress_twin') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_twin_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('resolved_stress_shearband') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_shearband_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('shear_rate_shearband','shearrate_shearband') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_shearband_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('sb_eigenvalues') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvalues_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('sb_eigenvectors') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvectors_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('stress_trans_fraction') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = stress_trans_fraction_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('strain_trans_fraction') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = strain_trans_fraction_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + case ('trans_fraction','total_trans_fraction') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = trans_fraction_ID - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + end select !-------------------------------------------------------------------------------------------------- ! parameters depending on number of slip system families From 12a0125121cf236ad0b5f8fb62a02c8ac46ff9cc Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Tue, 8 May 2018 16:26:49 +0200 Subject: [PATCH 006/143] Error caused by Ntslip,Ntwin and Ntrans removed by reverting it back to original form - a 2 D array and not in the blackbox(param) --- src/plastic_dislotwin.f90 | 128 ++++++++++++++++++++------------------ 1 file changed, 68 insertions(+), 60 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 478fbe04a..b57f5811c 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -29,8 +29,10 @@ module plastic_dislotwin totalNtwin, & !< total number of active twin systems for each instance totalNtrans !< number of active transformation systems - - + integer(pInt), dimension(:,:), allocatable, private :: & + Nslip, & + Ntwin, & + Ntrans real(pReal), dimension(:,:,:,:), allocatable, private :: & Ctwin66 !< twin elasticity matrix in Mandel notation for each instance @@ -151,10 +153,10 @@ module plastic_dislotwin Cthresholdtrans, & !< transStackHeight !< Stack height of hex nucleus - integer(pInt), dimension(:), allocatable, private :: & - Nslip, & !< number of active slip systems for each family and instance - Ntwin, & !< number of active twin systems for each family and instance - Ntrans !< number of active transformation systems for each family and instance + !integer(pInt), dimension(:), allocatable, private :: & + ! Nslip, & !< number of active slip systems for each family and instance + ! Ntwin, & !< number of active twin systems for each family and instance + ! Ntrans !< number of active transformation systems for each family and instance end type type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) @@ -301,6 +303,12 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(totalNslip(maxNinstance), source=0_pInt) allocate(totalNtwin(maxNinstance), source=0_pInt) allocate(totalNtrans(maxNinstance), source=0_pInt) + allocate(Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) + allocate(Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) + allocate(Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) + + + allocate(rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & @@ -492,7 +500,7 @@ subroutine plastic_dislotwin_init(fileUnit) Nchunks_SlipFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_SlipFamilies - param(instance)%Nslip(j) = IO_intValue(line,chunkPos,1_pInt+j) + Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('rhoedge0','rhoedgedip0','slipburgers','qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip') do j = 1_pInt, Nchunks_SlipFamilies @@ -529,7 +537,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') Nchunks_TwinFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_TwinFamilies - param(instance)%Ntwin(j) = IO_intValue(line,chunkPos,1_pInt+j) + Ntwin(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('ndot0_twin','twinsize','twinburgers','r_twin') do j = 1_pInt, Nchunks_TwinFamilies @@ -556,7 +564,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') Nchunks_TransFamilies = chunkPos(1) - 1_pInt do j = 1_pInt, Nchunks_TransFamilies - param(instance)%Ntrans(j) = IO_intValue(line,chunkPos,1_pInt+j) + Ntrans(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo case ('ndot0_trans','lamellarsize','transburgers','s_trans') do j = 1_pInt, Nchunks_TransFamilies @@ -686,14 +694,14 @@ subroutine plastic_dislotwin_init(fileUnit) myPhase: if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then instance = phase_plasticityInstance(phase) - if (sum(param(instance)%Nslip(:)) < 0_pInt) & + if (sum(Nslip(:,instance)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Nslip ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(param(instance)%Ntwin(:)) < 0_pInt) & + if (sum(Ntwin(:,instance)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Ntwin ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(param(instance)%Ntrans(:)) < 0_pInt) & + if (sum(Ntrans(:,instance)) < 0_pInt) & call IO_error(211_pInt,el=instance,ext_msg='Ntrans ('//PLASTICITY_DISLOTWIN_label//')') do f = 1_pInt,lattice_maxNslipFamily - if (param(instance)%Nslip(f) > 0_pInt) then + if (Nslip(f,instance) > 0_pInt) then if (rhoEdge0(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') if (rhoEdgeDip0(f,instance) < 0.0_pReal) & @@ -707,7 +715,7 @@ subroutine plastic_dislotwin_init(fileUnit) endif enddo do f = 1_pInt,lattice_maxNtwinFamily - if (param(instance)%Ntwin(f) > 0_pInt) then + if (Ntwin(f,instance) > 0_pInt) then if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & @@ -720,7 +728,7 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%Qsd <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(param(instance)%Ntwin(:)) > 0_pInt) then + if (sum(Ntwin(:,instance)) > 0_pInt) then if (dEq0(param(instance)%SFE_0K) .and. & dEq0(param(instance)%dSFE_dT) .and. & lattice_structure(phase) == LATTICE_fcc_ID) & @@ -730,7 +738,7 @@ subroutine plastic_dislotwin_init(fileUnit) if (param(instance)%aTolTwinFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (sum(param(instance)%Ntrans(:)) > 0_pInt) then + if (sum(Ntrans(:,instance)) > 0_pInt) then if (dEq0(param(instance)%SFE_0K) .and. & dEq0(param(instance)%dSFE_dT) .and. & lattice_structure(phase) == LATTICE_fcc_ID) & @@ -754,12 +762,12 @@ subroutine plastic_dislotwin_init(fileUnit) !-------------------------------------------------------------------------------------------------- ! Determine total number of active slip or twin systems - param(instance)%Nslip(:) = min(lattice_NslipSystem(:,phase),param(instance)%Nslip(:)) - param(instance)%Ntwin(:) = min(lattice_NtwinSystem(:,phase),param(instance)%Ntwin(:)) - param(instance)%Ntrans(:)= min(lattice_NtransSystem(:,phase),param(instance)%Ntrans(:)) - totalNslip(instance) = sum(param(instance)%Nslip(:)) - totalNtwin(instance) = sum(param(instance)%Ntwin(:)) - totalNtrans(instance) = sum(param(instance)%Ntrans(:)) + Nslip(:,instance) = min(lattice_NslipSystem(:,phase),Nslip(:,instance)) + Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),Ntwin(:,instance)) + Ntrans(:,instance)= min(lattice_NtransSystem(:,phase),Ntrans(:,instance)) + totalNslip(instance) = sum(Nslip(:,instance)) + totalNtwin(instance) = sum(Ntwin(:,instance)) + totalNtrans(instance) = sum(Ntrans(:,instance)) endif myPhase enddo sanityChecks @@ -915,8 +923,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process slip related parameters ------------------------------------------------ slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(param(instance)%Nslip(1:f-1_pInt)) ! index in truncated slip system list - slipSystemsLoop: do j = 1_pInt,param(instance)%Nslip(f) + index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list + slipSystemsLoop: do j = 1_pInt,Nslip(f,instance) !* Burgers vector, ! dislocation velocity prefactor, @@ -938,8 +946,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Calculation of forest projections for edge dislocations !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(param(instance)%Nslip(1:o-1_pInt)) - do k = 1_pInt,param(instance)%Nslip(o) ! loop over (active) systems in other family (slip) + index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,phase))+j,phase), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,phase))+k,phase))) @@ -951,8 +959,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(param(instance)%Ntwin(1:o-1_pInt)) - do k = 1_pInt,param(instance)%Ntwin(o) ! loop over (active) systems in other family (twin) + index_otherFamily = sum(Ntwin(1:o-1_pInt,instance)) + do k = 1_pInt,Ntwin(o,instance) ! loop over (active) systems in other family (twin) interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & interaction_SlipTwin(lattice_interactionSlipTwin( & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & @@ -961,8 +969,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(param(instance)%Ntrans(1:o-1_pInt)) - do k = 1_pInt,param(instance)%Ntrans(o) ! loop over (active) systems in other family (trans) + index_otherFamily = sum(Ntrans(1:o-1_pInt,instance)) + do k = 1_pInt,Ntrans(o,instance) ! loop over (active) systems in other family (trans) interactionMatrix_SlipTrans(index_myFamily+j,index_otherFamily+k,instance) = & interaction_SlipTrans(lattice_interactionSlipTrans( & sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & @@ -975,8 +983,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process twin related parameters ------------------------------------------------ twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily - index_myFamily = sum(param(instance)%Ntwin(1:f-1_pInt)) ! index in truncated twin system list - twinSystemsLoop: do j = 1_pInt,param(instance)%Ntwin(f) + index_myFamily = sum(Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list + twinSystemsLoop: do j = 1_pInt,Ntwin(f,instance) !* Burgers vector, ! nucleation rate prefactor, @@ -1009,8 +1017,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(param(instance)%Nslip(1:o-1_pInt)) - do k = 1_pInt,param(instance)%Nslip(o) ! loop over (active) systems in other family (slip) + index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & interaction_TwinSlip(lattice_interactionTwinSlip( & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & @@ -1019,8 +1027,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(param(instance)%Ntwin(1:o-1_pInt)) - do k = 1_pInt,param(instance)%Ntwin(o) ! loop over (active) systems in other family (twin) + index_otherFamily = sum(Ntwin(1:o-1_pInt,instance)) + do k = 1_pInt,Ntwin(o,instance) ! loop over (active) systems in other family (twin) interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & interaction_TwinTwin(lattice_interactionTwinTwin( & sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & @@ -1033,8 +1041,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process transformation related parameters ------------------------------------------------ transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily - index_myFamily = sum(param(instance)%Ntrans(1:f-1_pInt)) ! index in truncated trans system list - transSystemsLoop: do j = 1_pInt,param(instance)%Ntrans(f) + index_myFamily = sum(Ntrans(1:f-1_pInt,instance)) ! index in truncated trans system list + transSystemsLoop: do j = 1_pInt,Ntrans(f,instance) !* Burgers vector, ! nucleation rate prefactor, @@ -1067,8 +1075,8 @@ subroutine plastic_dislotwin_init(fileUnit) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(param(instance)%Nslip(1:o-1_pInt)) - do k = 1_pInt,param(instance)%Nslip(o) ! loop over (active) systems in other family (slip) + index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) interactionMatrix_TransSlip(index_myFamily+j,index_otherFamily+k,instance) = & interaction_TransSlip(lattice_interactionTransSlip( & sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & @@ -1077,8 +1085,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(param(instance)%Ntrans(1:o-1_pInt)) - do k = 1_pInt,param(instance)%Ntrans(o) ! loop over (active) systems in other family (trans) + index_otherFamily = sum(Ntrans(1:o-1_pInt,instance)) + do k = 1_pInt,Ntrans(o,instance) ! loop over (active) systems in other family (trans) interactionMatrix_TransTrans(index_myFamily+j,index_otherFamily+k,instance) = & interaction_TransTrans(lattice_interactionTransTrans( & sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & @@ -1090,8 +1098,8 @@ subroutine plastic_dislotwin_init(fileUnit) select case(trans_lattice_structure(phase)) case (LATTICE_bcc_ID) do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(param(instance)%Nslip(1:o-1_pInt)) - do k = 1_pInt,param(instance)%Nslip(o) ! loop over (active) systems in other family (trans) + index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) + do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (trans) projectionMatrix_Trans(index_myFamily+j,index_otherFamily+k,instance) = & lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,phase))+j, & sum(lattice_NslipSystem(1:o-1,phase))+k, phase) @@ -1253,12 +1261,12 @@ subroutine plastic_dislotwin_stateInit(ph,instance) !-------------------------------------------------------------------------------------------------- ! initialize basic slip state variables do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(param(instance)%Nslip(1:f-1_pInt)) ! index in truncated slip system list + index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list rhoEdge0_temp(index_myFamily+1_pInt: & - index_myFamily+param(instance)%Nslip(f)) = & + index_myFamily+Nslip(f,instance)) = & rhoEdge0(f,instance) rhoEdgeDip0_temp(index_myFamily+1_pInt: & - index_myFamily+param(instance)%Nslip(f)) = & + index_myFamily+Nslip(f,instance)) = & rhoEdgeDip0(f,instance) enddo @@ -1686,7 +1694,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - slipSystemsLoop: do i = 1_pInt,param(instance)%Nslip(f) + slipSystemsLoop: do i = 1_pInt,Nslip(f,instance) j = j+1_pInt !* Calculation of Lp @@ -1804,7 +1812,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - twinSystemsLoop: do i = 1_pInt,param(instance)%Ntwin(f) + twinSystemsLoop: do i = 1_pInt,Ntwin(f,instance) j = j+1_pInt !* Calculation of Lp @@ -1855,7 +1863,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature j = 0_pInt transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - transSystemsLoop: do i = 1_pInt,param(instance)%Ntrans(f) + transSystemsLoop: do i = 1_pInt,Ntrans(f,instance) j = j+1_pInt !* Resolved shear stress on transformation system @@ -1983,7 +1991,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Nslip(f) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j+1_pInt !* Resolved shear stress on slip system @@ -2071,7 +2079,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Ntwin(f) ! process each (active) twin system in family + do i = 1_pInt,Ntwin(f,instance) ! process each (active) twin system in family j = j+1_pInt !* Resolved shear stress on twin system @@ -2111,7 +2119,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNtransFamily ! loop over all trans families index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Ntrans(f) ! process each (active) trans system in family + do i = 1_pInt,Ntrans(f,instance) ! process each (active) trans system in family j = j+1_pInt !* Resolved shear stress on transformation system @@ -2235,7 +2243,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Nslip(f) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt ! could be taken from state by now! !* Resolved shear stress on slip system @@ -2277,7 +2285,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Nslip(f) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) =& dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) @@ -2291,7 +2299,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Nslip(f) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) = & (3.0_pReal*lattice_mu(ph)*burgersPerSlipSystem(j,instance))/& @@ -2341,7 +2349,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Nslip(f) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system @@ -2375,7 +2383,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1,param(instance)%Ntwin(f) ! process each (active) twin system in family + do i = 1,Ntwin(f,instance) ! process each (active) twin system in family j = j + 1_pInt tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) @@ -2421,7 +2429,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Ntwin(f) ! process each (active) slip system in family + do i = 1_pInt,Ntwin(f,instance) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) enddo; enddo @@ -2434,7 +2442,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,param(instance)%Nslip(f) ! process each (active) slip system in family + do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system From 8d2c0ec857689b52390f7cb43263d1465cdb1eb0 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 17 May 2018 19:32:41 +0200 Subject: [PATCH 007/143] stateinit and atolState not needed --- src/plastic_dislotwin.f90 | 240 ++++++++++++-------------------------- 1 file changed, 76 insertions(+), 164 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index b57f5811c..3f3a2fe64 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -198,9 +198,6 @@ module plastic_dislotwin plastic_dislotwin_LpAndItsTangent, & plastic_dislotwin_dotState, & plastic_dislotwin_postResults - private :: & - plastic_dislotwin_stateInit, & - plastic_dislotwin_aTolState contains @@ -226,7 +223,9 @@ subroutine plastic_dislotwin_init(fileUnit) use math, only: & math_Mandel3333to66, & math_Voigt66to3333, & - math_mul3x3 + math_mul3x3, & + math_expand,& + pi use mesh, only: & mesh_maxNips, & mesh_NcpElems @@ -262,7 +261,7 @@ subroutine plastic_dislotwin_init(fileUnit) integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,maxTotalNtrans,& - f,instance,j,k,l,m,n,o,p,q,r,s,ns,nt,nr, & + f,instance,j,i,k,l,m,n,o,p,q,r,s,ns,nt,nr, & Nchunks_SlipSlip = 0_pInt, Nchunks_SlipTwin = 0_pInt, & Nchunks_TwinSlip = 0_pInt, Nchunks_TwinTwin = 0_pInt, & Nchunks_SlipTrans = 0_pInt, Nchunks_TransSlip = 0_pInt, Nchunks_TransTrans = 0_pInt, & @@ -271,6 +270,16 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex, endIndex integer(pInt) :: sizeState, sizeDotState, sizeDeltaState integer(pInt) :: NofMyPhase + + real(pReal), allocatable, dimension(:) :: & + invLambdaSlip0,& + MeanFreePathSlip0,& + MeanFreePathTrans0,& + MeanFreePathTwin0,& + tauSlipThreshold0,& + TwinVolume0,& + MartensiteVolume0 + character(len=65536) :: & tag = '', & line = '' @@ -1112,255 +1121,158 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=1_pInt endIndex=ns state(instance)%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%rhoEdge=>plasticState(phase)%state0(startIndex:endIndex,:) dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:) + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(rhoEdge0(instance,:),Nslip(instance,:)),2,NofMyPhase) + plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%rhoEdgeDip=>plasticState(phase)%state0(startIndex:endIndex,:) dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:) + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),2,NofMyPhase) + plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho + startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%accshear_slip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%accshear_slip=>plasticState(phase)%state0(startIndex:endIndex,:) dotState(instance)%accshear_slip=>plasticState(phase)%dotState(startIndex:endIndex,:) + plasticState(phase)%aTolState(startIndex:endIndex) = 1e6_pReal + startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%twinFraction=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%twinFraction=>plasticState(phase)%state0(startIndex:endIndex,:) dotState(instance)%twinFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) + plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolTwinFrac + startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%accshear_twin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%accshear_twin=>plasticState(phase)%state0(startIndex:endIndex,:) dotState(instance)%accshear_twin=>plasticState(phase)%dotState(startIndex:endIndex,:) + plasticState(phase)%aTolState(startIndex:endIndex) = 1e6_pReal startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%stressTransFraction=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%stressTransFraction=>plasticState(phase)%state0(startIndex:endIndex,:) dotState(instance)%stressTransFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) + plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac + startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%strainTransFraction=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%strainTransFraction=>plasticState(phase)%state0(startIndex:endIndex,:) dotState(instance)%strainTransFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) + plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%invLambdaSlip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaSlip=>plasticState(phase)%state0(startIndex:endIndex,:) + invLambdaSlip0 = spread(0.0_pReal,1,ns) + forall (i = 1_pInt:ns) & + invLambdaSlip0(i) = sqrt(dot_product(math_expand(rhoEdge0(instance,:),Nslip(instance,:))+ & + math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),forestProjectionEdge(1:ns,i,instance)))/ & + CLambdaSlipPerSlipSystem(i,instance) + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(invLambdaSlip0,Nslip(instance,:)),2, NofMyPhase) + startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%invLambdaSlipTwin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaSlipTwin=>plasticState(phase)%state0(startIndex:endIndex,:) + startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%invLambdaTwin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaTwin=>plasticState(phase)%state0(startIndex:endIndex,:) + + startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%invLambdaSlipTrans=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaSlipTrans=>plasticState(phase)%state0(startIndex:endIndex,:) + + startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%invLambdaTrans=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%invLambdaTrans=>plasticState(phase)%state0(startIndex:endIndex,:) + startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%mfp_slip=>plasticState(phase)%state(startIndex:endIndex,:) state0(instance)%mfp_slip=>plasticState(phase)%state0(startIndex:endIndex,:) + MeanFreePathSlip0 = param(instance)%GrainSize/(1.0_pReal+invLambdaSlip0*param(instance)%GrainSize) + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathSlip0,Nslip(instance,:)),2, NofMyPhase) + startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%mfp_twin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%mfp_twin=>plasticState(phase)%state0(startIndex:endIndex,:) + MeanFreePathTwin0 = param(instance)%GrainSize + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathTwin0,Ntwin(instance,:)),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%mfp_trans=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%mfp_trans=>plasticState(phase)%state0(startIndex:endIndex,:) + MeanFreePathTrans0 = param(instance)%GrainSize + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathTrans0,Ntrans(instance,:)),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%threshold_stress_slip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%threshold_stress_slip=>plasticState(phase)%state0(startIndex:endIndex,:) + tauSlipThreshold0 = spread(0.0_pReal,1,ns) + forall (i = 1_pInt:ns) & + tauSlipThreshold0(i) = & + lattice_mu(phase)*burgersPerSlipSystem(i,instance) * & + sqrt(dot_product(math_expand(rhoEdge0(instance,:),Nslip(instance,:))+ & + math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),interactionMatrix_SlipSlip(i,1:ns,instance))) + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(tauSlipThreshold0,Nslip(instance,:)),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%threshold_stress_twin=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%threshold_stress_twin=>plasticState(phase)%state0(startIndex:endIndex,:) + startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%threshold_stress_trans=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%threshold_stress_trans=>plasticState(phase)%state0(startIndex:endIndex,:) + startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%twinVolume=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%twinVolume=>plasticState(phase)%state0(startIndex:endIndex,:) + TwinVolume0= spread(0.0_pReal,1,nt) + forall (j = 1_pInt:nt) & + TwinVolume0(j) = & + (pi/4.0_pReal)*twinsizePerTwinSystem(j,instance)*MeanFreePathTwin0(j)**(2.0_pReal) + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(TwinVolume0,Ntwin(instance,:)),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%martensiteVolume=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%martensiteVolume=>plasticState(phase)%state0(startIndex:endIndex,:) - - call plastic_dislotwin_stateInit(phase,instance) - call plastic_dislotwin_aTolState(phase,instance) + MartensiteVolume0= spread(0.0_pReal,1,nr) + forall (j = 1_pInt:nr) & + MartensiteVolume0(j) = & + (pi/4.0_pReal)*lamellarsizePerTransSystem(j,instance)*MeanFreePathTrans0(j)**(2.0_pReal) + plasticState(phase)%state0(startIndex:endIndex,:) = & + spread(math_expand(MartensiteVolume0,Ntrans(instance,:)),2, NofMyPhase) + endif myPhase2 enddo initializeInstances end subroutine plastic_dislotwin_init -!-------------------------------------------------------------------------------------------------- -!> @brief sets the relevant state values for a given instance of this plasticity -!-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_stateInit(ph,instance) - use math, only: & - pi - use lattice, only: & - lattice_maxNslipFamily, & - lattice_mu - use material, only: & - plasticState - implicit none - integer(pInt), intent(in) :: & - instance, & !< number specifying the instance of the plasticity - ph - - real(pReal), dimension(plasticState(ph)%sizeState) :: tempState - - integer(pInt) :: i,j,f,ns,nt,nr, index_myFamily - real(pReal), dimension(totalNslip(instance)) :: & - rhoEdge0_temp, & - rhoEdgeDip0_temp, & - invLambdaSlip0, & - MeanFreePathSlip0, & - tauSlipThreshold0 - real(pReal), dimension(totalNtwin(instance)) :: & - MeanFreePathTwin0,TwinVolume0 - real(pReal), dimension(totalNtrans(instance)) :: & - MeanFreePathTrans0,MartensiteVolume0 - tempState = 0.0_pReal - ns = totalNslip(instance) - nt = totalNtwin(instance) - nr = totalNtrans(instance) - -!-------------------------------------------------------------------------------------------------- -! initialize basic slip state variables - do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list - rhoEdge0_temp(index_myFamily+1_pInt: & - index_myFamily+Nslip(f,instance)) = & - rhoEdge0(f,instance) - rhoEdgeDip0_temp(index_myFamily+1_pInt: & - index_myFamily+Nslip(f,instance)) = & - rhoEdgeDip0(f,instance) - enddo - - tempState(1_pInt:ns) = rhoEdge0_temp - tempState(ns+1_pInt:2_pInt*ns) = rhoEdgeDip0_temp - -!-------------------------------------------------------------------------------------------------- -! initialize dependent slip microstructural variables - forall (i = 1_pInt:ns) & - invLambdaSlip0(i) = sqrt(dot_product((rhoEdge0_temp+rhoEdgeDip0_temp),forestProjectionEdge(1:ns,i,instance)))/ & - CLambdaSlipPerSlipSystem(i,instance) - tempState(3_pInt*ns+2_pInt*nt+2_pInt*nr+1:4_pInt*ns+2_pInt*nt+2_pInt*nr) = invLambdaSlip0 - - forall (i = 1_pInt:ns) & - MeanFreePathSlip0(i) = & - param(instance)%GrainSize/(1.0_pReal+invLambdaSlip0(i)*param(instance)%GrainSize) - tempState(6_pInt*ns+3_pInt*nt+3_pInt*nr+1:7_pInt*ns+3_pInt*nt+3_pInt*nr) = MeanFreePathSlip0 - - forall (i = 1_pInt:ns) & - tauSlipThreshold0(i) = & - lattice_mu(ph)*burgersPerSlipSystem(i,instance) * & - sqrt(dot_product((rhoEdge0_temp+rhoEdgeDip0_temp),interactionMatrix_SlipSlip(i,1:ns,instance))) - - tempState(7_pInt*ns+4_pInt*nt+4_pInt*nr+1:8_pInt*ns+4_pInt*nt+4_pInt*nr) = tauSlipThreshold0 - -!-------------------------------------------------------------------------------------------------- -! initialize dependent twin microstructural variables - forall (j = 1_pInt:nt) & - MeanFreePathTwin0(j) = param(instance)%GrainSize - tempState(7_pInt*ns+3_pInt*nt+3_pInt*nr+1_pInt:7_pInt*ns+4_pInt*nt+3_pInt*nr) = MeanFreePathTwin0 - - forall (j = 1_pInt:nt) & - TwinVolume0(j) = & - (pi/4.0_pReal)*twinsizePerTwinSystem(j,instance)*MeanFreePathTwin0(j)**(2.0_pReal) - tempState(8_pInt*ns+5_pInt*nt+5_pInt*nr+1_pInt:8_pInt*ns+6_pInt*nt+5_pInt*nr) = TwinVolume0 - -!-------------------------------------------------------------------------------------------------- -! initialize dependent trans microstructural variables - forall (j = 1_pInt:nr) & - MeanFreePathTrans0(j) = param(instance)%GrainSize - tempState(7_pInt*ns+4_pInt*nt+3_pInt*nr+1_pInt:7_pInt*ns+4_pInt*nt+4_pInt*nr) = MeanFreePathTrans0 - - forall (j = 1_pInt:nr) & - MartensiteVolume0(j) = & - (pi/4.0_pReal)*lamellarsizePerTransSystem(j,instance)*MeanFreePathTrans0(j)**(2.0_pReal) - tempState(8_pInt*ns+6_pInt*nt+5_pInt*nr+1_pInt:8_pInt*ns+6_pInt*nt+6_pInt*nr) = MartensiteVolume0 - -plasticState(ph)%state0 = spread(tempState,2,size(plasticState(ph)%state(1,:))) - -end subroutine plastic_dislotwin_stateInit - -!-------------------------------------------------------------------------------------------------- -!> @brief sets the relevant state values for a given instance of this plasticity -!-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_aTolState(ph,instance) - use material, only: & - plasticState - - implicit none - integer(pInt), intent(in) :: & - ph, & - instance ! number specifying the current instance of the plasticity - - integer(pInt) :: ns, nt, nr - - ns = totalNslip(instance) - nt = totalNtwin(instance) - nr = totalNtrans(instance) - - ! Tolerance state for dislocation densities - plasticState(ph)%aTolState(1_pInt: & - 2_pInt*ns) = param(instance)%aTolRho - - ! Tolerance state for accumulated shear due to slip - plasticState(ph)%aTolState(2_pInt*ns+1_pInt: & - 3_pInt*ns)=1.0e6_pReal - - ! Tolerance state for twin volume fraction - plasticState(ph)%aTolState(3_pInt*ns+1_pInt: & - 3_pInt*ns+nt) = param(instance)%aTolTwinFrac - - ! Tolerance state for accumulated shear due to twin - plasticState(ph)%aTolState(3_pInt*ns+nt+1_pInt: & - 3_pInt*ns+2_pInt*nt) = 1.0e6_pReal - -! Tolerance state for stress-assisted martensite volume fraction - plasticState(ph)%aTolState(3_pInt*ns+2_pInt*nt+1_pInt: & - 3_pInt*ns+2_pInt*nt+nr) = param(instance)%aTolTransFrac - -! Tolerance state for strain-induced martensite volume fraction - plasticState(ph)%aTolState(3_pInt*ns+2_pInt*nt+nr+1_pInt: & - 3_pInt*ns+2_pInt*nt+2_pInt*nr) = param(instance)%aTolTransFrac - -end subroutine plastic_dislotwin_aTolState !-------------------------------------------------------------------------------------------------- From e107a5e0043508d4d94c2999eaf59f22828f9312 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 17 May 2018 19:46:38 +0200 Subject: [PATCH 008/143] exception in function math_expand in module math.f90 --- src/math.f90 | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/src/math.f90 b/src/math.f90 index 7e35ca390..436c60b81 100644 --- a/src/math.f90 +++ b/src/math.f90 @@ -82,6 +82,7 @@ module math math_crossproduct, & math_tensorproduct33, & math_mul3x3, & + math_expand, & math_mul6x6, & math_mul33xx33, & math_mul3333xx33, & @@ -384,7 +385,8 @@ pure function math_expand(what,how) integer(pInt), dimension(:), intent(in) :: how real(pReal), dimension(sum(how)) :: math_expand integer(pInt) :: i - + if(sum(how)==0) & + return do i = 1_pInt, size(how) math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt) enddo From 9fc334afd1b8695230b2966e9e7a1a3bc512e8f8 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Tue, 22 May 2018 19:59:05 +0200 Subject: [PATCH 009/143] syntax errors detected by new GNU compiler --- src/math.f90 | 1 - src/plastic_dislotwin.f90 | 39 +++++++++++---------------------------- 2 files changed, 11 insertions(+), 29 deletions(-) diff --git a/src/math.f90 b/src/math.f90 index c45a928f7..f572aa8de 100644 --- a/src/math.f90 +++ b/src/math.f90 @@ -83,7 +83,6 @@ module math math_crossproduct, & math_tensorproduct33, & math_mul3x3, & - math_expand, & math_mul6x6, & math_mul33xx33, & math_mul3333xx33, & diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 3f3a2fe64..cb14b4cc2 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1134,21 +1134,18 @@ subroutine plastic_dislotwin_init(fileUnit) spread(math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),2,NofMyPhase) plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho - startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%accshear_slip=>plasticState(phase)%state(startIndex:endIndex,:) dotState(instance)%accshear_slip=>plasticState(phase)%dotState(startIndex:endIndex,:) plasticState(phase)%aTolState(startIndex:endIndex) = 1e6_pReal - startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%twinFraction=>plasticState(phase)%state(startIndex:endIndex,:) dotState(instance)%twinFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolTwinFrac - startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%accshear_twin=>plasticState(phase)%state(startIndex:endIndex,:) @@ -1161,7 +1158,6 @@ subroutine plastic_dislotwin_init(fileUnit) dotState(instance)%stressTransFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac - startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%strainTransFraction=>plasticState(phase)%state(startIndex:endIndex,:) @@ -1179,29 +1175,22 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(invLambdaSlip0,Nslip(instance,:)),2, NofMyPhase) - startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%invLambdaSlipTwin=>plasticState(phase)%state(startIndex:endIndex,:) - startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%invLambdaTwin=>plasticState(phase)%state(startIndex:endIndex,:) - - startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%invLambdaSlipTrans=>plasticState(phase)%state(startIndex:endIndex,:) - - startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%invLambdaTrans=>plasticState(phase)%state(startIndex:endIndex,:) - startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%mfp_slip=>plasticState(phase)%state(startIndex:endIndex,:) @@ -1210,30 +1199,28 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(MeanFreePathSlip0,Nslip(instance,:)),2, NofMyPhase) - startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%mfp_twin=>plasticState(phase)%state(startIndex:endIndex,:) - MeanFreePathTwin0 = param(instance)%GrainSize + MeanFreePathTwin0 = spread(param(instance)%GrainSize,1,nt) plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathTwin0,Ntwin(instance,:)),2, NofMyPhase) + spread(math_expand(MeanFreePathTwin0,Ntwin(instance,:)),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%mfp_trans=>plasticState(phase)%state(startIndex:endIndex,:) - MeanFreePathTrans0 = param(instance)%GrainSize + MeanFreePathTrans0 = spread(param(instance)%GrainSize,1,nr) plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathTrans0,Ntrans(instance,:)),2, NofMyPhase) + spread(math_expand(MeanFreePathTrans0,Ntrans(instance,:)),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+ns state(instance)%threshold_stress_slip=>plasticState(phase)%state(startIndex:endIndex,:) tauSlipThreshold0 = spread(0.0_pReal,1,ns) - forall (i = 1_pInt:ns) & - tauSlipThreshold0(i) = & + forall (i = 1_pInt:ns) tauSlipThreshold0(i) = & lattice_mu(phase)*burgersPerSlipSystem(i,instance) * & - sqrt(dot_product(math_expand(rhoEdge0(instance,:),Nslip(instance,:))+ & - math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),interactionMatrix_SlipSlip(i,1:ns,instance))) + sqrt(dot_product(math_expand(rhoEdge0(instance,:) + rhoEdgeDip0(instance,:),Nslip(instance,:)),& + interactionMatrix_SlipSlip(i,1:ns,instance))) plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(tauSlipThreshold0,Nslip(instance,:)),2, NofMyPhase) @@ -1241,19 +1228,16 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+nt state(instance)%threshold_stress_twin=>plasticState(phase)%state(startIndex:endIndex,:) - startIndex=endIndex+1 endIndex=endIndex+nr state(instance)%threshold_stress_trans=>plasticState(phase)%state(startIndex:endIndex,:) - startIndex=endIndex+1 endIndex=endIndex+nt state(instance)%twinVolume=>plasticState(phase)%state(startIndex:endIndex,:) TwinVolume0= spread(0.0_pReal,1,nt) - forall (j = 1_pInt:nt) & - TwinVolume0(j) = & - (pi/4.0_pReal)*twinsizePerTwinSystem(j,instance)*MeanFreePathTwin0(j)**(2.0_pReal) + forall (i = 1_pInt:nt) TwinVolume0(i) = & + (PI/4.0_pReal)*twinsizePerTwinSystem(i,instance)*MeanFreePathTwin0(i)**2.0_pReal plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(TwinVolume0,Ntwin(instance,:)),2, NofMyPhase) @@ -1261,9 +1245,8 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+nr state(instance)%martensiteVolume=>plasticState(phase)%state(startIndex:endIndex,:) MartensiteVolume0= spread(0.0_pReal,1,nr) - forall (j = 1_pInt:nr) & - MartensiteVolume0(j) = & - (pi/4.0_pReal)*lamellarsizePerTransSystem(j,instance)*MeanFreePathTrans0(j)**(2.0_pReal) + forall (i = 1_pInt:nr) MartensiteVolume0(i) = & + (PI/4.0_pReal)*lamellarsizePerTransSystem(i,instance)*MeanFreePathTrans0(i)**2.0_pReal plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(MartensiteVolume0,Ntrans(instance,:)),2, NofMyPhase) From 175bab4073d9a223e8b0f995d87256637dadc9c6 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 24 May 2018 00:25:29 +0200 Subject: [PATCH 010/143] 1e-6 seems to be a more reasoable absolute tolerance for accumulated shear --- src/plastic_dislotwin.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index cb14b4cc2..23906bee3 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1138,7 +1138,7 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+ns state(instance)%accshear_slip=>plasticState(phase)%state(startIndex:endIndex,:) dotState(instance)%accshear_slip=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%aTolState(startIndex:endIndex) = 1e6_pReal + plasticState(phase)%aTolState(startIndex:endIndex) = 1e-6_pReal startIndex=endIndex+1 endIndex=endIndex+nt @@ -1150,7 +1150,7 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+nt state(instance)%accshear_twin=>plasticState(phase)%state(startIndex:endIndex,:) dotState(instance)%accshear_twin=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%aTolState(startIndex:endIndex) = 1e6_pReal + plasticState(phase)%aTolState(startIndex:endIndex) = 1e-6_pReal startIndex=endIndex+1 endIndex=endIndex+nr From 7321a367709d87032866268332970c735bac9535 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 24 May 2018 17:10:21 +0200 Subject: [PATCH 011/143] plastic_dislotwin_outputID can be renamed to outputID, default case for output added --- src/plastic_dislotwin.f90 | 77 +++++++++++++++------------------------ 1 file changed, 29 insertions(+), 48 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 23906bee3..0b6af61c3 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -119,7 +119,7 @@ module plastic_dislotwin trans_fraction_ID end enum integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & - plastic_dislotwin_outputID !< ID of each post result output + outputID !< ID of each post result output type,private :: tParameters real(pReal) :: & @@ -305,7 +305,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) allocate(plastic_dislotwin_output(maxval(phase_Noutput),maxNinstance)) plastic_dislotwin_output = '' - allocate(plastic_dislotwin_outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) + allocate(outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) allocate(plastic_dislotwin_Noutput(maxNinstance), source=0_pInt) allocate(param(maxNinstance)) @@ -411,92 +411,73 @@ subroutine plastic_dislotwin_init(fileUnit) IO_lc(IO_stringValue(line,chunkPos,2_pInt)) select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt))) case ('edge_density') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = edge_density_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = edge_density_ID case ('dipole_density') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = dipole_density_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = dipole_density_ID case ('shear_rate_slip','shearrate_slip') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_slip_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_slip_ID case ('accumulated_shear_slip') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_slip_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_slip_ID case ('mfp_slip') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_slip_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_slip_ID case ('resolved_stress_slip') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_slip_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_slip_ID case ('threshold_stress_slip') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_slip_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_slip_ID case ('edge_dipole_distance') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = edge_dipole_distance_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = edge_dipole_distance_ID case ('stress_exponent') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = stress_exponent_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = stress_exponent_ID case ('twin_fraction') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = twin_fraction_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = twin_fraction_ID case ('shear_rate_twin','shearrate_twin') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_twin_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_twin_ID case ('accumulated_shear_twin') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_twin_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_twin_ID case ('mfp_twin') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_twin_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_twin_ID case ('resolved_stress_twin') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_twin_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_twin_ID case ('threshold_stress_twin') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_twin_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_twin_ID case ('resolved_stress_shearband') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_shearband_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_shearband_ID case ('shear_rate_shearband','shearrate_shearband') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_shearband_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_shearband_ID case ('sb_eigenvalues') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvalues_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvalues_ID case ('sb_eigenvectors') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvectors_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvectors_ID case ('stress_trans_fraction') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = stress_trans_fraction_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = stress_trans_fraction_ID case ('strain_trans_fraction') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = strain_trans_fraction_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = strain_trans_fraction_ID case ('trans_fraction','total_trans_fraction') - - plastic_dislotwin_outputID(plastic_dislotwin_Noutput(instance),instance) = trans_fraction_ID + outputID(plastic_dislotwin_Noutput(instance),instance) = trans_fraction_ID + + case default + plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) - 1_pInt end select !-------------------------------------------------------------------------------------------------- @@ -845,7 +826,7 @@ subroutine plastic_dislotwin_init(fileUnit) !-------------------------------------------------------------------------------------------------- ! Determine size of postResults array outputsLoop: do o = 1_pInt,plastic_dislotwin_Noutput(instance) - select case(plastic_dislotwin_outputID(o,instance)) + select case(outputID(o,instance)) case(edge_density_ID, & dipole_density_ID, & shear_rate_slip_ID, & @@ -2126,7 +2107,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) c = 0_pInt plastic_dislotwin_postResults = 0.0_pReal do o = 1_pInt,plastic_dislotwin_Noutput(instance) - select case(plastic_dislotwin_outputID(o,instance)) + select case(outputID(o,instance)) case (edge_density_ID) plastic_dislotwin_postResults(c+1_pInt:c+ns) = state(instance)%rhoEdge(1_pInt:ns,of) From 1a5ed20708b386331bb964e30a982133141683e7 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Tue, 29 May 2018 18:29:38 +0200 Subject: [PATCH 012/143] outputID is part of param(instance) array, reading in of output made consistent with kinematic hardeing law/outputtag not needed --- src/plastic_dislotwin.f90 | 76 +++++++++++++++++++++------------------ 1 file changed, 42 insertions(+), 34 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 0b6af61c3..6fdf9c6c9 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -118,10 +118,11 @@ module plastic_dislotwin strain_trans_fraction_ID, & trans_fraction_ID end enum - integer(kind(undefined_ID)), dimension(:,:), allocatable, private :: & - outputID !< ID of each post result output type,private :: tParameters + integer(kind(undefined_ID)), dimension(:), allocatable, private :: & + outputID !< ID of each post result output + real(pReal) :: & CAtomicVolume, & !< atomic volume in Bugers vector unit D0, & !< prefactor for self-diffusion coefficient @@ -267,7 +268,7 @@ subroutine plastic_dislotwin_init(fileUnit) Nchunks_SlipTrans = 0_pInt, Nchunks_TransSlip = 0_pInt, Nchunks_TransTrans = 0_pInt, & Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, Nchunks_TransFamilies = 0_pInt, & offset_slip, index_myFamily, index_otherFamily, & - startIndex, endIndex + startIndex, endIndex, output_ID integer(pInt) :: sizeState, sizeDotState, sizeDeltaState integer(pInt) :: NofMyPhase @@ -283,6 +284,9 @@ subroutine plastic_dislotwin_init(fileUnit) character(len=65536) :: & tag = '', & line = '' + + + real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin, tempPerTrans write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' @@ -305,7 +309,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) allocate(plastic_dislotwin_output(maxval(phase_Noutput),maxNinstance)) plastic_dislotwin_output = '' - allocate(outputID(maxval(phase_Noutput),maxNinstance), source=undefined_ID) + allocate(plastic_dislotwin_Noutput(maxNinstance), source=0_pInt) allocate(param(maxNinstance)) @@ -380,6 +384,7 @@ subroutine plastic_dislotwin_init(fileUnit) if (IO_getTag(line,'[',']') /= '') then ! next phase section phase = phase + 1_pInt ! advance phase section counter if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then + instance = phase_plasticityInstance(phase) Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt) Nchunks_TransFamilies = count(lattice_NtransSystem(:,phase)> 0_pInt) @@ -396,6 +401,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(tempPerSlip(Nchunks_SlipFamilies)) allocate(tempPerTwin(Nchunks_TwinFamilies)) allocate(tempPerTrans(Nchunks_TransFamilies)) + allocate(param(instance)%outputID(phase_Noutput(phase)), source=undefined_ID) endif cycle ! skip to next line endif @@ -406,80 +412,82 @@ subroutine plastic_dislotwin_init(fileUnit) tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key select case(tag) case ('(output)') - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = & - IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + output_ID = undefined_ID select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt))) case ('edge_density') - outputID(plastic_dislotwin_Noutput(instance),instance) = edge_density_ID + output_ID = edge_density_ID case ('dipole_density') - outputID(plastic_dislotwin_Noutput(instance),instance) = dipole_density_ID + output_ID = dipole_density_ID case ('shear_rate_slip','shearrate_slip') - outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_slip_ID + output_ID = shear_rate_slip_ID case ('accumulated_shear_slip') - outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_slip_ID + output_ID = accumulated_shear_slip_ID case ('mfp_slip') - outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_slip_ID + output_ID = mfp_slip_ID case ('resolved_stress_slip') - outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_slip_ID + output_ID = resolved_stress_slip_ID case ('threshold_stress_slip') - outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_slip_ID + output_ID= threshold_stress_slip_ID case ('edge_dipole_distance') - outputID(plastic_dislotwin_Noutput(instance),instance) = edge_dipole_distance_ID + output_ID = edge_dipole_distance_ID case ('stress_exponent') - outputID(plastic_dislotwin_Noutput(instance),instance) = stress_exponent_ID + output_ID = stress_exponent_ID case ('twin_fraction') - outputID(plastic_dislotwin_Noutput(instance),instance) = twin_fraction_ID + output_ID = twin_fraction_ID case ('shear_rate_twin','shearrate_twin') - outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_twin_ID + output_ID= shear_rate_twin_ID case ('accumulated_shear_twin') - outputID(plastic_dislotwin_Noutput(instance),instance) = accumulated_shear_twin_ID + output_ID = accumulated_shear_twin_ID case ('mfp_twin') - outputID(plastic_dislotwin_Noutput(instance),instance) = mfp_twin_ID + output_ID = mfp_twin_ID case ('resolved_stress_twin') - outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_twin_ID + output_ID = resolved_stress_twin_ID case ('threshold_stress_twin') - outputID(plastic_dislotwin_Noutput(instance),instance) = threshold_stress_twin_ID + output_ID = threshold_stress_twin_ID case ('resolved_stress_shearband') - outputID(plastic_dislotwin_Noutput(instance),instance) = resolved_stress_shearband_ID + output_ID = resolved_stress_shearband_ID case ('shear_rate_shearband','shearrate_shearband') - outputID(plastic_dislotwin_Noutput(instance),instance) = shear_rate_shearband_ID + output_ID = shear_rate_shearband_ID case ('sb_eigenvalues') - outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvalues_ID + output_ID = sb_eigenvalues_ID case ('sb_eigenvectors') - outputID(plastic_dislotwin_Noutput(instance),instance) = sb_eigenvectors_ID + output_ID = sb_eigenvectors_ID case ('stress_trans_fraction') - outputID(plastic_dislotwin_Noutput(instance),instance) = stress_trans_fraction_ID + output_ID = stress_trans_fraction_ID case ('strain_trans_fraction') - outputID(plastic_dislotwin_Noutput(instance),instance) = strain_trans_fraction_ID + output_ID = strain_trans_fraction_ID case ('trans_fraction','total_trans_fraction') - outputID(plastic_dislotwin_Noutput(instance),instance) = trans_fraction_ID + output_ID = trans_fraction_ID - case default - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) - 1_pInt - end select + + if (output_ID /= undefined_ID) then + plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt + plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = IO_lc(IO_stringValue(line,chunkPos,2_pInt)) + param(instance)%outputID(plastic_dislotwin_Noutput(instance)) = output_ID + endif + !-------------------------------------------------------------------------------------------------- ! parameters depending on number of slip system families case ('nslip') @@ -826,7 +834,7 @@ subroutine plastic_dislotwin_init(fileUnit) !-------------------------------------------------------------------------------------------------- ! Determine size of postResults array outputsLoop: do o = 1_pInt,plastic_dislotwin_Noutput(instance) - select case(outputID(o,instance)) + select case(param(instance)%outputID(o)) case(edge_density_ID, & dipole_density_ID, & shear_rate_slip_ID, & @@ -2107,7 +2115,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) c = 0_pInt plastic_dislotwin_postResults = 0.0_pReal do o = 1_pInt,plastic_dislotwin_Noutput(instance) - select case(outputID(o,instance)) + select case(param(instance)%outputID(o)) case (edge_density_ID) plastic_dislotwin_postResults(c+1_pInt:c+ns) = state(instance)%rhoEdge(1_pInt:ns,of) From 2480d2f1ba02863f1c33565f160e49dff8981d77 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Mon, 25 Jun 2018 20:07:35 +0200 Subject: [PATCH 013/143] Reading in of parameters made consistent --- src/plastic_dislotwin.f90 | 530 +++++++++++++++++++++----------------- 1 file changed, 296 insertions(+), 234 deletions(-) mode change 100644 => 100755 src/plastic_dislotwin.f90 diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 old mode 100644 new mode 100755 index 3bde86191..cc73f622c --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -43,14 +43,6 @@ module plastic_dislotwin real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & Ctrans3333 !< trans elasticity matrix for each instance real(pReal), dimension(:,:), allocatable, private :: & - rhoEdge0, & !< initial edge dislocation density per slip system for each family and instance - rhoEdgeDip0, & !< initial edge dipole density per slip system for each family and instance - burgersPerSlipFamily, & !< absolute length of burgers vector [m] for each slip family and instance - burgersPerSlipSystem, & !< absolute length of burgers vector [m] for each slip system and instance - burgersPerTwinFamily, & !< absolute length of burgers vector [m] for each twin family and instance - burgersPerTwinSystem, & !< absolute length of burgers vector [m] for each twin system and instance - burgersPerTransFamily, & !< absolute length of burgers vector [m] for each trans family and instance - burgersPerTransSystem, & !< absolute length of burgers vector [m] for each trans system and instance QedgePerSlipFamily, & !< activation energy for glide [J] for each slip family and instance QedgePerSlipSystem, & !< activation energy for glide [J] for each slip system and instance v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance @@ -154,13 +146,21 @@ module plastic_dislotwin Cthresholdtrans, & !< transStackHeight !< Stack height of hex nucleus - !integer(pInt), dimension(:), allocatable, private :: & - ! Nslip, & !< number of active slip systems for each family and instance - ! Ntwin, & !< number of active twin systems for each family and instance - ! Ntrans !< number of active transformation systems for each family and instance + integer(pInt), dimension(:), allocatable, private :: & + Nslip, & !< number of active slip systems for each family and instance + Ntwin, & !< number of active twin systems for each family and instance + Ntrans !< number of active transformation systems for each family and instance + real(pReal), dimension(:), allocatable, private :: & + rho0, & !< initial unipolar dislocation density per slip system + rhoDip0, & !< initial dipole dislocation density per slip system + burgers_slip, & !< absolute length of burgers vector [m] for each slip systems + burgers_twin, & !< absolute length of burgers vector [m] for each slip systems + burgers_trans !< absolute length of burgers vector [m] for each twin family and instance + + end type - type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) + type(tParameters), dimension(:), allocatable, private, target :: param !< containers of constitutive parameters (len Ninstance) type, private :: tDislotwinState @@ -253,7 +253,8 @@ subroutine plastic_dislotwin_init(fileUnit) material_phase, & plasticState use config, only: & - MATERIAL_partPhase + MATERIAL_partPhase, & + phaseConfig use lattice use numerics,only: & numerics_integrator @@ -269,7 +270,7 @@ subroutine plastic_dislotwin_init(fileUnit) Nchunks_SlipTrans = 0_pInt, Nchunks_TransSlip = 0_pInt, Nchunks_TransTrans = 0_pInt, & Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, Nchunks_TransFamilies = 0_pInt, & offset_slip, index_myFamily, index_otherFamily, & - startIndex, endIndex, output_ID + startIndex, endIndex, outputID,outputSize integer(pInt) :: sizeState, sizeDotState, sizeDeltaState integer(pInt) :: NofMyPhase @@ -286,7 +287,13 @@ subroutine plastic_dislotwin_init(fileUnit) tag = '', & line = '' + character(len=65536), dimension(:), allocatable :: outputs + integer(pInt), dimension(0), parameter :: emptyInt = [integer(pInt)::] + real(pReal), dimension(0), parameter :: emptyReal = [real(pReal)::] + character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::] + + type(tParameters), pointer :: prm real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin, tempPerTrans @@ -321,16 +328,6 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) - - - allocate(rhoEdge0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) - allocate(rhoEdgeDip0(lattice_maxNslipFamily,maxNinstance), source=0.0_pReal) - allocate(burgersPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(burgersPerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & - source=0.0_pReal) - allocate(burgersPerTransFamily(lattice_maxNtransFamily,maxNinstance), & - source=0.0_pReal) allocate(QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance), & source=0.0_pReal) allocate(v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), & @@ -368,6 +365,210 @@ subroutine plastic_dislotwin_init(fileUnit) source=0.0_pReal) allocate(sPerTransFamily(lattice_maxNtransFamily,maxNinstance),source=0.0_pReal) + do phase = 1_pInt, size(phase_plasticityInstance) + if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then + instance = phase_plasticityInstance(phase) + prm => param(instance) + + prm%Nslip = phaseConfig(phase)%getInts('nslip',defaultVal=emptyInt) + !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) + if (sum(prm%Nslip) > 0_pInt) then + prm%rho0 = phaseConfig(phase)%getFloats('rhoedge0') + prm%rhoDip0 = phaseConfig(phase)%getFloats('rhoedgedip0') + prm%burgers_slip = phaseConfig(phase)%getFloats('slipburgers') + + prm%aTolRho = phaseConfig(phase)%getFloat('atol_rho') + + prm%CEdgeDipMinDistance = phaseConfig(phase)%getFloat('cedgedipmindistance') + endif + + prm%Ntwin = phaseConfig(phase)%getInts('ntwin', defaultVal=emptyInt) + !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) + if (sum(prm%Ntwin) > 0_pInt) then + prm%burgers_twin = phaseConfig(phase)%getFloats('twinburgers') + prm%xc_twin = phaseConfig(phase)%getFloat('xc_twin') + + prm%aTolTwinFrac = phaseConfig(phase)%getFloat('atol_twinfrac') + prm%L0_twin = phaseConfig(phase)%getFloat('l0_twin') + endif + + prm%Ntrans = phaseConfig(phase)%getInts('ntrans', defaultVal=emptyInt) + !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) + if (sum(prm%Ntrans) > 0_pInt) then + prm%burgers_trans = phaseConfig(phase)%getFloats('transburgers') + prm%Cthresholdtrans = phaseConfig(phase)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%transStackHeight = phaseConfig(phase)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%Cmfptrans = phaseConfig(phase)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%deltaG = phaseConfig(phase)%getFloat('deltag') + prm%xc_trans = phaseConfig(phase)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%L0_trans = phaseConfig(phase)%getFloat('l0_trans') + prm%aTolTransFrac = phaseConfig(phase)%getFloat('atol_transfrac') + endif + + if (sum(prm%Ntwin) > 0_pInt .or. sum(prm%Ntrans) > 0_pInt) then + prm%SFE_0K = phaseConfig(phase)%getFloat('sfe_0k') + prm%dSFE_dT = phaseConfig(phase)%getFloat('dsfe_dt') + prm%VcrossSlip = phaseConfig(phase)%getFloat('vcrossslip') + endif + + prm%sbResistance = phaseConfig(phase)%getFloat('shearbandresistance',defaultVal=0.0_pReal) + prm%sbVelocity = phaseConfig(phase)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) + + + prm%CAtomicVolume = phaseConfig(phase)%getFloat('catomicvolume') + prm%GrainSize = phaseConfig(phase)%getFloat('grainsize') + prm%MaxTwinFraction = phaseConfig(phase)%getFloat('maxtwinfraction') ! ToDo: only used in postResults + prm%pShearBand = phaseConfig(phase)%getFloat('p_shearband') + prm%qShearBand = phaseConfig(phase)%getFloat('q_shearband') + prm%D0 = phaseConfig(phase)%getFloat('d0') + prm%Qsd = phaseConfig(phase)%getFloat('qsd') + prm%SolidSolutionStrength = phaseConfig(phase)%getFloat('solidsolutionstrength') + prm%dipoleFormationFactor= phaseConfig(phase)%getFloat('dipoleformationfactor', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%sbQedge = phaseConfig(phase)%getFloat('qedgepersbsystem') + + + + + ! case ('p_shearband') + ! prm%pShearBand = IO_floatValue(line,chunkPos,2_pInt) + ! case ('q_shearband') + ! prm%qShearBand = IO_floatValue(line,chunkPos,2_pInt) + ! case ('d0') + ! prm%D0 = IO_floatValue(line,chunkPos,2_pInt) + ! case ('qsd') + ! prm%Qsd = IO_floatValue(line,chunkPos,2_pInt) + + ! case ('atol_twinfrac') + ! prm%aTolTwinFrac = IO_floatValue(line,chunkPos,2_pInt) + ! case ('atol_transfrac') + ! prm%aTolTransFrac = IO_floatValue(line,chunkPos,2_pInt) + ! case ('solidsolutionstrength') + ! prm%SolidSolutionStrength = IO_floatValue(line,chunkPos,2_pInt) + ! case ('l0_twin') + ! prm%L0_twin = IO_floatValue(line,chunkPos,2_pInt) + + ! case ('vcrossslip') + ! prm%VcrossSlip = IO_floatValue(line,chunkPos,2_pInt) + ! case ('cedgedipmindistance') + ! prm%CEdgeDipMinDistance = IO_floatValue(line,chunkPos,2_pInt) + + ! case ('sfe_0k') + ! prm%SFE_0K = IO_floatValue(line,chunkPos,2_pInt) + ! case ('dsfe_dt') + ! prm%dSFE_dT = IO_floatValue(line,chunkPos,2_pInt) + ! case ('dipoleformationfactor') + ! prm%dipoleFormationFactor = IO_floatValue(line,chunkPos,2_pInt) + + ! case ('qedgepersbsystem') + ! prm%sbQedge = IO_floatValue(line,chunkPos,2_pInt) + + + outputs = phaseConfig(phase)%getStrings('(output)', defaultVal=emptyString) + allocate(prm%outputID(0)) + do i= 1_pInt, size(outputs) + outputID = undefined_ID + select case(outputs(i)) + + case ('edge_density') + outputID = edge_density_ID + outputSize = sum(prm%Nslip) + + case ('dipole_density') + outputID = dipole_density_ID + outputSize = sum(prm%Nslip) + + case ('shear_rate_slip','shearrate_slip') + outputID = shear_rate_slip_ID + outputSize = sum(prm%Nslip) + + case ('accumulated_shear_slip') + outputID = accumulated_shear_slip_ID + outputSize = sum(prm%Nslip) + + case ('mfp_slip') + outputID = mfp_slip_ID + outputSize = sum(prm%Nslip) + + case ('resolved_stress_slip') + outputID = resolved_stress_slip_ID + outputSize = sum(prm%Nslip) + + case ('threshold_stress_slip') + outputID= threshold_stress_slip_ID + outputSize = sum(prm%Nslip) + + case ('edge_dipole_distance') + outputID = edge_dipole_distance_ID + outputSize = sum(prm%Nslip) + + case ('stress_exponent') + outputID = stress_exponent_ID + outputSize = sum(prm%Nslip) + + case ('twin_fraction') + outputID = twin_fraction_ID + outputSize = sum(prm%Ntwin) + + case ('shear_rate_twin','shearrate_twin') + outputID= shear_rate_twin_ID + outputSize = sum(prm%Ntwin) + + case ('accumulated_shear_twin') + outputID = accumulated_shear_twin_ID + outputSize = sum(prm%Ntwin) + + case ('mfp_twin') + outputID = mfp_twin_ID + outputSize = sum(prm%Ntwin) + + case ('resolved_stress_twin') + outputID = resolved_stress_twin_ID + outputSize = sum(prm%Ntwin) + + case ('threshold_stress_twin') + outputID = threshold_stress_twin_ID + outputSize = sum(prm%Ntwin) + + case ('resolved_stress_shearband') + outputID = resolved_stress_shearband_ID + outputSize = 6_pInt + + case ('shear_rate_shearband','shearrate_shearband') + outputID = shear_rate_shearband_ID + outputSize = 6_pInt + + case ('sb_eigenvalues') + outputID = sb_eigenvalues_ID + outputSize = 3_pInt + + case ('sb_eigenvectors') + outputID = sb_eigenvectors_ID + outputSize = 3_pInt + + case ('stress_trans_fraction') + outputID = stress_trans_fraction_ID + outputSize = sum(prm%Ntrans) + + case ('strain_trans_fraction') + outputID = strain_trans_fraction_ID + outputSize = sum(prm%Ntrans) + + case ('trans_fraction','total_trans_fraction') + outputID = trans_fraction_ID + outputSize = sum(prm%Ntrans) + + end select + + if (outputID /= undefined_ID) then + plastic_dislotwin_output(i,instance) = outputs(i) + plastic_dislotwin_sizePostResult(i,instance) = outputSize + prm%outputID = [prm%outputID , outputID] + endif + + enddo + endif + enddo + rewind(fileUnit) phase = 0_pInt @@ -402,7 +603,6 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(tempPerSlip(Nchunks_SlipFamilies)) allocate(tempPerTwin(Nchunks_TwinFamilies)) allocate(tempPerTrans(Nchunks_TransFamilies)) - allocate(param(instance)%outputID(phase_Noutput(phase)), source=undefined_ID) endif cycle ! skip to next line endif @@ -412,82 +612,7 @@ subroutine plastic_dislotwin_init(fileUnit) chunkPos = IO_stringPos(line) tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key select case(tag) - case ('(output)') - output_ID = undefined_ID - select case(IO_lc(IO_stringValue(line,chunkPos,2_pInt))) - case ('edge_density') - output_ID = edge_density_ID - - case ('dipole_density') - output_ID = dipole_density_ID - - case ('shear_rate_slip','shearrate_slip') - output_ID = shear_rate_slip_ID - - case ('accumulated_shear_slip') - output_ID = accumulated_shear_slip_ID - - case ('mfp_slip') - output_ID = mfp_slip_ID - - case ('resolved_stress_slip') - output_ID = resolved_stress_slip_ID - - case ('threshold_stress_slip') - output_ID= threshold_stress_slip_ID - - case ('edge_dipole_distance') - output_ID = edge_dipole_distance_ID - - case ('stress_exponent') - output_ID = stress_exponent_ID - - case ('twin_fraction') - output_ID = twin_fraction_ID - - case ('shear_rate_twin','shearrate_twin') - output_ID= shear_rate_twin_ID - - case ('accumulated_shear_twin') - output_ID = accumulated_shear_twin_ID - - case ('mfp_twin') - output_ID = mfp_twin_ID - - case ('resolved_stress_twin') - output_ID = resolved_stress_twin_ID - - case ('threshold_stress_twin') - output_ID = threshold_stress_twin_ID - - case ('resolved_stress_shearband') - output_ID = resolved_stress_shearband_ID - - case ('shear_rate_shearband','shearrate_shearband') - output_ID = shear_rate_shearband_ID - - case ('sb_eigenvalues') - output_ID = sb_eigenvalues_ID - - case ('sb_eigenvectors') - output_ID = sb_eigenvectors_ID - - case ('stress_trans_fraction') - output_ID = stress_trans_fraction_ID - - case ('strain_trans_fraction') - output_ID = strain_trans_fraction_ID - - case ('trans_fraction','total_trans_fraction') - output_ID = trans_fraction_ID - - end select - - if (output_ID /= undefined_ID) then - plastic_dislotwin_Noutput(instance) = plastic_dislotwin_Noutput(instance) + 1_pInt - plastic_dislotwin_output(plastic_dislotwin_Noutput(instance),instance) = IO_lc(IO_stringValue(line,chunkPos,2_pInt)) - param(instance)%outputID(plastic_dislotwin_Noutput(instance)) = output_ID - endif + !-------------------------------------------------------------------------------------------------- ! parameters depending on number of slip system families @@ -501,17 +626,11 @@ subroutine plastic_dislotwin_init(fileUnit) Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo - case ('rhoedge0','rhoedgedip0','slipburgers','qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip') + case ('qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip') do j = 1_pInt, Nchunks_SlipFamilies tempPerSlip(j) = IO_floatValue(line,chunkPos,1_pInt+j) enddo select case(tag) - case ('rhoedge0') - rhoEdge0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('rhoedgedip0') - rhoEdgeDip0(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('slipburgers') - burgersPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('qedge') QedgePerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) case ('v0') @@ -549,8 +668,6 @@ subroutine plastic_dislotwin_init(fileUnit) Ndot0PerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) case ('twinsize') twinsizePerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) - case ('twinburgers') - burgersPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) case ('r_twin') rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) end select @@ -576,8 +693,6 @@ subroutine plastic_dislotwin_init(fileUnit) Ndot0PerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) case ('lamellarsize') lamellarsizePerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) - case ('transburgers') - burgersPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) case ('s_trans') sPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) end select @@ -625,66 +740,7 @@ subroutine plastic_dislotwin_init(fileUnit) do j = 1_pInt, Nchunks_TransTrans interaction_TransTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) enddo -!-------------------------------------------------------------------------------------------------- -! parameters independent of number of slip/twin/trans systems - case ('grainsize') - param(instance)%GrainSize = IO_floatValue(line,chunkPos,2_pInt) - case ('maxtwinfraction') - param(instance)%MaxTwinFraction = IO_floatValue(line,chunkPos,2_pInt) - case ('p_shearband') - param(instance)%pShearBand = IO_floatValue(line,chunkPos,2_pInt) - case ('q_shearband') - param(instance)%qShearBand = IO_floatValue(line,chunkPos,2_pInt) - case ('d0') - param(instance)%D0 = IO_floatValue(line,chunkPos,2_pInt) - case ('qsd') - param(instance)%Qsd = IO_floatValue(line,chunkPos,2_pInt) - case ('atol_rho') - param(instance)%aTolRho = IO_floatValue(line,chunkPos,2_pInt) - case ('atol_twinfrac') - param(instance)%aTolTwinFrac = IO_floatValue(line,chunkPos,2_pInt) - case ('atol_transfrac') - param(instance)%aTolTransFrac = IO_floatValue(line,chunkPos,2_pInt) - case ('cmfptwin') - param(instance)%Cmfptwin = IO_floatValue(line,chunkPos,2_pInt) - case ('cthresholdtwin') - param(instance)%Cthresholdtwin = IO_floatValue(line,chunkPos,2_pInt) - case ('solidsolutionstrength') - param(instance)%SolidSolutionStrength = IO_floatValue(line,chunkPos,2_pInt) - case ('l0_twin') - param(instance)%L0_twin = IO_floatValue(line,chunkPos,2_pInt) - case ('l0_trans') - param(instance)%L0_trans = IO_floatValue(line,chunkPos,2_pInt) - case ('xc_twin') - param(instance)%xc_twin = IO_floatValue(line,chunkPos,2_pInt) - case ('xc_trans') - param(instance)%xc_trans = IO_floatValue(line,chunkPos,2_pInt) - case ('vcrossslip') - param(instance)%VcrossSlip = IO_floatValue(line,chunkPos,2_pInt) - case ('cedgedipmindistance') - param(instance)%CEdgeDipMinDistance = IO_floatValue(line,chunkPos,2_pInt) - case ('catomicvolume') - param(instance)%CAtomicVolume = IO_floatValue(line,chunkPos,2_pInt) - case ('sfe_0k') - param(instance)%SFE_0K = IO_floatValue(line,chunkPos,2_pInt) - case ('dsfe_dt') - param(instance)%dSFE_dT = IO_floatValue(line,chunkPos,2_pInt) - case ('dipoleformationfactor') - param(instance)%dipoleFormationFactor = IO_floatValue(line,chunkPos,2_pInt) - case ('shearbandresistance') - param(instance)%sbResistance = IO_floatValue(line,chunkPos,2_pInt) - case ('shearbandvelocity') - param(instance)%sbVelocity = IO_floatValue(line,chunkPos,2_pInt) - case ('qedgepersbsystem') - param(instance)%sbQedge = IO_floatValue(line,chunkPos,2_pInt) - case ('deltag') - param(instance)%deltaG = IO_floatValue(line,chunkPos,2_pInt) - case ('cmfptrans') - param(instance)%Cmfptrans = IO_floatValue(line,chunkPos,2_pInt) - case ('cthresholdtrans') - param(instance)%Cthresholdtrans = IO_floatValue(line,chunkPos,2_pInt) - case ('transstackheight') - param(instance)%transStackHeight = IO_floatValue(line,chunkPos,2_pInt) + end select endif; endif enddo parsingFile @@ -701,12 +757,12 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(211_pInt,el=instance,ext_msg='Ntrans ('//PLASTICITY_DISLOTWIN_label//')') do f = 1_pInt,lattice_maxNslipFamily if (Nslip(f,instance) > 0_pInt) then - if (rhoEdge0(f,instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') - if (rhoEdgeDip0(f,instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') - if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') + ! if (rhoEdge0(f,instance) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') + ! if (rhoEdgeDip0(f,instance) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') + ! if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') if (v0PerSlipFamily(f,instance) <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') if (tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & @@ -715,8 +771,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo do f = 1_pInt,lattice_maxNtwinFamily if (Ntwin(f,instance) > 0_pInt) then - if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') + ! if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') endif @@ -776,9 +832,6 @@ subroutine plastic_dislotwin_init(fileUnit) maxTotalNtwin = maxval(totalNtwin) maxTotalNtrans = maxval(totalNtrans) - allocate(burgersPerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(burgersPerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(burgersPerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal) allocate(QedgePerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) allocate(v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) allocate(Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) @@ -879,7 +932,7 @@ subroutine plastic_dislotwin_init(fileUnit) !-------------------------------------------------------------------------------------------------- ! allocate state arrays - sizeDotState = int(size(['rhoEdge ','rhoEdgeDip ','accshearslip']),pInt) * ns & + sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * ns & + int(size(['twinFraction','accsheartwin']),pInt) * nt & + int(size(['stressTransFraction','strainTransFraction']),pInt) * nr sizeDeltaState = 0_pInt @@ -920,6 +973,10 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(phase)%accumulatedSlip => & plasticState(phase)%state (offset_slip+1:offset_slip+plasticState(phase)%nslip,1:NofMyPhase) + + prm%burgers_slip = math_expand(prm%burgers_slip,Nslip(:,instance)) + prm%burgers_twin = math_expand(prm%burgers_twin,Ntwin(:,instance)) + prm%burgers_trans = math_expand(prm%burgers_trans,Ntrans(:,instance)) !* Process slip related parameters ------------------------------------------------ slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list @@ -930,8 +987,7 @@ subroutine plastic_dislotwin_init(fileUnit) ! mean free path prefactor, ! and minimum dipole distance - burgersPerSlipSystem(index_myFamily+j,instance) = & - burgersPerSlipFamily(f,instance) + QedgePerSlipSystem(index_myFamily+j,instance) = & QedgePerSlipFamily(f,instance) @@ -985,12 +1041,8 @@ subroutine plastic_dislotwin_init(fileUnit) index_myFamily = sum(Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list twinSystemsLoop: do j = 1_pInt,Ntwin(f,instance) - !* Burgers vector, ! nucleation rate prefactor, ! and twin size - - burgersPerTwinSystem(index_myFamily+j,instance) = & - burgersPerTwinFamily(f,instance) Ndot0PerTwinSystem(index_myFamily+j,instance) = & Ndot0PerTwinFamily(f,instance) @@ -1047,9 +1099,6 @@ subroutine plastic_dislotwin_init(fileUnit) ! nucleation rate prefactor, ! and martensite size - burgersPerTransSystem(index_myFamily+j,instance) = & - burgersPerTransFamily(f,instance) - Ndot0PerTransSystem(index_myFamily+j,instance) = & Ndot0PerTransFamily(f,instance) @@ -1113,7 +1162,7 @@ subroutine plastic_dislotwin_init(fileUnit) state(instance)%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:) dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:) plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(rhoEdge0(instance,:),Nslip(instance,:)),2,NofMyPhase) + spread(math_expand(prm%rho0,Nslip(instance,:)),2,NofMyPhase) plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho startIndex=endIndex+1 @@ -1121,7 +1170,7 @@ subroutine plastic_dislotwin_init(fileUnit) state(instance)%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:) dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:) plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),2,NofMyPhase) + spread(math_expand(prm%rhoDip0,Nslip(instance,:)),2,NofMyPhase) plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho startIndex=endIndex+1 @@ -1159,8 +1208,8 @@ subroutine plastic_dislotwin_init(fileUnit) state(instance)%invLambdaSlip=>plasticState(phase)%state(startIndex:endIndex,:) invLambdaSlip0 = spread(0.0_pReal,1,ns) forall (i = 1_pInt:ns) & - invLambdaSlip0(i) = sqrt(dot_product(math_expand(rhoEdge0(instance,:),Nslip(instance,:))+ & - math_expand(rhoEdgeDip0(instance,:),Nslip(instance,:)),forestProjectionEdge(1:ns,i,instance)))/ & + invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,Nslip(instance,:))+ & + math_expand(prm%rhoDip0,Nslip(instance,:)),forestProjectionEdge(1:ns,i,instance)))/ & CLambdaSlipPerSlipSystem(i,instance) plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(invLambdaSlip0,Nslip(instance,:)),2, NofMyPhase) @@ -1208,8 +1257,8 @@ subroutine plastic_dislotwin_init(fileUnit) state(instance)%threshold_stress_slip=>plasticState(phase)%state(startIndex:endIndex,:) tauSlipThreshold0 = spread(0.0_pReal,1,ns) forall (i = 1_pInt:ns) tauSlipThreshold0(i) = & - lattice_mu(phase)*burgersPerSlipSystem(i,instance) * & - sqrt(dot_product(math_expand(rhoEdge0(instance,:) + rhoEdgeDip0(instance,:),Nslip(instance,:)),& + lattice_mu(phase)*prm%burgers_slip(i) * & + sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,Nslip(instance,:)),& interactionMatrix_SlipSlip(i,1:ns,instance))) plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(tauSlipThreshold0,Nslip(instance,:)),2, NofMyPhase) @@ -1333,7 +1382,10 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) real(pReal), dimension(totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: fOverStacksize real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & ftransOverLamellarSize + + type(tParameters), pointer :: prm + !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) @@ -1341,7 +1393,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) ns = totalNslip(instance) nt = totalNtwin(instance) nr = totalNtrans(instance) - + prm => param(instance) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 @@ -1427,7 +1479,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !* threshold stress for dislocation motion forall (s = 1_pInt:ns) & state(instance)%threshold_stress_slip(s,of) = & - lattice_mu(ph)*burgersPerSlipSystem(s,instance)*& + lattice_mu(ph)*prm%burgers_slip(s)*& sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& interactionMatrix_SlipSlip(s,1:ns,instance))) @@ -1435,27 +1487,27 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) forall (t = 1_pInt:nt) & state(instance)%threshold_stress_twin(t,of) = & param(instance)%Cthresholdtwin* & - (sfe/(3.0_pReal*burgersPerTwinSystem(t,instance)) & - + 3.0_pReal*burgersPerTwinSystem(t,instance)*lattice_mu(ph)/& - (param(instance)%L0_twin*burgersPerSlipSystem(t,instance)) & + (sfe/(3.0_pReal**prm%burgers_twin(t)) & + + 3.0_pReal*prm%burgers_twin(t)*lattice_mu(ph)/& + (param(instance)%L0_twin*prm%burgers_slip(t)) & ) !* threshold stress for growing martensite forall (r = 1_pInt:nr) & state(instance)%threshold_stress_trans(r,of) = & param(instance)%Cthresholdtrans* & - (sfe/(3.0_pReal*burgersPerTransSystem(r,instance)) & - + 3.0_pReal*burgersPerTransSystem(r,instance)*lattice_mu(ph)/& - (param(instance)%L0_trans*burgersPerSlipSystem(r,instance))& + (sfe/(3.0_pReal*prm%burgers_trans(r)) & + + 3.0_pReal*prm%burgers_trans(r)*lattice_mu(ph)/& + (param(instance)%L0_trans*prm%burgers_slip(r))& + param(instance)%transStackHeight*param(instance)%deltaG/ & - (3.0_pReal*burgersPerTransSystem(r,instance)) & + (3.0_pReal*prm%burgers_trans(r)) & ) !* final twin volume after growth forall (t = 1_pInt:nt) & state(instance)%twinVolume(t,of) = & (pi/4.0_pReal)*twinsizePerTwinSystem(t,instance)*& - state(instance)%mfp_twin(t,of)**(2.0_pReal) + state(instance)%mfp_twin(t,of)**2.0_pReal !* final martensite volume after growth forall (r = 1_pInt:nr) & @@ -1465,19 +1517,19 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !* equilibrium separation of partial dislocations (twin) do t = 1_pInt,nt - x0 = lattice_mu(ph)*burgersPerTwinSystem(t,instance)**(2.0_pReal)/& + x0 = lattice_mu(ph)*prm%burgers_twin(t)**(2.0_pReal)/& (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) tau_r_twin(t,instance)= & - lattice_mu(ph)*burgersPerTwinSystem(t,instance)/(2.0_pReal*pi)*& + lattice_mu(ph)*prm%burgers_twin(t)/(2.0_pReal*pi)*& (1/(x0+param(instance)%xc_twin)+cos(pi/3.0_pReal)/x0) enddo !* equilibrium separation of partial dislocations (trans) do r = 1_pInt,nr - x0 = lattice_mu(ph)*burgersPerTransSystem(r,instance)**(2.0_pReal)/& + x0 = lattice_mu(ph)*prm%burgers_trans(r)**(2.0_pReal)/& (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) tau_r_trans(r,instance)= & - lattice_mu(ph)*burgersPerTransSystem(r,instance)/(2.0_pReal*pi)*& + lattice_mu(ph)*prm%burgers_trans(r)/(2.0_pReal*pi)*& (1/(x0+param(instance)%xc_trans)+cos(pi/3.0_pReal)/x0) enddo @@ -1561,6 +1613,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature 0, 1,-1, & 0, 1, 1 & ],pReal),[ 3,6]) + + type(tParameters), pointer :: prm + !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) @@ -1571,7 +1626,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Lp = 0.0_pReal dLp_dTstar3333 = 0.0_pReal - + + +prm => param(instance) !-------------------------------------------------------------------------------------------------- ! Dislocation glide part gdot_slip = 0.0_pReal @@ -1596,7 +1653,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)*& + state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)*& v0PerSlipSystem(j,instance) !* Shear rates due to slip @@ -1715,7 +1772,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature if (tau_twin(j) < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (param(instance)%L0_twin*burgersPerSlipSystem(j,instance))*& + (param(instance)%L0_twin*prm%burgers_slip(j))*& (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau_twin(j)))) else @@ -1765,7 +1822,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (param(instance)%L0_trans*burgersPerSlipSystem(j,instance))*& + (param(instance)%L0_trans*prm%burgers_slip(j))*& (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (tau_r_trans(j,instance)-tau_trans(j)))) else @@ -1855,6 +1912,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & tau_trans + type(tParameters), pointer :: prm + !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) @@ -1862,7 +1921,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) ns = totalNslip(instance) nt = totalNtwin(instance) nr = totalNtrans(instance) - +prm => param(instance) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 plasticState(ph)%dotState(:,of) = 0.0_pReal @@ -1892,7 +1951,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - plasticState(ph)%state(j, of)*burgersPerSlipSystem(j,instance)*& + plasticState(ph)%state(j, of)*prm%burgers_slip(j)*& v0PerSlipSystem(j,instance) !* Shear rates due to slip @@ -1901,36 +1960,36 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) endif !* Multiplication DotRhoMultiplication = abs(gdot_slip(j))/& - (burgersPerSlipSystem(j,instance)*state(instance)%mfp_slip(j,of)) + (prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) !* Dipole formation EdgeDipMinDistance = & - param(instance)%CEdgeDipMinDistance*burgersPerSlipSystem(j,instance) + param(instance)%CEdgeDipMinDistance*prm%burgers_slip(j) if (dEq0(tau_slip(j))) then DotRhoDipFormation = 0.0_pReal else EdgeDipDistance = & - (3.0_pReal*lattice_mu(ph)*burgersPerSlipSystem(j,instance))/& + (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& (16.0_pReal*pi*abs(tau_slip(j))) if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) if (EdgeDipDistance param(instance) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 @@ -2145,7 +2207,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & + state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & v0PerSlipSystem(j,instance) !* Shear rates due to slip @@ -2187,7 +2249,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) = & - (3.0_pReal*lattice_mu(ph)*burgersPerSlipSystem(j,instance))/& + (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& (16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)))) plastic_dislotwin_postResults(c+j)=min(plastic_dislotwin_postResults(c+j),& state(instance)%mfp_slip(j,of)) @@ -2254,7 +2316,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & + state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & v0PerSlipSystem(j,instance) !* Shear rates due to slip @@ -2284,7 +2346,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& (param(instance)%L0_twin*& - burgersPerSlipSystem(j,instance))*& + prm%burgers_slip(j))*& (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau))) else @@ -2346,7 +2408,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*burgersPerSlipSystem(j,instance)* & + state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & v0PerSlipSystem(j,instance) !* Shear rates due to slip From 90d9724b9f48e4817b209981ab42f447741bfb41 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Wed, 27 Jun 2018 10:53:23 +0200 Subject: [PATCH 014/143] Reading in of parameters using list --- src/plastic_dislotwin.f90 | 363 +++++++++++++------------------------- 1 file changed, 126 insertions(+), 237 deletions(-) mode change 100755 => 100644 src/plastic_dislotwin.f90 diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 old mode 100755 new mode 100644 index cc73f622c..fbf37bd64 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -43,34 +43,16 @@ module plastic_dislotwin real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & Ctrans3333 !< trans elasticity matrix for each instance real(pReal), dimension(:,:), allocatable, private :: & - QedgePerSlipFamily, & !< activation energy for glide [J] for each slip family and instance - QedgePerSlipSystem, & !< activation energy for glide [J] for each slip system and instance - v0PerSlipFamily, & !< dislocation velocity prefactor [m/s] for each family and instance - v0PerSlipSystem, & !< dislocation velocity prefactor [m/s] for each slip system and instance - tau_peierlsPerSlipFamily, & !< Peierls stress [Pa] for each family and instance - Ndot0PerTwinFamily, & !< twin nucleation rate [1/m³s] for each twin family and instance - Ndot0PerTwinSystem, & !< twin nucleation rate [1/m³s] for each twin system and instance - Ndot0PerTransFamily, & !< trans nucleation rate [1/m³s] for each trans family and instance - Ndot0PerTransSystem, & !< trans nucleation rate [1/m³s] for each trans system and instance tau_r_twin, & !< stress to bring partial close together for each twin system and instance tau_r_trans, & !< stress to bring partial close together for each trans system and instance - twinsizePerTwinFamily, & !< twin thickness [m] for each twin family and instance - twinsizePerTwinSystem, & !< twin thickness [m] for each twin system and instance - CLambdaSlipPerSlipFamily, & !< Adj. parameter for distance between 2 forest dislocations for each slip family and instance - CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance - lamellarsizePerTransFamily, & !< martensite lamellar thickness [m] for each trans family and instance - lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance - interaction_TransTrans, & !< coefficients for trans-trans interaction for each interaction type and instance - pPerSlipFamily, & !< p-exponent in glide velocity - qPerSlipFamily, & !< q-exponent in glide velocity - rPerTwinFamily, & !< r-exponent in twin nucleation rate - sPerTransFamily !< s-exponent in trans nucleation rate + interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance + real(pReal), dimension(:,:,:), allocatable, private :: & interactionMatrix_SlipSlip, & !< interaction matrix of the different slip systems for each instance interactionMatrix_SlipTwin, & !< interaction matrix of slip systems with twin systems for each instance @@ -155,9 +137,19 @@ module plastic_dislotwin rhoDip0, & !< initial dipole dislocation density per slip system burgers_slip, & !< absolute length of burgers vector [m] for each slip systems burgers_twin, & !< absolute length of burgers vector [m] for each slip systems - burgers_trans !< absolute length of burgers vector [m] for each twin family and instance - - + burgers_trans, & !< absolute length of burgers vector [m] for each twin family and instance + QedgePerSlipSystem,& !< activation energy for glide [J] for each slip system and instance + v0PerSlipSystem, & !dislocation velocity prefactor [m/s] for each slip system and instance + tau_peierlsPerSlipFamily,& !< Peierls stress [Pa] for each family and instance + Ndot0PerTwinSystem, & !< twin nucleation rate [1/m³s] for each twin system and instance + Ndot0PerTransSystem, & !< trans nucleation rate [1/m³s] for each trans system and instance + twinsizePerTwinSystem, & !< twin thickness [m] for each twin system and instance + CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance + lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance + pPerSlipFamily, & !< p-exponent in glide velocity + qPerSlipFamily, & !< q-exponent in glide velocity + rPerTwinFamily, & !< r-exponent in twin nucleation rate + sPerTransFamily !< s-exponent in trans nucleation rate end type type(tParameters), dimension(:), allocatable, private, target :: param !< containers of constitutive parameters (len Ninstance) @@ -327,24 +319,6 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) allocate(Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) allocate(Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) - - allocate(QedgePerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(v0PerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(tau_peierlsPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(pPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) - allocate(qPerSlipFamily(lattice_maxNslipFamily,maxNinstance),source=0.0_pReal) - allocate(Ndot0PerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & - source=0.0_pReal) - allocate(Ndot0PerTransFamily(lattice_maxNtransFamily,maxNinstance), & - source=0.0_pReal) - allocate(twinsizePerTwinFamily(lattice_maxNtwinFamily,maxNinstance), & - source=0.0_pReal) - allocate(CLambdaSlipPerSlipFamily(lattice_maxNslipFamily,maxNinstance), & - source=0.0_pReal) - allocate(rPerTwinFamily(lattice_maxNtwinFamily,maxNinstance),source=0.0_pReal) allocate(interaction_SlipSlip(lattice_maxNinteraction,maxNinstance), & source=0.0_pReal) allocate(interaction_SlipTwin(lattice_maxNinteraction,maxNinstance), & @@ -361,9 +335,8 @@ subroutine plastic_dislotwin_init(fileUnit) source=0.0_pReal) allocate(sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), & source=0.0_pReal) - allocate(lamellarsizePerTransFamily(lattice_maxNtransFamily,maxNinstance), & - source=0.0_pReal) - allocate(sPerTransFamily(lattice_maxNtransFamily,maxNinstance),source=0.0_pReal) + + do phase = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then @@ -376,26 +349,52 @@ subroutine plastic_dislotwin_init(fileUnit) prm%rho0 = phaseConfig(phase)%getFloats('rhoedge0') prm%rhoDip0 = phaseConfig(phase)%getFloats('rhoedgedip0') prm%burgers_slip = phaseConfig(phase)%getFloats('slipburgers') - + !prm%burgers_slip = math_expand(prm%burgers_slip,Nslip(:,instance)) + prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip(:)) + prm%QedgePerSlipSystem = phaseConfig(phase)%getFloats('qedge') + !prm%QedgePerSlipSystem = math_expand(prm%QedgePerSlipSystem,Nslip(:,instance)) + prm%QedgePerSlipSystem = math_expand(prm%QedgePerSlipSystem,prm%Nslip(:)) prm%aTolRho = phaseConfig(phase)%getFloat('atol_rho') - + prm%v0PerSlipSystem = phaseConfig(phase)%getFloats('v0') + prm%v0PerSlipSystem = math_expand(prm%v0PerSlipSystem,Nslip(:,instance)) + prm%tau_peierlsPerSlipFamily = phaseConfig(phase)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) prm%CEdgeDipMinDistance = phaseConfig(phase)%getFloat('cedgedipmindistance') + prm%CLambdaSlipPerSlipSystem = phaseConfig(phase)%getFloats('clambdaslip') + !prm%CLambdaSlipPerSlipSystem= math_expand(prm%CLambdaSlipPerSlipSystem,Nslip(:,instance)) + prm%CLambdaSlipPerSlipSystem= math_expand(prm%CLambdaSlipPerSlipSystem,prm%Nslip(:)) + write(6,*) Nslip(:,instance) + write (6,*) (prm%CLambdaSlipPerSlipSystem(1_pInt)) + prm%pPerSlipFamily = phaseConfig(phase)%getFloats('p_slip') + prm%qPerSlipFamily = phaseConfig(phase)%getFloats('q_slip') endif prm%Ntwin = phaseConfig(phase)%getInts('ntwin', defaultVal=emptyInt) !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) if (sum(prm%Ntwin) > 0_pInt) then - prm%burgers_twin = phaseConfig(phase)%getFloats('twinburgers') + prm%burgers_twin = phaseConfig(phase)%getFloats('twinburgers') + ! prm%burgers_twin = math_expand(prm%burgers_twin,Ntwin(:,instance)) + prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin(:)) prm%xc_twin = phaseConfig(phase)%getFloat('xc_twin') prm%aTolTwinFrac = phaseConfig(phase)%getFloat('atol_twinfrac') prm%L0_twin = phaseConfig(phase)%getFloat('l0_twin') + if (lattice_structure(phase) /= LATTICE_fcc_ID) then + prm%Ndot0PerTwinSystem = phaseConfig(phase)%getFloats('ndot0_twin') + prm%Ndot0PerTwinSystem = math_expand(prm%Ndot0PerTwinSystem,prm%Ntwin(:)) + endif + ! prm%Ndot0PerTwinSystem = math_expand(prm%Ndot0PerTwinSystem,Ntwin(:,instance)) + prm%twinsizePerTwinSystem = phaseConfig(phase)%getFloats('twinsize') + prm%twinsizePerTwinSystem= math_expand(prm%twinsizePerTwinSystem,prm%Ntwin(:)) + ! prm%twinsizePerTwinSystem= math_expand(prm%twinsizePerTwinSystem,Ntwin(:,instance)) + prm%rPerTwinFamily = phaseConfig(phase)%getFloats('r_twin') endif prm%Ntrans = phaseConfig(phase)%getInts('ntrans', defaultVal=emptyInt) !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) if (sum(prm%Ntrans) > 0_pInt) then - prm%burgers_trans = phaseConfig(phase)%getFloats('transburgers') + prm%burgers_trans = phaseConfig(phase)%getFloats('transburgers') + ! prm%burgers_trans = math_expand(prm%burgers_trans,Ntrans(:,instance)) + prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans(:)) prm%Cthresholdtrans = phaseConfig(phase)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%transStackHeight = phaseConfig(phase)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%Cmfptrans = phaseConfig(phase)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? @@ -403,6 +402,15 @@ subroutine plastic_dislotwin_init(fileUnit) prm%xc_trans = phaseConfig(phase)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%L0_trans = phaseConfig(phase)%getFloat('l0_trans') prm%aTolTransFrac = phaseConfig(phase)%getFloat('atol_transfrac') + if (lattice_structure(phase) /= LATTICE_fcc_ID) then + prm%Ndot0PerTransSystem = phaseConfig(phase)%getFloats('ndot0_trans') + ! prm%Ndot0PerTransSystem = math_expand(prm%Ndot0PerTransSystem,Ntrans(:,instance)) + prm%Ndot0PerTransSystem = math_expand(prm%Ndot0PerTransSystem,prm%Ntrans(:)) + endif + prm%lamellarsizePerTransSystem = phaseConfig(phase)%getFloats('lamellarsize') + ! prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,Ntrans(:,instance)) + prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans(:)) + prm%sPerTransFamily = phaseConfig(phase)%getFloats('s_trans',defaultVal=[0.0_pReal]) endif if (sum(prm%Ntwin) > 0_pInt .or. sum(prm%Ntrans) > 0_pInt) then @@ -425,44 +433,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%SolidSolutionStrength = phaseConfig(phase)%getFloat('solidsolutionstrength') prm%dipoleFormationFactor= phaseConfig(phase)%getFloat('dipoleformationfactor', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%sbQedge = phaseConfig(phase)%getFloat('qedgepersbsystem') - - - - - ! case ('p_shearband') - ! prm%pShearBand = IO_floatValue(line,chunkPos,2_pInt) - ! case ('q_shearband') - ! prm%qShearBand = IO_floatValue(line,chunkPos,2_pInt) - ! case ('d0') - ! prm%D0 = IO_floatValue(line,chunkPos,2_pInt) - ! case ('qsd') - ! prm%Qsd = IO_floatValue(line,chunkPos,2_pInt) - - ! case ('atol_twinfrac') - ! prm%aTolTwinFrac = IO_floatValue(line,chunkPos,2_pInt) - ! case ('atol_transfrac') - ! prm%aTolTransFrac = IO_floatValue(line,chunkPos,2_pInt) - ! case ('solidsolutionstrength') - ! prm%SolidSolutionStrength = IO_floatValue(line,chunkPos,2_pInt) - ! case ('l0_twin') - ! prm%L0_twin = IO_floatValue(line,chunkPos,2_pInt) - - ! case ('vcrossslip') - ! prm%VcrossSlip = IO_floatValue(line,chunkPos,2_pInt) - ! case ('cedgedipmindistance') - ! prm%CEdgeDipMinDistance = IO_floatValue(line,chunkPos,2_pInt) - - ! case ('sfe_0k') - ! prm%SFE_0K = IO_floatValue(line,chunkPos,2_pInt) - ! case ('dsfe_dt') - ! prm%dSFE_dT = IO_floatValue(line,chunkPos,2_pInt) - ! case ('dipoleformationfactor') - ! prm%dipoleFormationFactor = IO_floatValue(line,chunkPos,2_pInt) - - ! case ('qedgepersbsystem') - ! prm%sbQedge = IO_floatValue(line,chunkPos,2_pInt) - - + outputs = phaseConfig(phase)%getStrings('(output)', defaultVal=emptyString) allocate(prm%outputID(0)) do i= 1_pInt, size(outputs) @@ -626,26 +597,7 @@ subroutine plastic_dislotwin_init(fileUnit) Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo - case ('qedge','v0','clambdaslip','tau_peierls','p_slip','q_slip') - do j = 1_pInt, Nchunks_SlipFamilies - tempPerSlip(j) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - select case(tag) - case ('qedge') - QedgePerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('v0') - v0PerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('clambdaslip') - CLambdaSlipPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('tau_peierls') - if (lattice_structure(phase) /= LATTICE_bcc_ID) & - call IO_warning(42_pInt,ext_msg=trim(tag)//' for non-bcc ('//PLASTICITY_DISLOTWIN_label//')') - tau_peierlsPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('p_slip') - pPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - case ('q_slip') - qPerSlipFamily(1:Nchunks_SlipFamilies,instance) = tempPerSlip(1:Nchunks_SlipFamilies) - end select + !-------------------------------------------------------------------------------------------------- ! parameters depending on slip number of twin families case ('ntwin') @@ -657,20 +609,7 @@ subroutine plastic_dislotwin_init(fileUnit) do j = 1_pInt, Nchunks_TwinFamilies Ntwin(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo - case ('ndot0_twin','twinsize','twinburgers','r_twin') - do j = 1_pInt, Nchunks_TwinFamilies - tempPerTwin(j) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - select case(tag) - case ('ndot0_twin') - if (lattice_structure(phase) == LATTICE_fcc_ID) & - call IO_warning(42_pInt,ext_msg=trim(tag)//' for fcc ('//PLASTICITY_DISLOTWIN_label//')') - Ndot0PerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) - case ('twinsize') - twinsizePerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) - case ('r_twin') - rPerTwinFamily(1:Nchunks_TwinFamilies,instance) = tempPerTwin(1:Nchunks_TwinFamilies) - end select + !-------------------------------------------------------------------------------------------------- ! parameters depending on number of transformation system families case ('ntrans') @@ -682,20 +621,6 @@ subroutine plastic_dislotwin_init(fileUnit) do j = 1_pInt, Nchunks_TransFamilies Ntrans(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) enddo - case ('ndot0_trans','lamellarsize','transburgers','s_trans') - do j = 1_pInt, Nchunks_TransFamilies - tempPerTrans(j) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - select case(tag) - case ('ndot0_trans') - if (lattice_structure(phase) == LATTICE_fcc_ID) & - call IO_warning(42_pInt,ext_msg=trim(tag)//' for fcc ('//PLASTICITY_DISLOTWIN_label//')') - Ndot0PerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) - case ('lamellarsize') - lamellarsizePerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) - case ('s_trans') - sPerTransFamily(1:Nchunks_TransFamilies,instance) = tempPerTrans(1:Nchunks_TransFamilies) - end select !-------------------------------------------------------------------------------------------------- ! parameters depending on number of interactions case ('interaction_slipslip','interactionslipslip') @@ -763,18 +688,18 @@ subroutine plastic_dislotwin_init(fileUnit) ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') ! if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') - if (v0PerSlipFamily(f,instance) <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') - if (tau_peierlsPerSlipFamily(f,instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') + !if (v0PerSlipFamily(f,instance) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%tau_peierlsPerSlipFamily(f) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') endif enddo do f = 1_pInt,lattice_maxNtwinFamily if (Ntwin(f,instance) > 0_pInt) then ! if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') - if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') + !if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') endif enddo if (param(instance)%CAtomicVolume <= 0.0_pReal) & @@ -832,16 +757,8 @@ subroutine plastic_dislotwin_init(fileUnit) maxTotalNtwin = maxval(totalNtwin) maxTotalNtrans = maxval(totalNtrans) - allocate(QedgePerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(v0PerSlipSystem(maxTotalNslip, maxNinstance), source=0.0_pReal) - allocate(Ndot0PerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(Ndot0PerTransSystem(maxTotalNtrans, maxNinstance), source=0.0_pReal) allocate(tau_r_twin(maxTotalNtwin, maxNinstance), source=0.0_pReal) allocate(tau_r_trans(maxTotalNtrans, maxNinstance), source=0.0_pReal) - allocate(twinsizePerTwinSystem(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(CLambdaSlipPerSlipSystem(maxTotalNslip, maxNinstance),source=0.0_pReal) - allocate(lamellarsizePerTransSystem(maxTotalNtrans, maxNinstance),source=0.0_pReal) - allocate(interactionMatrix_SlipSlip(maxval(totalNslip),& ! slip resistance from slip activity maxval(totalNslip),& maxNinstance), source=0.0_pReal) @@ -974,9 +891,7 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(phase)%state (offset_slip+1:offset_slip+plasticState(phase)%nslip,1:NofMyPhase) - prm%burgers_slip = math_expand(prm%burgers_slip,Nslip(:,instance)) - prm%burgers_twin = math_expand(prm%burgers_twin,Ntwin(:,instance)) - prm%burgers_trans = math_expand(prm%burgers_trans,Ntrans(:,instance)) + !* Process slip related parameters ------------------------------------------------ slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list @@ -986,18 +901,6 @@ subroutine plastic_dislotwin_init(fileUnit) ! dislocation velocity prefactor, ! mean free path prefactor, ! and minimum dipole distance - - - - QedgePerSlipSystem(index_myFamily+j,instance) = & - QedgePerSlipFamily(f,instance) - - v0PerSlipSystem(index_myFamily+j,instance) = & - v0PerSlipFamily(f,instance) - - CLambdaSlipPerSlipSystem(index_myFamily+j,instance) = & - CLambdaSlipPerSlipFamily(f,instance) - !* Calculation of forest projections for edge dislocations !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily @@ -1043,13 +946,6 @@ subroutine plastic_dislotwin_init(fileUnit) ! nucleation rate prefactor, ! and twin size - - Ndot0PerTwinSystem(index_myFamily+j,instance) = & - Ndot0PerTwinFamily(f,instance) - - twinsizePerTwinSystem(index_myFamily+j,instance) = & - twinsizePerTwinFamily(f,instance) - !* Rotate twin elasticity matrices index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! index in full lattice twin list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt @@ -1098,13 +994,6 @@ subroutine plastic_dislotwin_init(fileUnit) !* Burgers vector, ! nucleation rate prefactor, ! and martensite size - - Ndot0PerTransSystem(index_myFamily+j,instance) = & - Ndot0PerTransFamily(f,instance) - - lamellarsizePerTransSystem(index_myFamily+j,instance) = & - lamellarsizePerTransFamily(f,instance) - !* Rotate trans elasticity matrices index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,phase)) ! index in full lattice trans list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt @@ -1210,7 +1099,7 @@ subroutine plastic_dislotwin_init(fileUnit) forall (i = 1_pInt:ns) & invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,Nslip(instance,:))+ & math_expand(prm%rhoDip0,Nslip(instance,:)),forestProjectionEdge(1:ns,i,instance)))/ & - CLambdaSlipPerSlipSystem(i,instance) + prm%CLambdaSlipPerSlipSystem(i) plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(invLambdaSlip0,Nslip(instance,:)),2, NofMyPhase) @@ -1276,7 +1165,7 @@ subroutine plastic_dislotwin_init(fileUnit) state(instance)%twinVolume=>plasticState(phase)%state(startIndex:endIndex,:) TwinVolume0= spread(0.0_pReal,1,nt) forall (i = 1_pInt:nt) TwinVolume0(i) = & - (PI/4.0_pReal)*twinsizePerTwinSystem(i,instance)*MeanFreePathTwin0(i)**2.0_pReal + (PI/4.0_pReal)*prm%twinsizePerTwinSystem(i)*MeanFreePathTwin0(i)**2.0_pReal plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(TwinVolume0,Ntwin(instance,:)),2, NofMyPhase) @@ -1285,7 +1174,7 @@ subroutine plastic_dislotwin_init(fileUnit) state(instance)%martensiteVolume=>plasticState(phase)%state(startIndex:endIndex,:) MartensiteVolume0= spread(0.0_pReal,1,nr) forall (i = 1_pInt:nr) MartensiteVolume0(i) = & - (PI/4.0_pReal)*lamellarsizePerTransSystem(i,instance)*MeanFreePathTrans0(i)**2.0_pReal + (PI/4.0_pReal)*prm%lamellarsizePerTransSystem(i)*MeanFreePathTrans0(i)**2.0_pReal plasticState(phase)%state0(startIndex:endIndex,:) = & spread(math_expand(MartensiteVolume0,Ntrans(instance,:)),2, NofMyPhase) @@ -1408,20 +1297,20 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !* rescaled twin volume fraction for topology forall (t = 1_pInt:nt) & fOverStacksize(t) = & - state(instance)%twinFraction(t,of)/twinsizePerTwinSystem(t,instance) + state(instance)%twinFraction(t,of)/prm%twinsizePerTwinSystem(t) !* rescaled trans volume fraction for topology forall (r = 1_pInt:nr) & ftransOverLamellarSize(r) = & (state(instance)%stressTransFraction(r,of)+state(instance)%strainTransFraction(r,of))/& - lamellarsizePerTransSystem(r,instance) + prm%lamellarsizePerTransSystem(r) !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (s = 1_pInt:ns) & state(instance)%invLambdaSlip(s,of) = & sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& forestProjectionEdge(1:ns,s,instance)))/ & - CLambdaSlipPerSlipSystem(s,instance) + prm%CLambdaSlipPerSlipSystem(s) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) @@ -1506,13 +1395,13 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !* final twin volume after growth forall (t = 1_pInt:nt) & state(instance)%twinVolume(t,of) = & - (pi/4.0_pReal)*twinsizePerTwinSystem(t,instance)*& + (pi/4.0_pReal)*prm%twinsizePerTwinSystem(t)*& state(instance)%mfp_twin(t,of)**2.0_pReal !* final martensite volume after growth forall (r = 1_pInt:nr) & state(instance)%martensiteVolume(r,of) = & - (pi/4.0_pReal)*lamellarsizePerTransSystem(r,instance)*& + (pi/4.0_pReal)*prm%lamellarsizePerTransSystem(r)*& state(instance)%mfp_trans(r,of)**(2.0_pReal) !* equilibrium separation of partial dislocations (twin) @@ -1646,27 +1535,27 @@ prm => param(instance) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) + (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) + StressRatio_p = stressRatio** prm%pPerSlipFamily(f) + StressRatio_pminus1 = stressRatio**(prm%pPerSlipFamily(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)*& - v0PerSlipSystem(j,instance) + prm%v0PerSlipSystem(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0 & - * exp(-BoltzmannRatio*(1-StressRatio_p) ** qPerSlipFamily(f,instance)) & + * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%qPerSlipFamily(f)) & * sign(1.0_pReal,tau_slip(j)) !* Derivatives of shear rates dgdot_dtauslip(j) = & - abs(gdot_slip(j))*BoltzmannRatio*pPerSlipFamily(f,instance)& - *qPerSlipFamily(f,instance)/& - (param(instance)%SolidSolutionStrength+tau_peierlsPerSlipFamily(f,instance))*& - StressRatio_pminus1*(1-StressRatio_p)**(qPerSlipFamily(f,instance)-1.0_pReal) + abs(gdot_slip(j))*BoltzmannRatio*prm%pPerSlipFamily(f)& + *prm%qPerSlipFamily(f)/& + (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))*& + StressRatio_pminus1*(1-StressRatio_p)**(prm%qPerSlipFamily(f)-1.0_pReal) endif !* Plastic velocity gradient for dislocation glide @@ -1763,7 +1652,7 @@ prm => param(instance) !* Stress ratios if (tau_twin(j) > tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**rPerTwinFamily(f,instance) + StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**prm%rPerTwinFamily(f) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -1779,12 +1668,12 @@ prm => param(instance) Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=Ndot0PerTwinSystem(j,instance) + Ndot0_twin=prm%Ndot0PerTwinSystem(j) end select gdot_twin(j) = & (1.0_pReal-sumf-sumftr)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dgdot_dtautwin(j) = ((gdot_twin(j)*rPerTwinFamily(f,instance))/tau_twin(j))*StressRatio_r + dgdot_dtautwin(j) = ((gdot_twin(j)*prm%rPerTwinFamily(f))/tau_twin(j))*StressRatio_r endif !* Plastic velocity gradient for mechanical twinning @@ -1813,7 +1702,7 @@ prm => param(instance) !* Stress ratios if (tau_trans(j) > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**sPerTransFamily(f,instance) + StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**prm%sPerTransFamily(f) !* Shear rates and their derivatives due to transformation select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -1829,12 +1718,12 @@ prm => param(instance) Ndot0_trans=0.0_pReal end if case default - Ndot0_trans=Ndot0PerTransSystem(j,instance) + Ndot0_trans=prm%Ndot0PerTransSystem(j) end select gdot_trans(j) = & (1.0_pReal-sumf-sumftr)*& state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) - dgdot_dtautrans(j) = ((gdot_trans(j)*sPerTransFamily(f,instance))/tau_trans(j))*StressRatio_s + dgdot_dtautrans(j) = ((gdot_trans(j)*prm%sPerTransFamily(f))/tau_trans(j))*StressRatio_s endif !* Plastic velocity gradient for phase transformation @@ -1944,19 +1833,19 @@ prm => param(instance) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) + (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) + StressRatio_p = stressRatio** prm%pPerSlipFamily(f) + StressRatio_pminus1 = stressRatio**(prm%pPerSlipFamily(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & plasticState(ph)%state(j, of)*prm%burgers_slip(j)*& - v0PerSlipSystem(j,instance) + prm%v0PerSlipSystem(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & - qPerSlipFamily(f,instance))*sign(1.0_pReal,tau_slip(j)) + prm%qPerSlipFamily(f))*sign(1.0_pReal,tau_slip(j)) endif !* Multiplication DotRhoMultiplication = abs(gdot_slip(j))/& @@ -2031,7 +1920,7 @@ prm => param(instance) !* Stress ratios if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& - tau_twin(j))**rPerTwinFamily(f,instance) + tau_twin(j))**prm%rPerTwinFamily(f) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -2047,7 +1936,7 @@ prm => param(instance) Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=Ndot0PerTwinSystem(j,instance) + Ndot0_twin=prm%Ndot0PerTwinSystem(j) end select dotState(instance)%twinFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& @@ -2072,7 +1961,7 @@ prm => param(instance) !* Stress ratios if (tau_trans(j) > tol_math_check) then StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/& - tau_trans(j))**sPerTransFamily(f,instance) + tau_trans(j))**prm%sPerTransFamily(f) !* Shear rates and their derivatives due to transformation select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -2088,7 +1977,7 @@ prm => param(instance) Ndot0_trans=0.0_pReal end if case default - Ndot0_trans=Ndot0PerTransSystem(j,instance) + Ndot0_trans=prm%Ndot0PerTransSystem(j) end select dotState(instance)%strainTransFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& @@ -2200,20 +2089,20 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& - tau_peierlsPerSlipFamily(f,instance))) - StressRatio_p = stressRatio** pPerSlipFamily(f,instance) - StressRatio_pminus1 = stressRatio**(pPerSlipFamily(f,instance)-1.0_pReal) + prm%tau_peierlsPerSlipFamily(f))) + StressRatio_p = stressRatio** prm%pPerSlipFamily(f) + StressRatio_pminus1 = stressRatio**(prm%pPerSlipFamily(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & - v0PerSlipSystem(j,instance) + prm%v0PerSlipSystem(j) !* Shear rates due to slip plastic_dislotwin_postResults(c+j) = & DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) + prm%qPerSlipFamily(f))*sign(1.0_pReal,tau) else plastic_dislotwin_postResults(c+j) = 0.0_pReal endif @@ -2306,22 +2195,22 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& - tau_peierlsPerSlipFamily(f,instance)))& - **pPerSlipFamily(f,instance) + prm%tau_peierlsPerSlipFamily(f)))& + **prm%pPerSlipFamily(f) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& - tau_peierlsPerSlipFamily(f,instance)))& - **(pPerSlipFamily(f,instance)-1.0_pReal) + prm%tau_peierlsPerSlipFamily(f)))& + **(prm%pPerSlipFamily(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & - v0PerSlipSystem(j,instance) + prm%v0PerSlipSystem(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) + prm%qPerSlipFamily(f))*sign(1.0_pReal,tau) else gdot_slip(j) = 0.0_pReal endif @@ -2353,10 +2242,10 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=Ndot0PerTwinSystem(j,instance) + Ndot0_twin=prm%Ndot0PerTwinSystem(j) end select StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & - **rPerTwinFamily(f,instance) + **prm%rPerTwinFamily(f) plastic_dislotwin_postResults(c+j) = & (param(instance)%MaxTwinFraction-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) @@ -2398,30 +2287,30 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& - tau_peierlsPerSlipFamily(f,instance)))& - **pPerSlipFamily(f,instance) + prm%tau_peierlsPerSlipFamily(f)))& + **prm%pPerSlipFamily(f) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& - tau_peierlsPerSlipFamily(f,instance)))& - **(pPerSlipFamily(f,instance)-1.0_pReal) + prm%tau_peierlsPerSlipFamily(f)))& + **(prm%pPerSlipFamily(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = QedgePerSlipSystem(j,instance)/(kB*Temperature) + BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & - v0PerSlipSystem(j,instance) + prm%v0PerSlipSystem(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - qPerSlipFamily(f,instance))*sign(1.0_pReal,tau) + prm%qPerSlipFamily(f))*sign(1.0_pReal,tau) !* Derivatives of shear rates dgdot_dtauslip = & - abs(gdot_slip(j))*BoltzmannRatio*pPerSlipFamily(f,instance)& - *qPerSlipFamily(f,instance)/& + abs(gdot_slip(j))*BoltzmannRatio*prm%pPerSlipFamily(f)& + *prm%qPerSlipFamily(f)/& (param(instance)%SolidSolutionStrength+& - tau_peierlsPerSlipFamily(f,instance))*& - StressRatio_pminus1*(1-StressRatio_p)**(qPerSlipFamily(f,instance)-1.0_pReal) + prm%tau_peierlsPerSlipFamily(f))*& + StressRatio_pminus1*(1-StressRatio_p)**(prm%qPerSlipFamily(f)-1.0_pReal) else gdot_slip(j) = 0.0_pReal From cc0db1a577a27581bbd1dc41ad9e4d744bbca075 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 27 Jun 2018 17:38:52 +0200 Subject: [PATCH 015/143] WIP: compiles --- src/plastic_dislotwin.f90 | 1406 +++++++++++++++---------------------- 1 file changed, 570 insertions(+), 836 deletions(-) mode change 100644 => 100755 src/plastic_dislotwin.f90 diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 old mode 100644 new mode 100755 index fbf37bd64..0a9902a9b --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -9,61 +9,22 @@ module plastic_dislotwin implicit none private - integer(pInt), dimension(:), allocatable, public, protected :: & - plastic_dislotwin_sizePostResults !< cumulative size of post results - integer(pInt), dimension(:,:), allocatable, target, public :: & plastic_dislotwin_sizePostResult !< size of each post result output - character(len=64), dimension(:,:), allocatable, target, public :: & plastic_dislotwin_output !< name of each post result output - + real(pReal), parameter, private :: & kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin - - integer(pInt), dimension(:), allocatable, target, public :: & - plastic_dislotwin_Noutput !< number of outputs per instance of this plasticity - - integer(pInt), dimension(:), allocatable, private :: & - totalNslip, & !< total number of active slip systems for each instance - totalNtwin, & !< total number of active twin systems for each instance - totalNtrans !< number of active transformation systems - - integer(pInt), dimension(:,:), allocatable, private :: & - Nslip, & - Ntwin, & - Ntrans - - real(pReal), dimension(:,:,:,:), allocatable, private :: & - Ctwin66 !< twin elasticity matrix in Mandel notation for each instance - real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & - Ctwin3333 !< twin elasticity matrix for each instance real(pReal), dimension(:,:,:,:), allocatable, private :: & + Ctwin66,& !< twin elasticity matrix in Mandel notation for each instance Ctrans66 !< trans elasticity matrix in Mandel notation for each instance - real(pReal), dimension(:,:,:,:,:,:), allocatable, private :: & - Ctrans3333 !< trans elasticity matrix for each instance real(pReal), dimension(:,:), allocatable, private :: & tau_r_twin, & !< stress to bring partial close together for each twin system and instance - tau_r_trans, & !< stress to bring partial close together for each trans system and instance - interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance - interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance - interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance - interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance - interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance - interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance - interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance - + tau_r_trans !< stress to bring partial close together for each trans system and instance real(pReal), dimension(:,:,:), allocatable, private :: & - interactionMatrix_SlipSlip, & !< interaction matrix of the different slip systems for each instance - interactionMatrix_SlipTwin, & !< interaction matrix of slip systems with twin systems for each instance - interactionMatrix_TwinSlip, & !< interaction matrix of twin systems with slip systems for each instance - interactionMatrix_TwinTwin, & !< interaction matrix of the different twin systems for each instance - interactionMatrix_SlipTrans, & !< interaction matrix of slip systems with trans systems for each instance - interactionMatrix_TransSlip, & !< interaction matrix of trans systems with slip systems for each instance - interactionMatrix_TransTrans, & !< interaction matrix of the different trans systems for each instance forestProjectionEdge, & !< matrix of forest projections of edge dislocations for each instance projectionMatrix_Trans !< matrix for projection of slip system shear on fault band (twin) systems for each instance - real(pReal), dimension(:,:,:,:,:), allocatable, private :: & sbSv @@ -127,7 +88,10 @@ module plastic_dislotwin Cmfptrans, & !< Cthresholdtrans, & !< transStackHeight !< Stack height of hex nucleus - + integer(pInt), private :: & + totalNslip, & !< number of active slip systems for each family and instance + totalNtwin, & !< number of active twin systems for each family and instance + totalNtrans !< number of active transformation systems for each family and instance integer(pInt), dimension(:), allocatable, private :: & Nslip, & !< number of active slip systems for each family and instance Ntwin, & !< number of active twin systems for each family and instance @@ -138,18 +102,26 @@ module plastic_dislotwin burgers_slip, & !< absolute length of burgers vector [m] for each slip systems burgers_twin, & !< absolute length of burgers vector [m] for each slip systems burgers_trans, & !< absolute length of burgers vector [m] for each twin family and instance - QedgePerSlipSystem,& !< activation energy for glide [J] for each slip system and instance - v0PerSlipSystem, & !dislocation velocity prefactor [m/s] for each slip system and instance + Qedge,& !< activation energy for glide [J] for each slip system and instance + v0, & !dislocation velocity prefactor [m/s] for each slip system and instance tau_peierlsPerSlipFamily,& !< Peierls stress [Pa] for each family and instance - Ndot0PerTwinSystem, & !< twin nucleation rate [1/m³s] for each twin system and instance - Ndot0PerTransSystem, & !< trans nucleation rate [1/m³s] for each trans system and instance - twinsizePerTwinSystem, & !< twin thickness [m] for each twin system and instance + Ndot0_twin, & !< twin nucleation rate [1/m³s] for each twin system and instance + Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system and instance + twinsize, & !< twin thickness [m] for each twin system and instance CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance - pPerSlipFamily, & !< p-exponent in glide velocity - qPerSlipFamily, & !< q-exponent in glide velocity - rPerTwinFamily, & !< r-exponent in twin nucleation rate - sPerTransFamily !< s-exponent in trans nucleation rate + p, & !< p-exponent in glide velocity + q, & !< q-exponent in glide velocity + r, & !< r-exponent in twin nucleation rate + s !< s-exponent in trans nucleation rate + real(pReal), dimension(:,:), allocatable, private :: & + interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance + interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance + interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance + interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance + interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance + interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance + interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance end type type(tParameters), dimension(:), allocatable, private, target :: param !< containers of constitutive parameters (len Ninstance) @@ -246,7 +218,7 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState use config, only: & MATERIAL_partPhase, & - phaseConfig + config_phase use lattice use numerics,only: & numerics_integrator @@ -254,18 +226,17 @@ subroutine plastic_dislotwin_init(fileUnit) implicit none integer(pInt), intent(in) :: fileUnit - integer(pInt), allocatable, dimension(:) :: chunkPos - integer(pInt) :: maxNinstance,mySize=0_pInt,phase,maxTotalNslip,maxTotalNtwin,maxTotalNtrans,& - f,instance,j,i,k,l,m,n,o,p,q,r,s,ns,nt,nr, & - Nchunks_SlipSlip = 0_pInt, Nchunks_SlipTwin = 0_pInt, & - Nchunks_TwinSlip = 0_pInt, Nchunks_TwinTwin = 0_pInt, & - Nchunks_SlipTrans = 0_pInt, Nchunks_TransSlip = 0_pInt, Nchunks_TransTrans = 0_pInt, & - Nchunks_SlipFamilies = 0_pInt, Nchunks_TwinFamilies = 0_pInt, Nchunks_TransFamilies = 0_pInt, & + integer(pInt) :: maxNinstance,& + f,instance,j,i,k,l,m,n,o,p,q,r,s,p1, & offset_slip, index_myFamily, index_otherFamily, & startIndex, endIndex, outputID,outputSize integer(pInt) :: sizeState, sizeDotState, sizeDeltaState integer(pInt) :: NofMyPhase + real(pReal), dimension(:,:,:,:,:), allocatable :: & + Ctwin3333, & !< twin elasticity matrix for each instance + Ctrans3333 !< trans elasticity matrix for each instance + real(pReal), allocatable, dimension(:) :: & invLambdaSlip0,& MeanFreePathSlip0,& @@ -274,20 +245,20 @@ subroutine plastic_dislotwin_init(fileUnit) tauSlipThreshold0,& TwinVolume0,& MartensiteVolume0 + + real(pReal), allocatable, dimension(:,:) :: temp1,temp2,temp3 character(len=65536) :: & - tag = '', & - line = '' + tag = '' character(len=65536), dimension(:), allocatable :: outputs integer(pInt), dimension(0), parameter :: emptyInt = [integer(pInt)::] real(pReal), dimension(0), parameter :: emptyReal = [real(pReal)::] character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::] - + type(tParameters), pointer :: prm - real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin, tempPerTrans write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' write(6,'(/,a)') ' A. Ma and F. Roters, Acta Materialia, 52(12):3603–3612, 2004' @@ -305,136 +276,130 @@ subroutine plastic_dislotwin_init(fileUnit) if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance - allocate(plastic_dislotwin_sizePostResults(maxNinstance), source=0_pInt) + allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) allocate(plastic_dislotwin_output(maxval(phase_Noutput),maxNinstance)) plastic_dislotwin_output = '' - - allocate(plastic_dislotwin_Noutput(maxNinstance), source=0_pInt) - allocate(param(maxNinstance)) - allocate(totalNslip(maxNinstance), source=0_pInt) - allocate(totalNtwin(maxNinstance), source=0_pInt) - allocate(totalNtrans(maxNinstance), source=0_pInt) - allocate(Nslip(lattice_maxNslipFamily,maxNinstance), source=0_pInt) - allocate(Ntwin(lattice_maxNtwinFamily,maxNinstance), source=0_pInt) - allocate(Ntrans(lattice_maxNtransFamily,maxNinstance), source=0_pInt) - allocate(interaction_SlipSlip(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(interaction_SlipTwin(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(interaction_TwinSlip(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(interaction_TwinTwin(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(interaction_SlipTrans(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(interaction_TransSlip(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(interaction_TransTrans(lattice_maxNinteraction,maxNinstance), & - source=0.0_pReal) - allocate(sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), & - source=0.0_pReal) + allocate(sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) - do phase = 1_pInt, size(phase_plasticityInstance) - if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then - instance = phase_plasticityInstance(phase) - prm => param(instance) + do p = 1_pInt, size(phase_plasticityInstance) + if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle + instance = phase_plasticityInstance(p) + prm => param(instance) - prm%Nslip = phaseConfig(phase)%getInts('nslip',defaultVal=emptyInt) - !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) - if (sum(prm%Nslip) > 0_pInt) then - prm%rho0 = phaseConfig(phase)%getFloats('rhoedge0') - prm%rhoDip0 = phaseConfig(phase)%getFloats('rhoedgedip0') - prm%burgers_slip = phaseConfig(phase)%getFloats('slipburgers') - !prm%burgers_slip = math_expand(prm%burgers_slip,Nslip(:,instance)) - prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip(:)) - prm%QedgePerSlipSystem = phaseConfig(phase)%getFloats('qedge') - !prm%QedgePerSlipSystem = math_expand(prm%QedgePerSlipSystem,Nslip(:,instance)) - prm%QedgePerSlipSystem = math_expand(prm%QedgePerSlipSystem,prm%Nslip(:)) - prm%aTolRho = phaseConfig(phase)%getFloat('atol_rho') - prm%v0PerSlipSystem = phaseConfig(phase)%getFloats('v0') - prm%v0PerSlipSystem = math_expand(prm%v0PerSlipSystem,Nslip(:,instance)) - prm%tau_peierlsPerSlipFamily = phaseConfig(phase)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) - prm%CEdgeDipMinDistance = phaseConfig(phase)%getFloat('cedgedipmindistance') - prm%CLambdaSlipPerSlipSystem = phaseConfig(phase)%getFloats('clambdaslip') - !prm%CLambdaSlipPerSlipSystem= math_expand(prm%CLambdaSlipPerSlipSystem,Nslip(:,instance)) - prm%CLambdaSlipPerSlipSystem= math_expand(prm%CLambdaSlipPerSlipSystem,prm%Nslip(:)) - write(6,*) Nslip(:,instance) - write (6,*) (prm%CLambdaSlipPerSlipSystem(1_pInt)) - prm%pPerSlipFamily = phaseConfig(phase)%getFloats('p_slip') - prm%qPerSlipFamily = phaseConfig(phase)%getFloats('q_slip') - endif + prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyInt) + if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') + if (any(lattice_NslipSystem(1:size(prm%Nslip),p)-prm%Nslip < 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') + if (any(prm%Nslip < 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') + prm%totalNslip = sum(prm%Nslip) - prm%Ntwin = phaseConfig(phase)%getInts('ntwin', defaultVal=emptyInt) - !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) - if (sum(prm%Ntwin) > 0_pInt) then - prm%burgers_twin = phaseConfig(phase)%getFloats('twinburgers') - ! prm%burgers_twin = math_expand(prm%burgers_twin,Ntwin(:,instance)) - prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin(:)) - prm%xc_twin = phaseConfig(phase)%getFloat('xc_twin') - - prm%aTolTwinFrac = phaseConfig(phase)%getFloat('atol_twinfrac') - prm%L0_twin = phaseConfig(phase)%getFloat('l0_twin') - if (lattice_structure(phase) /= LATTICE_fcc_ID) then - prm%Ndot0PerTwinSystem = phaseConfig(phase)%getFloats('ndot0_twin') - prm%Ndot0PerTwinSystem = math_expand(prm%Ndot0PerTwinSystem,prm%Ntwin(:)) + if (prm%totalNslip > 0_pInt) then + prm%rho0 = config_phase(p)%getFloats('rhoedge0') + prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0') + + prm%burgers_slip = config_phase(p)%getFloats('slipburgers') + if (size(prm%burgers_slip) /= size(prm%Nslip)) call IO_error(150_pInt,ext_msg='slipburgers') + prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) + + prm%Qedge = config_phase(p)%getFloats('qedge') + prm%Qedge = math_expand(prm%Qedge,prm%Nslip) + + prm%v0 = config_phase(p)%getFloats('v0') + prm%v0 = math_expand(prm%v0,prm%Nslip) + + + prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') + + prm%CLambdaSlipPerSlipSystem = config_phase(p)%getFloats('clambdaslip') + prm%CLambdaSlipPerSlipSystem= math_expand(prm%CLambdaSlipPerSlipSystem,prm%Nslip) + + prm%tau_peierlsPerSlipFamily = config_phase(p)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) + + prm%p = config_phase(p)%getFloats('p_slip') + prm%q = config_phase(p)%getFloats('q_slip') + endif + + prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyInt) + if (size(prm%Ntwin) > count(lattice_NtwinSystem(:,p) > 0_pInt)) call IO_error(150_pInt,ext_msg='Ntwin') + if (any(lattice_NtwinSystem(1:size(prm%Ntwin),p)-prm%Ntwin < 0_pInt)) call IO_error(150_pInt,ext_msg='Ntwin') + if (any(prm%Ntwin < 0_pInt)) call IO_error(150_pInt,ext_msg='Ntwin') + prm%totalNtwin = sum(prm%Ntwin) + + if (prm%totalNtwin > 0_pInt) then + prm%burgers_twin = config_phase(p)%getFloats('twinburgers') + prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) + + prm%xc_twin = config_phase(p)%getFloat('xc_twin') + + + if (lattice_structure(p) /= LATTICE_fcc_ID) then + prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') + prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) endif - ! prm%Ndot0PerTwinSystem = math_expand(prm%Ndot0PerTwinSystem,Ntwin(:,instance)) - prm%twinsizePerTwinSystem = phaseConfig(phase)%getFloats('twinsize') - prm%twinsizePerTwinSystem= math_expand(prm%twinsizePerTwinSystem,prm%Ntwin(:)) - ! prm%twinsizePerTwinSystem= math_expand(prm%twinsizePerTwinSystem,Ntwin(:,instance)) - prm%rPerTwinFamily = phaseConfig(phase)%getFloats('r_twin') + + prm%twinsize = config_phase(p)%getFloats('twinsize') + prm%twinsize= math_expand(prm%twinsize,prm%Ntwin) + + prm%r = config_phase(p)%getFloats('r_twin') + + + prm%L0_twin = config_phase(p)%getFloat('l0_twin') + + endif - prm%Ntrans = phaseConfig(phase)%getInts('ntrans', defaultVal=emptyInt) + prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyInt) !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) if (sum(prm%Ntrans) > 0_pInt) then - prm%burgers_trans = phaseConfig(phase)%getFloats('transburgers') - ! prm%burgers_trans = math_expand(prm%burgers_trans,Ntrans(:,instance)) - prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans(:)) - prm%Cthresholdtrans = phaseConfig(phase)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%transStackHeight = phaseConfig(phase)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%Cmfptrans = phaseConfig(phase)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%deltaG = phaseConfig(phase)%getFloat('deltag') - prm%xc_trans = phaseConfig(phase)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%L0_trans = phaseConfig(phase)%getFloat('l0_trans') - prm%aTolTransFrac = phaseConfig(phase)%getFloat('atol_transfrac') - if (lattice_structure(phase) /= LATTICE_fcc_ID) then - prm%Ndot0PerTransSystem = phaseConfig(phase)%getFloats('ndot0_trans') - ! prm%Ndot0PerTransSystem = math_expand(prm%Ndot0PerTransSystem,Ntrans(:,instance)) - prm%Ndot0PerTransSystem = math_expand(prm%Ndot0PerTransSystem,prm%Ntrans(:)) + prm%burgers_trans = config_phase(p)%getFloats('transburgers') + prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) + + prm%Cthresholdtrans = config_phase(p)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%transStackHeight = config_phase(p)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%Cmfptrans = config_phase(p)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%deltaG = config_phase(p)%getFloat('deltag') + prm%xc_trans = config_phase(p)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%L0_trans = config_phase(p)%getFloat('l0_trans') + + if (lattice_structure(p) /= LATTICE_fcc_ID) then + prm%Ndot0_trans = config_phase(p)%getFloats('ndot0_trans') + prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans) endif - prm%lamellarsizePerTransSystem = phaseConfig(phase)%getFloats('lamellarsize') - ! prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,Ntrans(:,instance)) - prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans(:)) - prm%sPerTransFamily = phaseConfig(phase)%getFloats('s_trans',defaultVal=[0.0_pReal]) + prm%lamellarsizePerTransSystem = config_phase(p)%getFloats('lamellarsize') + prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans) + prm%s = config_phase(p)%getFloats('s_trans',defaultVal=[0.0_pReal]) endif if (sum(prm%Ntwin) > 0_pInt .or. sum(prm%Ntrans) > 0_pInt) then - prm%SFE_0K = phaseConfig(phase)%getFloat('sfe_0k') - prm%dSFE_dT = phaseConfig(phase)%getFloat('dsfe_dt') - prm%VcrossSlip = phaseConfig(phase)%getFloat('vcrossslip') + prm%SFE_0K = config_phase(p)%getFloat('sfe_0k') + prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt') + prm%VcrossSlip = config_phase(p)%getFloat('vcrossslip') endif - prm%sbResistance = phaseConfig(phase)%getFloat('shearbandresistance',defaultVal=0.0_pReal) - prm%sbVelocity = phaseConfig(phase)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) + prm%aTolRho = config_phase(p)%getFloat('atol_rho') + prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac') + prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac') - prm%CAtomicVolume = phaseConfig(phase)%getFloat('catomicvolume') - prm%GrainSize = phaseConfig(phase)%getFloat('grainsize') - prm%MaxTwinFraction = phaseConfig(phase)%getFloat('maxtwinfraction') ! ToDo: only used in postResults - prm%pShearBand = phaseConfig(phase)%getFloat('p_shearband') - prm%qShearBand = phaseConfig(phase)%getFloat('q_shearband') - prm%D0 = phaseConfig(phase)%getFloat('d0') - prm%Qsd = phaseConfig(phase)%getFloat('qsd') - prm%SolidSolutionStrength = phaseConfig(phase)%getFloat('solidsolutionstrength') - prm%dipoleFormationFactor= phaseConfig(phase)%getFloat('dipoleformationfactor', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%sbQedge = phaseConfig(phase)%getFloat('qedgepersbsystem') + prm%CAtomicVolume = config_phase(p)%getFloat('catomicvolume') + prm%GrainSize = config_phase(p)%getFloat('grainsize') + prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults + + prm%D0 = config_phase(p)%getFloat('d0') + prm%Qsd = config_phase(p)%getFloat('qsd') + prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') + prm%dipoleFormationFactor= config_phase(p)%getFloat('dipoleformationfactor', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + + prm%sbResistance = config_phase(p)%getFloat('shearbandresistance',defaultVal=0.0_pReal) + prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) + prm%sbQedge = config_phase(p)%getFloat('qedgepersbsystem') + prm%pShearBand = config_phase(p)%getFloat('p_shearband') + prm%qShearBand = config_phase(p)%getFloat('q_shearband') - outputs = phaseConfig(phase)%getStrings('(output)', defaultVal=emptyString) + outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyString) allocate(prm%outputID(0)) do i= 1_pInt, size(outputs) outputID = undefined_ID @@ -537,151 +502,14 @@ subroutine plastic_dislotwin_init(fileUnit) endif enddo - endif enddo - - rewind(fileUnit) - phase = 0_pInt - do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= MATERIAL_partPhase) ! wind forward to - line = IO_read(fileUnit) - enddo - parsingFile: do while (trim(line) /= IO_EOF) ! read through sections of phase part - line = IO_read(fileUnit) - if (IO_isBlank(line)) cycle ! skip empty lines - if (IO_getTag(line,'<','>') /= '') then ! stop at next part - line = IO_read(fileUnit, .true.) ! reset IO_read - exit - endif - if (IO_getTag(line,'[',']') /= '') then ! next phase section - phase = phase + 1_pInt ! advance phase section counter - if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then - instance = phase_plasticityInstance(phase) - Nchunks_SlipFamilies = count(lattice_NslipSystem(:,phase) > 0_pInt) - Nchunks_TwinFamilies = count(lattice_NtwinSystem(:,phase) > 0_pInt) - Nchunks_TransFamilies = count(lattice_NtransSystem(:,phase)> 0_pInt) - Nchunks_SlipSlip = maxval(lattice_interactionSlipSlip(:,:,phase)) - Nchunks_SlipTwin = maxval(lattice_interactionSlipTwin(:,:,phase)) - Nchunks_TwinSlip = maxval(lattice_interactionTwinSlip(:,:,phase)) - Nchunks_TwinTwin = maxval(lattice_interactionTwinTwin(:,:,phase)) - Nchunks_SlipTrans = maxval(lattice_interactionSlipTrans(:,:,phase)) - Nchunks_TransSlip = maxval(lattice_interactionTransSlip(:,:,phase)) - Nchunks_TransTrans = maxval(lattice_interactionTransTrans(:,:,phase)) - if(allocated(tempPerSlip)) deallocate(tempPerSlip) - if(allocated(tempPerTwin)) deallocate(tempPerTwin) - if(allocated(tempPerTrans)) deallocate(tempPerTrans) - allocate(tempPerSlip(Nchunks_SlipFamilies)) - allocate(tempPerTwin(Nchunks_TwinFamilies)) - allocate(tempPerTrans(Nchunks_TransFamilies)) - endif - cycle ! skip to next line - endif + sanityChecks: do p = 1_pInt, size(phase_plasticity) + myPhase: if (phase_plasticity(p) == PLASTICITY_dislotwin_ID) then + instance = phase_plasticityInstance(p) - if (phase > 0_pInt ) then; if (phase_plasticity(phase) == PLASTICITY_DISLOTWIN_ID) then ! do not short-circuit here (.and. with next if statemen). It's not safe in Fortran - instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase - chunkPos = IO_stringPos(line) - tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key - select case(tag) - - -!-------------------------------------------------------------------------------------------------- -! parameters depending on number of slip system families - case ('nslip') - if (chunkPos(1) < Nchunks_SlipFamilies + 1_pInt) & - call IO_warning(50_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - if (chunkPos(1) > Nchunks_SlipFamilies + 1_pInt) & - call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - Nchunks_SlipFamilies = chunkPos(1) - 1_pInt - do j = 1_pInt, Nchunks_SlipFamilies - - Nslip(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) - enddo - -!-------------------------------------------------------------------------------------------------- -! parameters depending on slip number of twin families - case ('ntwin') - if (chunkPos(1) < Nchunks_TwinFamilies + 1_pInt) & - call IO_warning(51_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - if (chunkPos(1) > Nchunks_TwinFamilies + 1_pInt) & - call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - Nchunks_TwinFamilies = chunkPos(1) - 1_pInt - do j = 1_pInt, Nchunks_TwinFamilies - Ntwin(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) - enddo - -!-------------------------------------------------------------------------------------------------- -! parameters depending on number of transformation system families - case ('ntrans') - if (chunkPos(1) < Nchunks_TransFamilies + 1_pInt) & - call IO_warning(53_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - if (chunkPos(1) > Nchunks_TransFamilies + 1_pInt) & - call IO_error(150_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - Nchunks_TransFamilies = chunkPos(1) - 1_pInt - do j = 1_pInt, Nchunks_TransFamilies - Ntrans(j,instance) = IO_intValue(line,chunkPos,1_pInt+j) - enddo -!-------------------------------------------------------------------------------------------------- -! parameters depending on number of interactions - case ('interaction_slipslip','interactionslipslip') - if (chunkPos(1) < 1_pInt + Nchunks_SlipSlip) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_SlipSlip - interaction_SlipSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_sliptwin','interactionsliptwin') - if (chunkPos(1) < 1_pInt + Nchunks_SlipTwin) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_SlipTwin - interaction_SlipTwin(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_twinslip','interactiontwinslip') - if (chunkPos(1) < 1_pInt + Nchunks_TwinSlip) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TwinSlip - interaction_TwinSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_twintwin','interactiontwintwin') - if (chunkPos(1) < 1_pInt + Nchunks_TwinTwin) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TwinTwin - interaction_TwinTwin(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_sliptrans','interactionsliptrans') - if (chunkPos(1) < 1_pInt + Nchunks_SlipTrans) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_SlipTrans - interaction_SlipTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_transslip','interactiontransslip') - if (chunkPos(1) < 1_pInt + Nchunks_TransSlip) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TransSlip - interaction_TransSlip(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - case ('interaction_transtrans','interactiontranstrans') - if (chunkPos(1) < 1_pInt + Nchunks_TransTrans) & - call IO_warning(52_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_DISLOTWIN_label//')') - do j = 1_pInt, Nchunks_TransTrans - interaction_TransTrans(j,instance) = IO_floatValue(line,chunkPos,1_pInt+j) - enddo - - end select - endif; endif - enddo parsingFile - - sanityChecks: do phase = 1_pInt, size(phase_plasticity) - myPhase: if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then - instance = phase_plasticityInstance(phase) - - if (sum(Nslip(:,instance)) < 0_pInt) & - call IO_error(211_pInt,el=instance,ext_msg='Nslip ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(Ntwin(:,instance)) < 0_pInt) & - call IO_error(211_pInt,el=instance,ext_msg='Ntwin ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(Ntrans(:,instance)) < 0_pInt) & - call IO_error(211_pInt,el=instance,ext_msg='Ntrans ('//PLASTICITY_DISLOTWIN_label//')') do f = 1_pInt,lattice_maxNslipFamily - if (Nslip(f,instance) > 0_pInt) then ! if (rhoEdge0(f,instance) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') ! if (rhoEdgeDip0(f,instance) < 0.0_pReal) & @@ -692,15 +520,12 @@ subroutine plastic_dislotwin_init(fileUnit) ! call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') !if (prm%tau_peierlsPerSlipFamily(f) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') - endif enddo do f = 1_pInt,lattice_maxNtwinFamily - if (Ntwin(f,instance) > 0_pInt) then ! if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') !if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') - endif enddo if (param(instance)%CAtomicVolume <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') @@ -708,20 +533,20 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%Qsd <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') - if (sum(Ntwin(:,instance)) > 0_pInt) then + if (prm%totalNtwin > 0_pInt) then if (dEq0(param(instance)%SFE_0K) .and. & dEq0(param(instance)%dSFE_dT) .and. & - lattice_structure(phase) == LATTICE_fcc_ID) & + lattice_structure(p) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%aTolRho <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%aTolTwinFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (sum(Ntrans(:,instance)) > 0_pInt) then + if (prm%totalNtrans > 0_pInt) then if (dEq0(param(instance)%SFE_0K) .and. & dEq0(param(instance)%dSFE_dT) .and. & - lattice_structure(phase) == LATTICE_fcc_ID) & + lattice_structure(p) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') if (param(instance)%aTolTransFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') @@ -742,160 +567,82 @@ subroutine plastic_dislotwin_init(fileUnit) !-------------------------------------------------------------------------------------------------- ! Determine total number of active slip or twin systems - Nslip(:,instance) = min(lattice_NslipSystem(:,phase),Nslip(:,instance)) - Ntwin(:,instance) = min(lattice_NtwinSystem(:,phase),Ntwin(:,instance)) - Ntrans(:,instance)= min(lattice_NtransSystem(:,phase),Ntrans(:,instance)) - totalNslip(instance) = sum(Nslip(:,instance)) - totalNtwin(instance) = sum(Ntwin(:,instance)) - totalNtrans(instance) = sum(Ntrans(:,instance)) endif myPhase enddo sanityChecks -!-------------------------------------------------------------------------------------------------- -! allocation of variables whose size depends on the total number of active slip systems - maxTotalNslip = maxval(totalNslip) - maxTotalNtwin = maxval(totalNtwin) - maxTotalNtrans = maxval(totalNtrans) + ! ToDo: this should be stored somewhere else. Will work only for one instance now - allocate(tau_r_twin(maxTotalNtwin, maxNinstance), source=0.0_pReal) - allocate(tau_r_trans(maxTotalNtrans, maxNinstance), source=0.0_pReal) - allocate(interactionMatrix_SlipSlip(maxval(totalNslip),& ! slip resistance from slip activity - maxval(totalNslip),& - maxNinstance), source=0.0_pReal) - allocate(interactionMatrix_SlipTwin(maxval(totalNslip),& ! slip resistance from twin activity - maxval(totalNtwin),& - maxNinstance), source=0.0_pReal) - allocate(interactionMatrix_TwinSlip(maxval(totalNtwin),& ! twin resistance from slip activity - maxval(totalNslip),& - maxNinstance), source=0.0_pReal) - allocate(interactionMatrix_TwinTwin(maxval(totalNtwin),& ! twin resistance from twin activity - maxval(totalNtwin),& - maxNinstance), source=0.0_pReal) - allocate(interactionMatrix_SlipTrans(maxval(totalNslip),& ! slip resistance from trans activity - maxval(totalNtrans),& - maxNinstance), source=0.0_pReal) - allocate(interactionMatrix_TransSlip(maxval(totalNtrans),& ! trans resistance from slip activity - maxval(totalNslip),& - maxNinstance), source=0.0_pReal) - allocate(interactionMatrix_TransTrans(maxval(totalNtrans),& ! trans resistance from trans activity - maxval(totalNtrans),& - maxNinstance), source=0.0_pReal) - allocate(forestProjectionEdge(maxTotalNslip,maxTotalNslip,maxNinstance), & - source=0.0_pReal) - allocate(projectionMatrix_Trans(maxTotalNtrans,maxTotalNslip,maxNinstance), & - source=0.0_pReal) - allocate(Ctwin66(6,6,maxTotalNtwin,maxNinstance), source=0.0_pReal) - allocate(Ctwin3333(3,3,3,3,maxTotalNtwin,maxNinstance), source=0.0_pReal) - allocate(Ctrans66(6,6,maxTotalNtrans,maxNinstance), source=0.0_pReal) - allocate(Ctrans3333(3,3,3,3,maxTotalNtrans,maxNinstance), source=0.0_pReal) + allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal) + allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal) + + allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal) + allocate(projectionMatrix_Trans(prm%totalNtrans,prm%totalNslip,maxNinstance), source=0.0_pReal) + + allocate(Ctwin66(6,6,prm%totalNtwin,maxNinstance), source=0.0_pReal) + allocate(Ctrans66(6,6,prm%totalNtrans,maxNinstance), source=0.0_pReal) + + allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) + allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) allocate(state(maxNinstance)) allocate(state0(maxNinstance)) allocate(dotState(maxNinstance)) - initializeInstances: do phase = 1_pInt, size(phase_plasticity) - myPhase2: if (phase_plasticity(phase) == PLASTICITY_dislotwin_ID) then - NofMyPhase=count(material_phase==phase) - instance = phase_plasticityInstance(phase) + initializeInstances: do p = 1_pInt, size(phase_plasticity) + myPhase2: if (phase_plasticity(p) == PLASTICITY_dislotwin_ID) then + NofMyPhase=count(material_phase==p) + instance = phase_plasticityInstance(p) - ns = totalNslip(instance) - nt = totalNtwin(instance) - nr = totalNtrans(instance) - -!-------------------------------------------------------------------------------------------------- -! Determine size of postResults array - outputsLoop: do o = 1_pInt,plastic_dislotwin_Noutput(instance) - select case(param(instance)%outputID(o)) - case(edge_density_ID, & - dipole_density_ID, & - shear_rate_slip_ID, & - accumulated_shear_slip_ID, & - mfp_slip_ID, & - resolved_stress_slip_ID, & - threshold_stress_slip_ID, & - edge_dipole_distance_ID, & - stress_exponent_ID & - ) - mySize = ns - case(twin_fraction_ID, & - shear_rate_twin_ID, & - accumulated_shear_twin_ID, & - mfp_twin_ID, & - resolved_stress_twin_ID, & - threshold_stress_twin_ID & - ) - mySize = nt - case(resolved_stress_shearband_ID, & - shear_rate_shearband_ID & - ) - mySize = 6_pInt - case(sb_eigenvalues_ID) - mySize = 3_pInt - case(sb_eigenvectors_ID) - mySize = 9_pInt - case(stress_trans_fraction_ID, & - strain_trans_fraction_ID, & - trans_fraction_ID & - ) - mySize = nr - end select - - if (mySize > 0_pInt) then ! any meaningful output found - plastic_dislotwin_sizePostResult(o,instance) = mySize - plastic_dislotwin_sizePostResults(instance) = plastic_dislotwin_sizePostResults(instance) + mySize - endif - enddo outputsLoop - !-------------------------------------------------------------------------------------------------- ! allocate state arrays - sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * ns & - + int(size(['twinFraction','accsheartwin']),pInt) * nt & - + int(size(['stressTransFraction','strainTransFraction']),pInt) * nr + sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * prm%totalNslip & + + int(size(['twinFraction','accsheartwin']),pInt) * prm%totalNtwin & + + int(size(['stressTransFraction','strainTransFraction']),pInt) * prm%totalNtrans sizeDeltaState = 0_pInt sizeState = sizeDotState & + int(size(['invLambdaSlip ','invLambdaSlipTwin ','invLambdaSlipTrans',& - 'meanFreePathSlip ','tauSlipThreshold ']),pInt) * ns & + 'meanFreePathSlip ','tauSlipThreshold ']),pInt) * prm%totalNslip & + int(size(['invLambdaTwin ','meanFreePathTwin','tauTwinThreshold',& - 'twinVolume ']),pInt) * nt & + 'twinVolume ']),pInt) * prm%totalNtwin & + int(size(['invLambdaTrans ','meanFreePathTrans','tauTransThreshold', & - 'martensiteVolume ']),pInt) * nr + 'martensiteVolume ']),pInt) * prm%totalNtrans - plasticState(phase)%sizeState = sizeState - plasticState(phase)%sizeDotState = sizeDotState - plasticState(phase)%sizeDeltaState = sizeDeltaState - plasticState(phase)%sizePostResults = plastic_dislotwin_sizePostResults(instance) - plasticState(phase)%nSlip = totalNslip(instance) - plasticState(phase)%nTwin = totalNtwin(instance) - plasticState(phase)%nTrans= totalNtrans(instance) - allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal) - allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal) + plasticState(p)%sizeState = sizeState + plasticState(p)%sizeDotState = sizeDotState + plasticState(p)%sizeDeltaState = sizeDeltaState + plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,instance)) + plasticState(p)%nSlip = prm%totalNslip + plasticState(p)%nTwin = prm%totalNtwin + plasticState(p)%nTrans= prm%totalNtrans + allocate(plasticState(p)%aTolState (sizeState), source=0.0_pReal) + allocate(plasticState(p)%state0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%state (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) if (any(numerics_integrator == 1_pInt)) then - allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) endif if (any(numerics_integrator == 4_pInt)) & - allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) if (any(numerics_integrator == 5_pInt)) & - allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) - offset_slip = 2_pInt*plasticState(phase)%nslip - plasticState(phase)%slipRate => & - plasticState(phase)%dotState(offset_slip+1:offset_slip+plasticState(phase)%nslip,1:NofMyPhase) - plasticState(phase)%accumulatedSlip => & - plasticState(phase)%state (offset_slip+1:offset_slip+plasticState(phase)%nslip,1:NofMyPhase) + allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) + offset_slip = 2_pInt*plasticState(p)%nslip + plasticState(p)%slipRate => & + plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) + plasticState(p)%accumulatedSlip => & + plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) !* Process slip related parameters ------------------------------------------------ slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(Nslip(1:f-1_pInt,instance)) ! index in truncated slip system list - slipSystemsLoop: do j = 1_pInt,Nslip(f,instance) + index_myFamily = sum(prm%Nslip(1:f-1_pInt)) ! index in truncated slip system list + slipSystemsLoop: do j = 1_pInt,prm%Nslip(f) !* Burgers vector, ! dislocation velocity prefactor, @@ -904,83 +651,84 @@ subroutine plastic_dislotwin_init(fileUnit) !* Calculation of forest projections for edge dislocations !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & - abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,phase))+j,phase), & - lattice_st(:,sum(lattice_NslipSystem(1:o-1,phase))+k,phase))) - interactionMatrix_SlipSlip(index_myFamily+j,index_otherFamily+k,instance) = & - interaction_SlipSlip(lattice_interactionSlipSlip( & - sum(lattice_NslipSystem(1:f-1,phase))+j, & - sum(lattice_NslipSystem(1:o-1,phase))+k, & - phase), instance ) + abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & + lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) + temp1(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_SlipSlip(lattice_interactionSlipSlip( & + sum(lattice_NslipSystem(1:f-1,p))+j, & + sum(lattice_NslipSystem(1:o-1,p))+k, & + p),1 ) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(Ntwin(1:o-1_pInt,instance)) - do k = 1_pInt,Ntwin(o,instance) ! loop over (active) systems in other family (twin) - interactionMatrix_SlipTwin(index_myFamily+j,index_otherFamily+k,instance) = & - interaction_SlipTwin(lattice_interactionSlipTwin( & - sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, & - phase), instance ) + index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) + do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) + temp2(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_SlipTwin(lattice_interactionSlipTwin( & + sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtwinSystem(1:o-1_pInt,p))+k, & + p),1 ) enddo; enddo do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(Ntrans(1:o-1_pInt,instance)) - do k = 1_pInt,Ntrans(o,instance) ! loop over (active) systems in other family (trans) - interactionMatrix_SlipTrans(index_myFamily+j,index_otherFamily+k,instance) = & - interaction_SlipTrans(lattice_interactionSlipTrans( & - sum(lattice_NslipSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NtransSystem(1:o-1_pInt,phase))+k, & - phase), instance ) + index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) + do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) + temp3(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_SlipTrans(lattice_interactionSlipTrans( & + sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & + p),1 ) enddo; enddo enddo slipSystemsLoop enddo slipFamiliesLoop - + + Ctwin3333 = 0.0_pReal !* Process twin related parameters ------------------------------------------------ twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily - index_myFamily = sum(Ntwin(1:f-1_pInt,instance)) ! index in truncated twin system list - twinSystemsLoop: do j = 1_pInt,Ntwin(f,instance) + index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list + twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f) ! nucleation rate prefactor, ! and twin size !* Rotate twin elasticity matrices - index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,phase)) ! index in full lattice twin list + index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt - do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - Ctwin3333(l,m,n,o,index_myFamily+j,instance) = & - Ctwin3333(l,m,n,o,index_myFamily+j,instance) + & - lattice_C3333(p,q,r,s,phase) * & - lattice_Qtwin(l,p,index_otherFamily+j,phase) * & - lattice_Qtwin(m,q,index_otherFamily+j,phase) * & - lattice_Qtwin(n,r,index_otherFamily+j,phase) * & - lattice_Qtwin(o,s,index_otherFamily+j,phase) + do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt + Ctwin3333(l,m,n,o,index_myFamily+j) = & + Ctwin3333(l,m,n,o,index_myFamily+j) + & + lattice_C3333(p1,q,r,s,p) * & + lattice_Qtwin(l,p1,index_otherFamily+j,p) * & + lattice_Qtwin(m,q,index_otherFamily+j,p) * & + lattice_Qtwin(n,r,index_otherFamily+j,p) * & + lattice_Qtwin(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo Ctwin66(1:6,1:6,index_myFamily+j,instance) = & - math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) + math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) - interactionMatrix_TwinSlip(index_myFamily+j,index_otherFamily+k,instance) = & - interaction_TwinSlip(lattice_interactionTwinSlip( & - sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, & - phase), instance ) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) + temp1(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TwinSlip(lattice_interactionTwinSlip( & + sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, & + sum(lattice_NslipSystem(1:o-1_pInt,p))+k, & + p),1 ) enddo; enddo do o = 1_pInt,lattice_maxNtwinFamily - index_otherFamily = sum(Ntwin(1:o-1_pInt,instance)) - do k = 1_pInt,Ntwin(o,instance) ! loop over (active) systems in other family (twin) - interactionMatrix_TwinTwin(index_myFamily+j,index_otherFamily+k,instance) = & - interaction_TwinTwin(lattice_interactionTwinTwin( & - sum(lattice_NtwinSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NtwinSystem(1:o-1_pInt,phase))+k, & - phase), instance ) + index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) + do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) + temp2(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TwinTwin(lattice_interactionTwinTwin( & + sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtwinSystem(1:o-1_pInt,p))+k, & + p),1 ) enddo; enddo enddo twinSystemsLoop @@ -988,58 +736,59 @@ subroutine plastic_dislotwin_init(fileUnit) !* Process transformation related parameters ------------------------------------------------ transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily - index_myFamily = sum(Ntrans(1:f-1_pInt,instance)) ! index in truncated trans system list - transSystemsLoop: do j = 1_pInt,Ntrans(f,instance) + index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list + transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) !* Burgers vector, ! nucleation rate prefactor, ! and martensite size !* Rotate trans elasticity matrices - index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,phase)) ! index in full lattice trans list + Ctrans3333 = 0.0_pReal + index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt - do p = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - Ctrans3333(l,m,n,o,index_myFamily+j,instance) = & - Ctrans3333(l,m,n,o,index_myFamily+j,instance) + & - lattice_trans_C3333(p,q,r,s,phase) * & - lattice_Qtrans(l,p,index_otherFamily+j,phase) * & - lattice_Qtrans(m,q,index_otherFamily+j,phase) * & - lattice_Qtrans(n,r,index_otherFamily+j,phase) * & - lattice_Qtrans(o,s,index_otherFamily+j,phase) + do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt + Ctrans3333(l,m,n,o,index_myFamily+j) = & + Ctrans3333(l,m,n,o,index_myFamily+j) + & + lattice_trans_C3333(p1,q,r,s,p) * & + lattice_Qtrans(l,p1,index_otherFamily+j,p) * & + lattice_Qtrans(m,q,index_otherFamily+j,p) * & + lattice_Qtrans(n,r,index_otherFamily+j,p) * & + lattice_Qtrans(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo Ctrans66(1:6,1:6,index_myFamily+j,instance) = & - math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j,instance)) + math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) !* Interaction matrices do o = 1_pInt,lattice_maxNslipFamily - index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (slip) - interactionMatrix_TransSlip(index_myFamily+j,index_otherFamily+k,instance) = & - interaction_TransSlip(lattice_interactionTransSlip( & - sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NslipSystem(1:o-1_pInt,phase))+k, & - phase), instance ) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) + temp1(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TransSlip(lattice_interactionTransSlip( & + sum(lattice_NtransSystem(1:f-1_pInt,p))+j, & + sum(lattice_NslipSystem(1:o-1_pInt,p))+k, & + p) ,1 ) enddo; enddo do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(Ntrans(1:o-1_pInt,instance)) - do k = 1_pInt,Ntrans(o,instance) ! loop over (active) systems in other family (trans) - interactionMatrix_TransTrans(index_myFamily+j,index_otherFamily+k,instance) = & - interaction_TransTrans(lattice_interactionTransTrans( & - sum(lattice_NtransSystem(1:f-1_pInt,phase))+j, & - sum(lattice_NtransSystem(1:o-1_pInt,phase))+k, & - phase), instance ) + index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) + do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) + temp2(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TransTrans(lattice_interactionTransTrans( & + sum(lattice_NtransSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & + p),1 ) enddo; enddo !* Projection matrices for shear from slip systems to fault-band (twin) systems for strain-induced martensite nucleation - select case(trans_lattice_structure(phase)) + select case(trans_lattice_structure(p)) case (LATTICE_bcc_ID) do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(Nslip(1:o-1_pInt,instance)) - do k = 1_pInt,Nslip(o,instance) ! loop over (active) systems in other family (trans) - projectionMatrix_Trans(index_myFamily+j,index_otherFamily+k,instance) = & - lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,phase))+j, & - sum(lattice_NslipSystem(1:o-1,phase))+k, phase) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (trans) + temp3(index_myFamily+j,index_otherFamily+k) = & + lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,p))+j, & + sum(lattice_NslipSystem(1:o-1,p))+k, p) enddo; enddo end select @@ -1047,136 +796,136 @@ subroutine plastic_dislotwin_init(fileUnit) enddo transFamiliesLoop startIndex=1_pInt - endIndex=ns - state(instance)%rhoEdge=>plasticState(phase)%state(startIndex:endIndex,:) - dotState(instance)%rhoEdge=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(prm%rho0,Nslip(instance,:)),2,NofMyPhase) - plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho + endIndex=prm%totalNslip + state(instance)%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) + plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolRho startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%rhoEdgeDip=>plasticState(phase)%state(startIndex:endIndex,:) - dotState(instance)%rhoEdgeDip=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(prm%rhoDip0,Nslip(instance,:)),2,NofMyPhase) - plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolRho + endIndex=endIndex+prm%totalNslip + state(instance)%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) + plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolRho startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%accshear_slip=>plasticState(phase)%state(startIndex:endIndex,:) - dotState(instance)%accshear_slip=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%aTolState(startIndex:endIndex) = 1e-6_pReal + endIndex=endIndex+prm%totalNslip + state(instance)%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = 1e-6_pReal startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%twinFraction=>plasticState(phase)%state(startIndex:endIndex,:) - dotState(instance)%twinFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolTwinFrac + endIndex=endIndex+prm%totalNtwin + state(instance)%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolTwinFrac startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%accshear_twin=>plasticState(phase)%state(startIndex:endIndex,:) - dotState(instance)%accshear_twin=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%aTolState(startIndex:endIndex) = 1e-6_pReal + endIndex=endIndex+prm%totalNtwin + state(instance)%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = 1e-6_pReal startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%stressTransFraction=>plasticState(phase)%state(startIndex:endIndex,:) - dotState(instance)%stressTransFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac + endIndex=endIndex+prm%totalNtrans + state(instance)%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%strainTransFraction=>plasticState(phase)%state(startIndex:endIndex,:) - dotState(instance)%strainTransFraction=>plasticState(phase)%dotState(startIndex:endIndex,:) - plasticState(phase)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac + endIndex=endIndex+prm%totalNtrans + state(instance)%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%invLambdaSlip=>plasticState(phase)%state(startIndex:endIndex,:) - invLambdaSlip0 = spread(0.0_pReal,1,ns) - forall (i = 1_pInt:ns) & - invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,Nslip(instance,:))+ & - math_expand(prm%rhoDip0,Nslip(instance,:)),forestProjectionEdge(1:ns,i,instance)))/ & + endIndex=endIndex+prm%totalNslip + state(instance)%invLambdaSlip=>plasticState(p)%state(startIndex:endIndex,:) + invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) + forall (i = 1_pInt:prm%totalNslip) & + invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & + math_expand(prm%rhoDip0,prm%Nslip),forestProjectionEdge(1:prm%totalNslip,i,instance)))/ & prm%CLambdaSlipPerSlipSystem(i) - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(invLambdaSlip0,Nslip(instance,:)),2, NofMyPhase) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%invLambdaSlipTwin=>plasticState(phase)%state(startIndex:endIndex,:) + endIndex=endIndex+prm%totalNslip + state(instance)%invLambdaSlipTwin=>plasticState(p)%state(startIndex:endIndex,:) startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%invLambdaTwin=>plasticState(phase)%state(startIndex:endIndex,:) + endIndex=endIndex+prm%totalNtwin + state(instance)%invLambdaTwin=>plasticState(p)%state(startIndex:endIndex,:) startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%invLambdaSlipTrans=>plasticState(phase)%state(startIndex:endIndex,:) + endIndex=endIndex+prm%totalNslip + state(instance)%invLambdaSlipTrans=>plasticState(p)%state(startIndex:endIndex,:) startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%invLambdaTrans=>plasticState(phase)%state(startIndex:endIndex,:) + endIndex=endIndex+prm%totalNtrans + state(instance)%invLambdaTrans=>plasticState(p)%state(startIndex:endIndex,:) startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%mfp_slip=>plasticState(phase)%state(startIndex:endIndex,:) - state0(instance)%mfp_slip=>plasticState(phase)%state0(startIndex:endIndex,:) + endIndex=endIndex+prm%totalNslip + state(instance)%mfp_slip=>plasticState(p)%state(startIndex:endIndex,:) + state0(instance)%mfp_slip=>plasticState(p)%state0(startIndex:endIndex,:) MeanFreePathSlip0 = param(instance)%GrainSize/(1.0_pReal+invLambdaSlip0*param(instance)%GrainSize) - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathSlip0,Nslip(instance,:)),2, NofMyPhase) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%mfp_twin=>plasticState(phase)%state(startIndex:endIndex,:) - MeanFreePathTwin0 = spread(param(instance)%GrainSize,1,nt) - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathTwin0,Ntwin(instance,:)),2, NofMyPhase) + endIndex=endIndex+prm%totalNtwin + state(instance)%mfp_twin=>plasticState(p)%state(startIndex:endIndex,:) + MeanFreePathTwin0 = spread(param(instance)%GrainSize,1,prm%totalNtwin) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%mfp_trans=>plasticState(phase)%state(startIndex:endIndex,:) - MeanFreePathTrans0 = spread(param(instance)%GrainSize,1,nr) - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathTrans0,Ntrans(instance,:)),2, NofMyPhase) + endIndex=endIndex+prm%totalNtrans + state(instance)%mfp_trans=>plasticState(p)%state(startIndex:endIndex,:) + MeanFreePathTrans0 = spread(param(instance)%GrainSize,1,prm%totalNtrans) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) startIndex=endIndex+1 - endIndex=endIndex+ns - state(instance)%threshold_stress_slip=>plasticState(phase)%state(startIndex:endIndex,:) - tauSlipThreshold0 = spread(0.0_pReal,1,ns) - forall (i = 1_pInt:ns) tauSlipThreshold0(i) = & - lattice_mu(phase)*prm%burgers_slip(i) * & - sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,Nslip(instance,:)),& - interactionMatrix_SlipSlip(i,1:ns,instance))) - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(tauSlipThreshold0,Nslip(instance,:)),2, NofMyPhase) + endIndex=endIndex+prm%totalNslip + state(instance)%threshold_stress_slip=>plasticState(p)%state(startIndex:endIndex,:) + tauSlipThreshold0 = spread(0.0_pReal,1,prm%totalNslip) + forall (i = 1_pInt:prm%totalNslip) tauSlipThreshold0(i) = & + lattice_mu(p)*prm%burgers_slip(i) * & + sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,prm%Nslip),& + prm%interaction_SlipSlip(i,1:prm%totalNslip))) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(tauSlipThreshold0,prm%Nslip),2, NofMyPhase) startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%threshold_stress_twin=>plasticState(phase)%state(startIndex:endIndex,:) + endIndex=endIndex+prm%totalNtwin + state(instance)%threshold_stress_twin=>plasticState(p)%state(startIndex:endIndex,:) startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%threshold_stress_trans=>plasticState(phase)%state(startIndex:endIndex,:) + endIndex=endIndex+prm%totalNtrans + state(instance)%threshold_stress_trans=>plasticState(p)%state(startIndex:endIndex,:) startIndex=endIndex+1 - endIndex=endIndex+nt - state(instance)%twinVolume=>plasticState(phase)%state(startIndex:endIndex,:) - TwinVolume0= spread(0.0_pReal,1,nt) - forall (i = 1_pInt:nt) TwinVolume0(i) = & - (PI/4.0_pReal)*prm%twinsizePerTwinSystem(i)*MeanFreePathTwin0(i)**2.0_pReal - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(TwinVolume0,Ntwin(instance,:)),2, NofMyPhase) + endIndex=endIndex+prm%totalNtwin + state(instance)%twinVolume=>plasticState(p)%state(startIndex:endIndex,:) + TwinVolume0= spread(0.0_pReal,1,prm%totalNtwin) + forall (i = 1_pInt:prm%totalNtwin) TwinVolume0(i) = & + (PI/4.0_pReal)*prm%twinsize(i)*MeanFreePathTwin0(i)**2.0_pReal + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(TwinVolume0,prm%Ntwin),2, NofMyPhase) startIndex=endIndex+1 - endIndex=endIndex+nr - state(instance)%martensiteVolume=>plasticState(phase)%state(startIndex:endIndex,:) - MartensiteVolume0= spread(0.0_pReal,1,nr) - forall (i = 1_pInt:nr) MartensiteVolume0(i) = & + endIndex=endIndex+prm%totalNtrans + state(instance)%martensiteVolume=>plasticState(p)%state(startIndex:endIndex,:) + MartensiteVolume0= spread(0.0_pReal,1,prm%totalNtrans) + forall (i = 1_pInt:prm%totalNtrans) MartensiteVolume0(i) = & (PI/4.0_pReal)*prm%lamellarsizePerTransSystem(i)*MeanFreePathTrans0(i)**2.0_pReal - plasticState(phase)%state0(startIndex:endIndex,:) = & - spread(math_expand(MartensiteVolume0,Ntrans(instance,:)),2, NofMyPhase) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) endif myPhase2 @@ -1203,8 +952,8 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) ipc, & !< component-ID of integration point ip, & !< integration point el !< element - - integer(pInt) :: instance,ns,nt,nr,i, & +type(tParameters), pointer :: prm + integer(pInt) :: instance,i, & ph, & of real(pReal) :: sumf, sumftr @@ -1213,24 +962,23 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = totalNslip(instance) - nt = totalNtwin(instance) - nr = totalNtrans(instance) + prm => param(instance) + !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 + sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:nr,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:nr,of)) + sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) !* Homogenized elasticity matrix plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) - do i=1_pInt,nt + do i=1_pInt,prm%totalNtwin plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & + state(instance)%twinFraction(i,of)*Ctwin66(1:6,1:6,i,instance) enddo - do i=1_pInt,nr + do i=1_pInt,prm%totalNtrans plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & + (state(instance)%stressTransFraction(i,of) + state(instance)%strainTransFraction(i,of))*& Ctrans66(1:6,1:6,i,instance) @@ -1247,7 +995,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) use material, only: & material_phase, & phase_plasticityInstance, & - !plasticState, & !!!!delete + plasticState, & phaseAt, phasememberAt use lattice, only: & lattice_mu, & @@ -1263,13 +1011,15 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) integer(pInt) :: & instance, & - ns,nt,nr,s,t,r, & + s,t,r, & ph, & of real(pReal) :: & - sumf,sfe,x0,sumftr - real(pReal), dimension(totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: fOverStacksize - real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + sumf,sfe,sumftr + real(pReal), dimension(:), allocatable :: & + x0 + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: fOverStacksize + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: & ftransOverLamellarSize type(tParameters), pointer :: prm @@ -1279,68 +1029,64 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = totalNslip(instance) - nt = totalNtwin(instance) - nr = totalNtrans(instance) prm => param(instance) !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 + sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:nr,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:nr,of)) + sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) !* Stacking fault energy sfe = param(instance)%SFE_0K + & param(instance)%dSFE_dT * Temperature !* rescaled twin volume fraction for topology - forall (t = 1_pInt:nt) & - fOverStacksize(t) = & - state(instance)%twinFraction(t,of)/prm%twinsizePerTwinSystem(t) + + fOverStacksize = & + state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !* rescaled trans volume fraction for topology - forall (r = 1_pInt:nr) & - ftransOverLamellarSize(r) = & - (state(instance)%stressTransFraction(r,of)+state(instance)%strainTransFraction(r,of))/& - prm%lamellarsizePerTransSystem(r) + ftransOverLamellarSize = & + (state(instance)%stressTransFraction(:,of)+state(instance)%strainTransFraction(:,of))/& + prm%lamellarsizePerTransSystem !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation - forall (s = 1_pInt:ns) & + forall (s = 1_pInt:prm%totalNslip) & state(instance)%invLambdaSlip(s,of) = & - sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& - forestProjectionEdge(1:ns,s,instance)))/ & + sqrt(dot_product((state(instance)%rhoEdge(1_pInt:prm%totalNslip,of)+state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& + forestProjectionEdge(1:prm%totalNslip,s,instance)))/ & prm%CLambdaSlipPerSlipSystem(s) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) - state(instance)%invLambdaSlipTwin(1_pInt:ns,of) = 0.0_pReal - if (nt > 0_pInt .and. ns > 0_pInt) & - state(instance)%invLambdaSlipTwin(1_pInt:ns,of) = & - matmul(interactionMatrix_SlipTwin(1:ns,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) + state(instance)%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = 0.0_pReal + if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & + state(instance)%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & + matmul(prm%interaction_SlipTwin(1:prm%totalNslip,1:prm%totalNtwin),fOverStacksize(1:prm%totalNtwin))/(1.0_pReal-sumf) !$OMP END CRITICAL (evilmatmul) !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin !$OMP CRITICAL (evilmatmul) - if (nt > 0_pInt) & - state(instance)%invLambdaTwin(1_pInt:nt,of) = & - matmul(interactionMatrix_TwinTwin(1:nt,1:nt,instance),fOverStacksize(1:nt))/(1.0_pReal-sumf) + if (prm%totalNtwin > 0_pInt) & + state(instance)%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & + matmul(prm%interaction_TwinTwin(1:prm%totalNtwin,1:prm%totalNtwin),fOverStacksize(1:prm%totalNtwin))/(1.0_pReal-sumf) !$OMP END CRITICAL (evilmatmul) !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation - state(instance)%invLambdaSlipTrans(1_pInt:ns,of) = 0.0_pReal - if (nr > 0_pInt .and. ns > 0_pInt) & - state(instance)%invLambdaSlipTrans(1_pInt:ns,of) = & - matmul(interactionMatrix_SlipTrans(1:ns,1:nr,instance),ftransOverLamellarSize(1:nr))/(1.0_pReal-sumftr) + state(instance)%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = 0.0_pReal + if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & + state(instance)%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & + matmul(prm%interaction_SlipTrans(1:prm%totalNslip,1:prm%totalNtrans),ftransOverLamellarSize)/(1.0_pReal-sumftr) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) - if (nr > 0_pInt) & - state(instance)%invLambdaTrans(1_pInt:nr,of) = & - matmul(interactionMatrix_TransTrans(1:nr,1:nr,instance),ftransOverLamellarSize(1:nr))/(1.0_pReal-sumftr) + if (prm%totalNtrans > 0_pInt) & + state(instance)%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & + matmul(prm%interaction_TransTrans(1:prm%totalNtrans,1:prm%totalNtrans),ftransOverLamellarSize)/(1.0_pReal-sumftr) !* mean free path between 2 obstacles seen by a moving dislocation - do s = 1_pInt,ns - if ((nt > 0_pInt) .or. (nr > 0_pInt)) then + do s = 1_pInt,prm%totalNslip + if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then state(instance)%mfp_slip(s,of) = & param(instance)%GrainSize/(1.0_pReal+param(instance)%GrainSize*& (state(instance)%invLambdaSlip(s,of) + & @@ -1354,73 +1100,66 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) enddo !* mean free path between 2 obstacles seen by a growing twin - forall (t = 1_pInt:nt) & - state(instance)%mfp_twin(t,of) = & + + state(instance)%mfp_twin(:,of) = & param(instance)%Cmfptwin*param(instance)%GrainSize/& - (1.0_pReal+param(instance)%GrainSize*state(ph)%invLambdaTwin(t,of)) + (1.0_pReal+param(instance)%GrainSize*state(ph)%invLambdaTwin(:,of)) !* mean free path between 2 obstacles seen by a growing martensite - forall (r = 1_pInt:nr) & - state(instance)%mfp_trans(r,of) = & + + state(instance)%mfp_trans(:,of) = & param(instance)%Cmfptrans*param(instance)%GrainSize/& - (1.0_pReal+param(instance)%GrainSize*state(instance)%invLambdaTrans(r,of)) + (1.0_pReal+param(instance)%GrainSize*state(instance)%invLambdaTrans(:,of)) !* threshold stress for dislocation motion - forall (s = 1_pInt:ns) & + forall (s = 1_pInt:prm%totalNslip) & state(instance)%threshold_stress_slip(s,of) = & lattice_mu(ph)*prm%burgers_slip(s)*& - sqrt(dot_product((state(instance)%rhoEdge(1_pInt:ns,of)+state(instance)%rhoEdgeDip(1_pInt:ns,of)),& - interactionMatrix_SlipSlip(s,1:ns,instance))) + sqrt(dot_product((state(instance)%rhoEdge(1_pInt:prm%totalNslip,of)+state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& + prm%interaction_SlipSlip(s,1:prm%totalNslip))) !* threshold stress for growing twin - forall (t = 1_pInt:nt) & - state(instance)%threshold_stress_twin(t,of) = & + state(instance)%threshold_stress_twin(:,of) = & param(instance)%Cthresholdtwin* & - (sfe/(3.0_pReal**prm%burgers_twin(t)) & - + 3.0_pReal*prm%burgers_twin(t)*lattice_mu(ph)/& - (param(instance)%L0_twin*prm%burgers_slip(t)) & + (sfe/(3.0_pReal**prm%burgers_twin & + + 3.0_pReal*prm%burgers_twin*lattice_mu(ph)/& + (param(instance)%L0_twin*prm%burgers_slip)) & ) !* threshold stress for growing martensite - forall (r = 1_pInt:nr) & - state(instance)%threshold_stress_trans(r,of) = & - param(instance)%Cthresholdtrans* & - (sfe/(3.0_pReal*prm%burgers_trans(r)) & - + 3.0_pReal*prm%burgers_trans(r)*lattice_mu(ph)/& - (param(instance)%L0_trans*prm%burgers_slip(r))& - + param(instance)%transStackHeight*param(instance)%deltaG/ & - (3.0_pReal*prm%burgers_trans(r)) & - ) + state(instance)%threshold_stress_trans(:,of) = & + param(instance)%Cthresholdtrans* & + (sfe/(3.0_pReal*prm%burgers_trans) & + + 3.0_pReal*prm%burgers_trans*lattice_mu(ph)/& + (param(instance)%L0_trans*prm%burgers_slip)& + + param(instance)%transStackHeight*param(instance)%deltaG/ & + (3.0_pReal*prm%burgers_trans) & + ) !* final twin volume after growth - forall (t = 1_pInt:nt) & - state(instance)%twinVolume(t,of) = & - (pi/4.0_pReal)*prm%twinsizePerTwinSystem(t)*& - state(instance)%mfp_twin(t,of)**2.0_pReal + state(instance)%twinVolume(:,of) = & + (pi/4.0_pReal)*prm%twinsize*& + state(instance)%mfp_twin(:,of)**2.0_pReal !* final martensite volume after growth - forall (r = 1_pInt:nr) & - state(instance)%martensiteVolume(r,of) = & - (pi/4.0_pReal)*prm%lamellarsizePerTransSystem(r)*& - state(instance)%mfp_trans(r,of)**(2.0_pReal) + state(instance)%martensiteVolume(:,of) = & + (pi/4.0_pReal)*prm%lamellarsizePerTransSystem*& + state(instance)%mfp_trans(:,of)**(2.0_pReal) - !* equilibrium separation of partial dislocations (twin) - do t = 1_pInt,nt - x0 = lattice_mu(ph)*prm%burgers_twin(t)**(2.0_pReal)/& + !* equilibrium separation of partial dislocations (twin) + x0 = lattice_mu(ph)*prm%burgers_twin**(2.0_pReal)/& (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - tau_r_twin(t,instance)= & - lattice_mu(ph)*prm%burgers_twin(t)/(2.0_pReal*pi)*& + tau_r_twin(:,instance)= & + lattice_mu(ph)*prm%burgers_twin/(2.0_pReal*pi)*& (1/(x0+param(instance)%xc_twin)+cos(pi/3.0_pReal)/x0) - enddo - !* equilibrium separation of partial dislocations (trans) - do r = 1_pInt,nr - x0 = lattice_mu(ph)*prm%burgers_trans(r)**(2.0_pReal)/& + + x0 = lattice_mu(ph)*prm%burgers_trans**(2.0_pReal)/& (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - tau_r_trans(r,instance)= & - lattice_mu(ph)*prm%burgers_trans(r)/(2.0_pReal*pi)*& + tau_r_trans(:,instance)= & + lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*pi)*& (1/(x0+param(instance)%xc_trans)+cos(pi/3.0_pReal)/x0) - enddo + end subroutine plastic_dislotwin_microstructure @@ -1442,6 +1181,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature math_mul33x3 use material, only: & material_phase, & + plasticState, & phase_plasticityInstance, & phaseAt, phasememberAt use lattice, only: & @@ -1469,15 +1209,15 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 - integer(pInt) :: instance,ph,of,ns,nt,nr,f,i,j,k,l,m,n,index_myFamily,s1,s2 + integer(pInt) :: instance,ph,of,f,i,j,k,l,m,n,index_myFamily,s1,s2 real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0_twin,stressRatio, & Ndot0_trans,StressRatio_s real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 - real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & gdot_slip,dgdot_dtauslip,tau_slip - real(pReal), dimension(totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: & gdot_twin,dgdot_dtautwin,tau_twin - real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: & gdot_trans,dgdot_dtautrans,tau_trans real(pReal), dimension(6) :: gdot_sb,dgdot_dtausb,tau_sb real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix @@ -1509,9 +1249,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = totalNslip(instance) - nt = totalNtwin(instance) - nr = totalNtrans(instance) + Lp = 0.0_pReal dLp_dTstar3333 = 0.0_pReal @@ -1523,9 +1261,9 @@ prm => param(instance) gdot_slip = 0.0_pReal dgdot_dtauslip = 0.0_pReal j = 0_pInt - slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily + slipFamiliesLoop: do f = 1_pInt,size(prm%Nslip,1) index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - slipSystemsLoop: do i = 1_pInt,Nslip(f,instance) + slipSystemsLoop: do i = 1_pInt,prm%Nslip(f) j = j+1_pInt !* Calculation of Lp @@ -1536,26 +1274,26 @@ prm => param(instance) !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) - StressRatio_p = stressRatio** prm%pPerSlipFamily(f) - StressRatio_pminus1 = stressRatio**(prm%pPerSlipFamily(f)-1.0_pReal) + StressRatio_p = stressRatio** prm%p(f) + StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)*& - prm%v0PerSlipSystem(j) + prm%v0(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0 & - * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%qPerSlipFamily(f)) & + * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(f)) & * sign(1.0_pReal,tau_slip(j)) !* Derivatives of shear rates dgdot_dtauslip(j) = & - abs(gdot_slip(j))*BoltzmannRatio*prm%pPerSlipFamily(f)& - *prm%qPerSlipFamily(f)/& + abs(gdot_slip(j))*BoltzmannRatio*prm%p(f)& + *prm%q(f)/& (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))*& - StressRatio_pminus1*(1-StressRatio_p)**(prm%qPerSlipFamily(f)-1.0_pReal) + StressRatio_pminus1*(1-StressRatio_p)**(prm%q(f)-1.0_pReal) endif !* Plastic velocity gradient for dislocation glide @@ -1573,11 +1311,11 @@ prm => param(instance) !-------------------------------------------------------------------------------------------------- ! correct Lp and dLp_dTstar3333 for twinned and transformed fraction !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 + sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:nr,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:nr,of)) + sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) Lp = Lp * (1.0_pReal - sumf - sumftr) dLp_dTstar3333 = dLp_dTstar3333 * (1.0_pReal - sumf - sumftr) @@ -1641,9 +1379,9 @@ prm => param(instance) gdot_twin = 0.0_pReal dgdot_dtautwin = 0.0_pReal j = 0_pInt - twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily + twinFamiliesLoop: do f = 1_pInt,size(prm%Ntwin,1) index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - twinSystemsLoop: do i = 1_pInt,Ntwin(f,instance) + twinSystemsLoop: do i = 1_pInt,prm%Ntwin(f) j = j+1_pInt !* Calculation of Lp @@ -1652,7 +1390,7 @@ prm => param(instance) !* Stress ratios if (tau_twin(j) > tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**prm%rPerTwinFamily(f) + StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**prm%r(f) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -1668,12 +1406,12 @@ prm => param(instance) Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=prm%Ndot0PerTwinSystem(j) + Ndot0_twin=prm%Ndot0_twin(j) end select gdot_twin(j) = & (1.0_pReal-sumf-sumftr)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dgdot_dtautwin(j) = ((gdot_twin(j)*prm%rPerTwinFamily(f))/tau_twin(j))*StressRatio_r + dgdot_dtautwin(j) = ((gdot_twin(j)*prm%r(f))/tau_twin(j))*StressRatio_r endif !* Plastic velocity gradient for mechanical twinning @@ -1692,9 +1430,9 @@ prm => param(instance) gdot_trans = 0.0_pReal dgdot_dtautrans = 0.0_pReal j = 0_pInt - transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily + transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - transSystemsLoop: do i = 1_pInt,Ntrans(f,instance) + transSystemsLoop: do i = 1_pInt,prm%Ntrans(f) j = j+1_pInt !* Resolved shear stress on transformation system @@ -1702,7 +1440,7 @@ prm => param(instance) !* Stress ratios if (tau_trans(j) > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**prm%sPerTransFamily(f) + StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**prm%s(f) !* Shear rates and their derivatives due to transformation select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -1718,12 +1456,12 @@ prm => param(instance) Ndot0_trans=0.0_pReal end if case default - Ndot0_trans=prm%Ndot0PerTransSystem(j) + Ndot0_trans=prm%Ndot0_trans(j) end select gdot_trans(j) = & (1.0_pReal-sumf-sumftr)*& state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) - dgdot_dtautrans(j) = ((gdot_trans(j)*prm%sPerTransFamily(f))/tau_trans(j))*StressRatio_s + dgdot_dtautrans(j) = ((gdot_trans(j)*prm%s(f))/tau_trans(j))*StressRatio_s endif !* Plastic velocity gradient for phase transformation @@ -1786,19 +1524,19 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) ip, & !< integration point el !< element - integer(pInt) :: instance,ns,nt,nr,f,i,j,index_myFamily,s1,s2, & + integer(pInt) :: instance,f,i,j,index_myFamily,s1,s2, & ph, & of real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation - real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & gdot_slip,tau_slip - real(pReal), dimension(totalNtwin(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: & tau_twin - real(pReal), dimension(totalNtrans(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: & tau_trans type(tParameters), pointer :: prm @@ -1807,24 +1545,22 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = totalNslip(instance) - nt = totalNtwin(instance) - nr = totalNtrans(instance) + prm => param(instance) !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 + sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 plasticState(ph)%dotState(:,of) = 0.0_pReal !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:nr,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:nr,of)) + sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) !* Dislocation density evolution gdot_slip = 0.0_pReal j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + do f = 1_pInt,size(prm%Nslip,1) index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j+1_pInt !* Resolved shear stress on slip system @@ -1834,18 +1570,18 @@ prm => param(instance) !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) - StressRatio_p = stressRatio** prm%pPerSlipFamily(f) - StressRatio_pminus1 = stressRatio**(prm%pPerSlipFamily(f)-1.0_pReal) + StressRatio_p = stressRatio** prm%p(f) + StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & plasticState(ph)%state(j, of)*prm%burgers_slip(j)*& - prm%v0PerSlipSystem(j) + prm%v0(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & - prm%qPerSlipFamily(f))*sign(1.0_pReal,tau_slip(j)) + prm%q(f))*sign(1.0_pReal,tau_slip(j)) endif !* Multiplication DotRhoMultiplication = abs(gdot_slip(j))/& @@ -1910,9 +1646,9 @@ prm => param(instance) !* Twin volume fraction evolution j = 0_pInt - do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families + do f = 1_pInt,size(prm%Ntwin,1) index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Ntwin(f,instance) ! process each (active) twin system in family + do i = 1_pInt,prm%Ntwin(f) ! process each (active) twin system in family j = j+1_pInt !* Resolved shear stress on twin system @@ -1920,7 +1656,7 @@ prm => param(instance) !* Stress ratios if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& - tau_twin(j))**prm%rPerTwinFamily(f) + tau_twin(j))**prm%r(f) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -1936,7 +1672,7 @@ prm => param(instance) Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=prm%Ndot0PerTwinSystem(j) + Ndot0_twin=prm%Ndot0_twin(j) end select dotState(instance)%twinFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& @@ -1950,9 +1686,9 @@ prm => param(instance) !* Transformation volume fraction evolution j = 0_pInt - do f = 1_pInt,lattice_maxNtransFamily ! loop over all trans families + do f = 1_pInt,size(prm%Ntrans,1) index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Ntrans(f,instance) ! process each (active) trans system in family + do i = 1_pInt,prm%Ntrans(f) ! process each (active) trans system in family j = j+1_pInt !* Resolved shear stress on transformation system @@ -1961,7 +1697,7 @@ prm => param(instance) !* Stress ratios if (tau_trans(j) > tol_math_check) then StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/& - tau_trans(j))**prm%sPerTransFamily(f) + tau_trans(j))**prm%s(f) !* Shear rates and their derivatives due to transformation select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -1977,7 +1713,7 @@ prm => param(instance) Ndot0_trans=0.0_pReal end if case default - Ndot0_trans=prm%Ndot0PerTransSystem(j) + Ndot0_trans=prm%Ndot0_trans(j) end select dotState(instance)%strainTransFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& @@ -2008,6 +1744,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) math_eigenValuesVectorsSym33 use material, only: & material_phase, & + plasticState, & phase_plasticityInstance,& phaseAt, phasememberAt use lattice, only: & @@ -2033,18 +1770,17 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) ip, & !< integration point el !< element - real(pReal), dimension(plastic_dislotwin_sizePostResults(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults) :: & plastic_dislotwin_postResults integer(pInt) :: & instance,& - ns,nt,nr,& f,o,i,c,j,index_myFamily,& s1,s2, & ph, & of real(pReal) :: sumf,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & stressRatio - real(preal), dimension(totalNslip(phase_plasticityInstance(material_phase(ipc,ip,el)))) :: & + real(preal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & gdot_slip real(pReal), dimension(3,3) :: eigVectors real(pReal), dimension (3) :: eigValues @@ -2055,31 +1791,29 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - ns = totalNslip(instance) - nt = totalNtwin(instance) - nr = totalNtrans(instance) + prm => param(instance) !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:nt,of)) ! safe for nt == 0 + sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 !* Required output c = 0_pInt plastic_dislotwin_postResults = 0.0_pReal - do o = 1_pInt,plastic_dislotwin_Noutput(instance) + do o = 1_pInt,size(param(instance)%outputID) select case(param(instance)%outputID(o)) case (edge_density_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) = state(instance)%rhoEdge(1_pInt:ns,of) - c = c + ns + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) = state(instance)%rhoEdge(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip case (dipole_density_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) = state(instance)%rhoEdgeDip(1_pInt:ns,of) - c = c + ns + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) = state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip case (shear_rate_slip_ID) j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + do f = 1_pInt,size(prm%Nslip,1) ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt ! could be taken from state by now! !* Resolved shear stress on slip system @@ -2090,52 +1824,52 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f))) - StressRatio_p = stressRatio** prm%pPerSlipFamily(f) - StressRatio_pminus1 = stressRatio**(prm%pPerSlipFamily(f)-1.0_pReal) + StressRatio_p = stressRatio** prm%p(f) + StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & - prm%v0PerSlipSystem(j) + prm%v0(j) !* Shear rates due to slip plastic_dislotwin_postResults(c+j) = & DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%qPerSlipFamily(f))*sign(1.0_pReal,tau) + prm%q(f))*sign(1.0_pReal,tau) else plastic_dislotwin_postResults(c+j) = 0.0_pReal endif enddo ; enddo - c = c + ns + c = c + prm%totalNslip case (accumulated_shear_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) = & - state(instance)%accshear_slip(1_pInt:ns,of) - c = c + ns + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) = & + state(instance)%accshear_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip case (mfp_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) =& - state(instance)%mfp_slip(1_pInt:ns,of) - c = c + ns + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) =& + state(instance)%mfp_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip case (resolved_stress_slip_ID) j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + do f = 1_pInt,size(prm%Nslip,1) ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) =& dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) enddo; enddo - c = c + ns + c = c + prm%totalNslip case (threshold_stress_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+ns) = & - state(instance)%threshold_stress_slip(1_pInt:ns,of) - c = c + ns + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) = & + state(instance)%threshold_stress_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip case (edge_dipole_distance_ID) j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + do f = 1_pInt,size(prm%Nslip,1) ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) = & (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& @@ -2145,7 +1879,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) ! plastic_dislotwin_postResults(c+j)=max(plastic_dislotwin_postResults(c+j),& ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) enddo; enddo - c = c + ns + c = c + prm%totalNslip case (resolved_stress_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearband families plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v, & @@ -2177,15 +1911,15 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) enddo c = c + 6_pInt case (twin_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nt) = state(instance)%twinFraction(1_pInt:nt,of) - c = c + nt + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%twinFraction(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin case (shear_rate_twin_ID) - if (nt > 0_pInt) then + if (prm%totalNtwin > 0_pInt) then j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system @@ -2196,21 +1930,21 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& - **prm%pPerSlipFamily(f) + **prm%p(f) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& - **(prm%pPerSlipFamily(f)-1.0_pReal) + **(prm%p(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & - prm%v0PerSlipSystem(j) + prm%v0(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%qPerSlipFamily(f))*sign(1.0_pReal,tau) + prm%q(f))*sign(1.0_pReal,tau) else gdot_slip(j) = 0.0_pReal endif @@ -2219,7 +1953,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1,Ntwin(f,instance) ! process each (active) twin system in family + do i = 1,prm%Ntwin(f) ! process each (active) twin system in family j = j + 1_pInt tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) @@ -2242,10 +1976,10 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) Ndot0_twin=0.0_pReal end if case default - Ndot0_twin=prm%Ndot0PerTwinSystem(j) + Ndot0_twin=prm%Ndot0_twin(j) end select StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & - **prm%rPerTwinFamily(f) + **prm%r(f) plastic_dislotwin_postResults(c+j) = & (param(instance)%MaxTwinFraction-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) @@ -2253,32 +1987,32 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) enddo ; enddo endif - c = c + nt + c = c + prm%totalNtwin case (accumulated_shear_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nt) = state(instance)%accshear_twin(1_pInt:nt,of) - c = c + nt + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%accshear_twin(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin case (mfp_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nt) = state(instance)%mfp_twin(1_pInt:nt,of) - c = c + nt + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%mfp_twin(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin case (resolved_stress_twin_ID) - if (nt > 0_pInt) then + if (prm%totalNtwin > 0_pInt) then j = 0_pInt do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Ntwin(f,instance) ! process each (active) slip system in family + do i = 1_pInt,prm%Ntwin(f) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) enddo; enddo endif - c = c + nt + c = c + prm%totalNtwin case (threshold_stress_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nt) = state(instance)%threshold_stress_twin(1_pInt:nt,of) - c = c + nt + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%threshold_stress_twin(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin case (stress_exponent_ID) j = 0_pInt do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,Nslip(f,instance) ! process each (active) slip system in family + do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt !* Resolved shear stress on slip system @@ -2288,29 +2022,29 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& - **prm%pPerSlipFamily(f) + **prm%p(f) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (param(instance)%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& - **(prm%pPerSlipFamily(f)-1.0_pReal) + **(prm%p(f)-1.0_pReal) !* Boltzmann ratio - BoltzmannRatio = prm%QedgePerSlipSystem(j)/(kB*Temperature) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & - prm%v0PerSlipSystem(j) + prm%v0(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%qPerSlipFamily(f))*sign(1.0_pReal,tau) + prm%q(f))*sign(1.0_pReal,tau) !* Derivatives of shear rates dgdot_dtauslip = & - abs(gdot_slip(j))*BoltzmannRatio*prm%pPerSlipFamily(f)& - *prm%qPerSlipFamily(f)/& + abs(gdot_slip(j))*BoltzmannRatio*prm%p(f)& + *prm%q(f)/& (param(instance)%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f))*& - StressRatio_pminus1*(1-StressRatio_p)**(prm%qPerSlipFamily(f)-1.0_pReal) + StressRatio_pminus1*(1-StressRatio_p)**(prm%q(f)-1.0_pReal) else gdot_slip(j) = 0.0_pReal @@ -2321,7 +2055,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) plastic_dislotwin_postResults(c+j) = & merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j))) enddo ; enddo - c = c + ns + c = c + prm%totalNslip case (sb_eigenvalues_ID) plastic_dislotwin_postResults(c+1_pInt:c+3_pInt) = math_eigenvaluesSym33(math_Mandel6to33(Tstar_v)) c = c + 3_pInt @@ -2330,18 +2064,18 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) plastic_dislotwin_postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,[9]) c = c + 9_pInt case (stress_trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nr) = & - state(instance)%stressTransFraction(1_pInt:nr,of) - c = c + nr + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtrans) = & + state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of) + c = c + prm%totalNtrans case (strain_trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nr) = & - state(instance)%strainTransFraction(1_pInt:nr,of) - c = c + nr + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtrans) = & + state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of) + c = c + prm%totalNtrans case (trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+nr) = & - state(instance)%stressTransFraction(1_pInt:nr,of) + & - state(instance)%strainTransFraction(1_pInt:nr,of) - c = c + nr + plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtrans) = & + state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of) + & + state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of) + c = c + prm%totalNtrans end select enddo end function plastic_dislotwin_postResults From 9d993de256bf9218c26d31a9f457ca18e2dfb902 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 3 Jul 2018 19:34:26 +0200 Subject: [PATCH 016/143] should not be executable --- src/plastic_dislotwin.f90 | 0 1 file changed, 0 insertions(+), 0 deletions(-) mode change 100755 => 100644 src/plastic_dislotwin.f90 diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 old mode 100755 new mode 100644 From 580a0bbedd9d6ff7034dc57e3b6b3d27d0da6779 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 5 Jul 2018 12:45:50 +0200 Subject: [PATCH 017/143] reading in interaction parameters, looping only over existing families --- PRIVATE | 2 +- src/plastic_dislotwin.f90 | 204 +++++++++++++++++++++----------------- 2 files changed, 113 insertions(+), 93 deletions(-) diff --git a/PRIVATE b/PRIVATE index aead92902..704e2fc50 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit aead92902b3a0cf3404be9c552bfec918d7aaffb +Subproject commit 704e2fc50dff343b085ea3d469f30bb3e2acae5a diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 0a9902a9b..82afb01c7 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -115,7 +115,7 @@ module plastic_dislotwin r, & !< r-exponent in twin nucleation rate s !< s-exponent in trans nucleation rate real(pReal), dimension(:,:), allocatable, private :: & - interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance + interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance @@ -310,6 +310,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%v0 = config_phase(p)%getFloats('v0') prm%v0 = math_expand(prm%v0,prm%Nslip) + prm%interaction_SlipSlip = spread(config_phase(p)%getFloats('interaction_slipslip'),2,1) prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') @@ -328,58 +329,71 @@ subroutine plastic_dislotwin_init(fileUnit) if (any(prm%Ntwin < 0_pInt)) call IO_error(150_pInt,ext_msg='Ntwin') prm%totalNtwin = sum(prm%Ntwin) - if (prm%totalNtwin > 0_pInt) then - prm%burgers_twin = config_phase(p)%getFloats('twinburgers') - prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) - - prm%xc_twin = config_phase(p)%getFloat('xc_twin') + if (prm%totalNtwin > 0_pInt) then + prm%burgers_twin = config_phase(p)%getFloats('twinburgers') + prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) + + prm%xc_twin = config_phase(p)%getFloat('xc_twin') - if (lattice_structure(p) /= LATTICE_fcc_ID) then - prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') - prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) - endif - - prm%twinsize = config_phase(p)%getFloats('twinsize') - prm%twinsize= math_expand(prm%twinsize,prm%Ntwin) - - prm%r = config_phase(p)%getFloats('r_twin') - - - prm%L0_twin = config_phase(p)%getFloat('l0_twin') - - + prm%interaction_TwinTwin = spread(config_phase(p)%getFloats('interaction_twintwin'),2,1) + if (lattice_structure(p) /= LATTICE_fcc_ID) then + prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') + prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) endif - - prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyInt) - !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) - if (sum(prm%Ntrans) > 0_pInt) then - prm%burgers_trans = config_phase(p)%getFloats('transburgers') - prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) - - prm%Cthresholdtrans = config_phase(p)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%transStackHeight = config_phase(p)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%Cmfptrans = config_phase(p)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%deltaG = config_phase(p)%getFloat('deltag') - prm%xc_trans = config_phase(p)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%L0_trans = config_phase(p)%getFloat('l0_trans') - if (lattice_structure(p) /= LATTICE_fcc_ID) then - prm%Ndot0_trans = config_phase(p)%getFloats('ndot0_trans') - prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans) - endif - prm%lamellarsizePerTransSystem = config_phase(p)%getFloats('lamellarsize') - prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans) - prm%s = config_phase(p)%getFloats('s_trans',defaultVal=[0.0_pReal]) + prm%twinsize = config_phase(p)%getFloats('twinsize') + prm%twinsize= math_expand(prm%twinsize,prm%Ntwin) + + prm%r = config_phase(p)%getFloats('r_twin') + + + prm%L0_twin = config_phase(p)%getFloat('l0_twin') + + + endif + + prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyInt) + prm%totalNtrans = sum(prm%Ntrans) + !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) + if (prm%totalNtrans > 0_pInt) then + prm%burgers_trans = config_phase(p)%getFloats('transburgers') + prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) + + prm%Cthresholdtrans = config_phase(p)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%transStackHeight = config_phase(p)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%Cmfptrans = config_phase(p)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%deltaG = config_phase(p)%getFloat('deltag') + prm%xc_trans = config_phase(p)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%L0_trans = config_phase(p)%getFloat('l0_trans') + + prm%interaction_TransTrans = spread(config_phase(p)%getFloats('interaction_transtrans'),2,1) + if (lattice_structure(p) /= LATTICE_fcc_ID) then + prm%Ndot0_trans = config_phase(p)%getFloats('ndot0_trans') + prm%Ndot0_trans = math_expand(prm%Ndot0_trans,prm%Ntrans) endif - - if (sum(prm%Ntwin) > 0_pInt .or. sum(prm%Ntrans) > 0_pInt) then - prm%SFE_0K = config_phase(p)%getFloat('sfe_0k') - prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt') - prm%VcrossSlip = config_phase(p)%getFloat('vcrossslip') - endif - - + prm%lamellarsizePerTransSystem = config_phase(p)%getFloats('lamellarsize') + prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans) + prm%s = config_phase(p)%getFloats('s_trans',defaultVal=[0.0_pReal]) + endif + + if (sum(prm%Ntwin) > 0_pInt .or. sum(prm%Ntrans) > 0_pInt) then + prm%SFE_0K = config_phase(p)%getFloat('sfe_0k') + prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt') + prm%VcrossSlip = config_phase(p)%getFloat('vcrossslip') + endif + + if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then + prm%interaction_SlipTwin = spread(config_phase(p)%getFloats('interaction_sliptwin'),2,1) + prm%interaction_TwinSlip = spread(config_phase(p)%getFloats('interaction_twinslip'),2,1) + endif + + if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then + prm%interaction_TransSlip = spread(config_phase(p)%getFloats('interaction_transslip'),2,1) + prm%interaction_SlipTrans = spread(config_phase(p)%getFloats('interaction_sliptrans'),2,1) + endif + + prm%aTolRho = config_phase(p)%getFloat('atol_rho') prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac') prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac') @@ -637,20 +651,15 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%accumulatedSlip => & plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) - + allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) + allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) + allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) + + mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) + index_myFamily = sum(prm%Nslip(1:f-1_pInt)) - !* Process slip related parameters ------------------------------------------------ - slipFamiliesLoop: do f = 1_pInt,lattice_maxNslipFamily - index_myFamily = sum(prm%Nslip(1:f-1_pInt)) ! index in truncated slip system list slipSystemsLoop: do j = 1_pInt,prm%Nslip(f) - - !* Burgers vector, - ! dislocation velocity prefactor, - ! mean free path prefactor, - ! and minimum dipole distance - !* Calculation of forest projections for edge dislocations - !* Interaction matrices - do o = 1_pInt,lattice_maxNslipFamily + do o = 1_pInt, size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & @@ -663,7 +672,7 @@ subroutine plastic_dislotwin_init(fileUnit) p),1 ) enddo; enddo - do o = 1_pInt,lattice_maxNtwinFamily + do o = 1_pInt,size(prm%Ntwin,1) index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) temp2(index_myFamily+j,index_otherFamily+k) = & @@ -673,7 +682,7 @@ subroutine plastic_dislotwin_init(fileUnit) p),1 ) enddo; enddo - do o = 1_pInt,lattice_maxNtransFamily + do o = 1_pInt,size(prm%Ntrans,1) index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) temp3(index_myFamily+j,index_otherFamily+k) = & @@ -684,11 +693,18 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo enddo slipSystemsLoop - enddo slipFamiliesLoop - + enddo mySlipFamilies + prm%interaction_SlipSlip = temp1; deallocate(temp1) + prm%interaction_SlipTwin = temp2; deallocate(temp2) + prm%interaction_SlipTrans = temp3; deallocate(temp3) + + + allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) + allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) + Ctwin3333 = 0.0_pReal - !* Process twin related parameters ------------------------------------------------ - twinFamiliesLoop: do f = 1_pInt,lattice_maxNtwinFamily + + twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f) @@ -711,7 +727,7 @@ subroutine plastic_dislotwin_init(fileUnit) math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) !* Interaction matrices - do o = 1_pInt,lattice_maxNslipFamily + do o = 1_pInt,size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) temp1(index_myFamily+j,index_otherFamily+k) = & @@ -721,7 +737,7 @@ subroutine plastic_dislotwin_init(fileUnit) p),1 ) enddo; enddo - do o = 1_pInt,lattice_maxNtwinFamily + do o = 1_pInt,size(prm%Ntwin,1) index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) temp2(index_myFamily+j,index_otherFamily+k) = & @@ -733,16 +749,18 @@ subroutine plastic_dislotwin_init(fileUnit) enddo twinSystemsLoop enddo twinFamiliesLoop + prm%interaction_TwinSlip = temp1; deallocate(temp1) + prm%interaction_TwinTwin = temp2; deallocate(temp2) - !* Process transformation related parameters ------------------------------------------------ - transFamiliesLoop: do f = 1_pInt,lattice_maxNtransFamily + + allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) + allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) + + + transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) - !* Burgers vector, - ! nucleation rate prefactor, - ! and martensite size - !* Rotate trans elasticity matrices Ctrans3333 = 0.0_pReal index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt @@ -760,7 +778,7 @@ subroutine plastic_dislotwin_init(fileUnit) math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) !* Interaction matrices - do o = 1_pInt,lattice_maxNslipFamily + do o = 1_pInt,size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) temp1(index_myFamily+j,index_otherFamily+k) = & @@ -770,7 +788,7 @@ subroutine plastic_dislotwin_init(fileUnit) p) ,1 ) enddo; enddo - do o = 1_pInt,lattice_maxNtransFamily + do o = 1_pInt,size(prm%Ntrans,1) index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) temp2(index_myFamily+j,index_otherFamily+k) = & @@ -781,20 +799,24 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo !* Projection matrices for shear from slip systems to fault-band (twin) systems for strain-induced martensite nucleation - select case(trans_lattice_structure(p)) - case (LATTICE_bcc_ID) - do o = 1_pInt,lattice_maxNtransFamily - index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) - do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (trans) - temp3(index_myFamily+j,index_otherFamily+k) = & - lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,p))+j, & - sum(lattice_NslipSystem(1:o-1,p))+k, p) - enddo; enddo - end select + ! select case(trans_lattice_structure(p)) + ! case (LATTICE_bcc_ID) + ! do o = 1_pInt,sum(prm%Ntrans,1) + ! index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + ! do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (trans) + ! temp3(index_myFamily+j,index_otherFamily+k) = & + ! lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,p))+j, & + ! sum(lattice_NslipSystem(1:o-1,p))+k, p) + ! enddo; enddo + ! end select enddo transSystemsLoop enddo transFamiliesLoop + + prm%interaction_TransSlip = temp1; deallocate(temp1) + prm%interaction_TransTrans = temp2; deallocate(temp2) + startIndex=1_pInt endIndex=prm%totalNslip state(instance)%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) @@ -1750,8 +1772,6 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) use lattice, only: & lattice_Sslip_v, & lattice_Stwin_v, & - lattice_maxNslipFamily, & - lattice_maxNtwinFamily, & lattice_NslipSystem, & lattice_NtwinSystem, & lattice_shearTwin, & @@ -1917,7 +1937,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if (prm%totalNtwin > 0_pInt) then j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + do f = 1_pInt,size(prm%Nslip,1) index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt @@ -1951,7 +1971,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) enddo;enddo j = 0_pInt - do f = 1_pInt,lattice_maxNtwinFamily ! loop over all twin families + do f = 1_pInt,size(prm%Ntwin,1) index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1,prm%Ntwin(f) ! process each (active) twin system in family j = j + 1_pInt @@ -1997,7 +2017,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) case (resolved_stress_twin_ID) if (prm%totalNtwin > 0_pInt) then j = 0_pInt - do f = 1_pInt,lattice_maxNtwinFamily ! loop over all slip families + do f = 1_pInt,size(prm%Ntwin,1) index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,prm%Ntwin(f) ! process each (active) slip system in family j = j + 1_pInt @@ -2010,7 +2030,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) c = c + prm%totalNtwin case (stress_exponent_ID) j = 0_pInt - do f = 1_pInt,lattice_maxNslipFamily ! loop over all slip families + do f = 1_pInt,size(prm%Nslip,1) index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt From a9845c4bf8c2da71530a9d69a217c392dc7b191d Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 6 Jul 2018 18:57:37 +0200 Subject: [PATCH 018/143] using wrong default for dipole formation --- src/plastic_dislotwin.f90 | 15 +++++++-------- 1 file changed, 7 insertions(+), 8 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 82afb01c7..6793e0225 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1,3 +1,4 @@ +!-------------------------------------------------------------------------------------------------- !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @brief material subroutine incoprorating dislocation and twinning physics !> @details to be done @@ -80,7 +81,7 @@ module plastic_dislotwin sbQedge, & !< value for shearband systems Qedge SFE_0K, & !< stacking fault energy at zero K dSFE_dT, & !< temperature dependance of stacking fault energy - dipoleFormationFactor = 1.0_pReal, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful + dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful aTolRho, & !< absolute tolerance for integration of dislocation density aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction @@ -405,7 +406,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%D0 = config_phase(p)%getFloat('d0') prm%Qsd = config_phase(p)%getFloat('qsd') prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') - prm%dipoleFormationFactor= config_phase(p)%getFloat('dipoleformationfactor', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%dipoleFormationFactor= config_phase(p)%getFloat('dipoleformationfactor', defaultVal=1.0_pReal) ! ToDo: How to handle that??? prm%sbResistance = config_phase(p)%getFloat('shearbandresistance',defaultVal=0.0_pReal) prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) @@ -950,7 +951,7 @@ subroutine plastic_dislotwin_init(fileUnit) spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) endif myPhase2 - + enddo initializeInstances end subroutine plastic_dislotwin_init @@ -1438,7 +1439,6 @@ prm => param(instance) !* Plastic velocity gradient for mechanical twinning Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,ph) - !* Calculation of the tangent of Lp forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dTstar3333(k,l,m,n) = & @@ -1568,7 +1568,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) -prm => param(instance) + prm => param(instance) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 plasticState(ph)%dotState(:,of) = 0.0_pReal @@ -1603,7 +1603,7 @@ prm => param(instance) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & - prm%q(f))*sign(1.0_pReal,tau_slip(j)) + prm%q(f))*sign(1.0_pReal,tau_slip(j)) endif !* Multiplication DotRhoMultiplication = abs(gdot_slip(j))/& @@ -1651,7 +1651,6 @@ prm => param(instance) (EdgeDipDistance-EdgeDipMinDistance) endif endif - !* Edge dislocation density rate of change dotState(instance)%rhoEdge(j,of) = & DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation @@ -1746,7 +1745,7 @@ prm => param(instance) endif enddo - enddo + enddo end subroutine plastic_dislotwin_dotState From 88b9da1973f5238e00b5805f7ff7511d8bafd1d6 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 6 Jul 2018 19:00:58 +0200 Subject: [PATCH 019/143] using up-to-date development since Abaqus exp has been removed --- .gitlab-ci.yml | 68 +- CONFIG | 2 +- PRIVATE | 2 +- VERSION | 2 +- env/DAMASK.csh | 10 +- env/DAMASK.sh | 8 +- env/DAMASK.zsh | 31 +- examples/AbaqusStandard/material.config | 8 +- .../EshelbyInclusion/material.config | 2 +- installation/mods_Abaqus/abaqus_v6.env | 4 +- installation/mods_Abaqus/abaqus_v6_serial.env | 52 - .../2014.2/Marc_tools/comp_damask | 52 - .../2014.2/Marc_tools/comp_damask_h | 52 - .../2014.2/Marc_tools/comp_damask_hmp | 52 - .../2014.2/Marc_tools/comp_damask_l | 52 - .../2014.2/Marc_tools/comp_damask_lmp | 52 - .../2014.2/Marc_tools/comp_damask_mp | 52 - .../2014.2/Marc_tools/comp_user.original | 41 - .../2014.2/Marc_tools/include_linux64 | 748 --- .../Marc_tools/include_linux64.original | 685 --- .../2014.2/Marc_tools/run_damask | 4087 ---------------- .../2014.2/Marc_tools/run_damask_h | 4087 ---------------- .../2014.2/Marc_tools/run_damask_hmp | 4087 ---------------- .../2014.2/Marc_tools/run_damask_l | 4087 ---------------- 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100644 lib/MarcInclude/concom2014 delete mode 100644 lib/MarcInclude/concom2014.2 delete mode 100644 lib/MarcInclude/concom2015 delete mode 100644 lib/MarcInclude/creeps2011 delete mode 100644 lib/MarcInclude/creeps2012 delete mode 100644 lib/MarcInclude/creeps2013 delete mode 100644 lib/MarcInclude/creeps2013.1 delete mode 100644 lib/MarcInclude/creeps2014 delete mode 100644 lib/MarcInclude/creeps2014.2 delete mode 100644 lib/MarcInclude/creeps2015 delete mode 100644 src/DAMASK_abaqus_exp.f delete mode 120000 src/DAMASK_marc2014.2.f90 delete mode 120000 src/DAMASK_marc2014.f90 delete mode 120000 src/DAMASK_marc2015.f90 diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 169deca26..78e94ced1 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -7,10 +7,7 @@ stages: - compileSpectralGNU - prepareSpectral - spectral - - compileMarc2014 - - compileMarc2014.2 - - compileMarc2015 - - compileMarc2016 + - compileMarc2017 - marc - compileAbaqus2016 - compileAbaqus2017 @@ -72,13 +69,10 @@ variables: # ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++ Abaqus2016: "FEM/Abaqus/2016" Abaqus2017: "FEM/Abaqus/2017" - MSC2014: "FEM/MSC/2014" - MSC2014_2: "FEM/MSC/2014.2" - MSC2015: "FEM/MSC/2015" - MSC2016: "FEM/MSC/2016" + MSC2017: "FEM/MSC/2017" # ------------ Defaults ---------------------------------------------- Abaqus: "$Abaqus2017" - MSC: "$MSC2016" + MSC: "$MSC2017" # ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++ Doxygen1_8_13: "Documentation/Doxygen/1.8.13" # ------------ Defaults ---------------------------------------------- @@ -331,42 +325,13 @@ TextureComponents: - master - release -################################################################################################### -Marc_compileIfort2014: - stage: compileMarc2014 - script: - - module load $IntelCompiler16_0 $MSC2014 - - Marc_compileIfort/test.py -m 2014 - except: - - master - - release ################################################################################################### -Marc_compileIfort2014.2: - stage: compileMarc2014.2 +Marc_compileIfort2017: + stage: compileMarc2017 script: - - module load $IntelCompiler16_0 $MSC2014_2 - - Marc_compileIfort/test.py -m 2014.2 - except: - - master - - release - -################################################################################################### -Marc_compileIfort2015: - stage: compileMarc2015 - script: - - module load $IntelCompiler16_0 $MSC2015 - - Marc_compileIfort/test.py -m 2015 - except: - - master - - release - -################################################################################################### -Marc_compileIfort2016: - stage: compileMarc2016 - script: - - module load $IntelCompiler16_0 $MSC2016 - - Marc_compileIfort/test.py -m 2016 + - module load $IntelCompiler17_0 $MSC2017 + - Marc_compileIfort/test.py -m 2017 except: - master - release @@ -375,7 +340,7 @@ Marc_compileIfort2016: Hex_elastic: stage: marc script: - - module load $IntelCompiler16_0 $MSC + - module load $IntelCompiler17_0 $MSC - Hex_elastic/test.py except: - master @@ -384,7 +349,7 @@ Hex_elastic: CubicFCC_elastic: stage: marc script: - - module load $IntelCompiler16_0 $MSC + - module load $IntelCompiler17_0 $MSC - CubicFCC_elastic/test.py except: - master @@ -393,7 +358,7 @@ CubicFCC_elastic: CubicBCC_elastic: stage: marc script: - - module load $IntelCompiler16_0 $MSC + - module load $IntelCompiler17_0 $MSC - CubicBCC_elastic/test.py except: - master @@ -402,7 +367,7 @@ CubicBCC_elastic: J2_plasticBehavior: stage: marc script: - - module load $IntelCompiler16_0 $MSC + - module load $IntelCompiler17_0 $MSC - J2_plasticBehavior/test.py except: - master @@ -459,20 +424,11 @@ SpectralRuntime: - release ################################################################################################### -AbaqusExp: - stage: createDocumentation - script: - - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen - - $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT abaqus_exp - except: - - master - - release - AbaqusStd: stage: createDocumentation script: - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen - - $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT abaqus_std + - $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT abaqus except: - master - release diff --git a/CONFIG b/CONFIG index db75fa811..459216375 100644 --- a/CONFIG +++ b/CONFIG @@ -6,6 +6,6 @@ set DAMASK_BIN = ${DAMASK_ROOT}/bin set DAMASK_NUM_THREADS = 4 set MSC_ROOT = /opt/msc -set MARC_VERSION = 2016 +set MARC_VERSION = 2017 set ABAQUS_VERSION = 2017 diff --git a/PRIVATE b/PRIVATE index 704e2fc50..a1f17cc3c 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 704e2fc50dff343b085ea3d469f30bb3e2acae5a +Subproject commit a1f17cc3cad4ef0d620fb8633794cdcc9133120c diff --git a/VERSION b/VERSION index 6c338b298..43532a7e5 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-48-gaebb06e +v2.0.2-184-gcb71e940 diff --git a/env/DAMASK.csh b/env/DAMASK.csh index d5bfb4437..26e2dd8a2 100644 --- a/env/DAMASK.csh +++ b/env/DAMASK.csh @@ -3,15 +3,7 @@ set CALLED=($_) set DIRNAME=`dirname $CALLED[2]` - -# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.csh to $DAMASK_ROOT/env/DAMASK.csh) -set FILENAME=`basename $CALLED[2]` -if ($FILENAME == "DAMASK.csh") then - set DIRNAME=$DIRNAME"/../" -endif - -set DAMASK_ROOT=`python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $DIRNAME` - +set DAMASK_ROOT=`python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $DIRNAME"/../"` source $DAMASK_ROOT/CONFIG diff --git a/env/DAMASK.sh b/env/DAMASK.sh index 021603b57..509f5f1b7 100644 --- a/env/DAMASK.sh +++ b/env/DAMASK.sh @@ -2,7 +2,7 @@ # usage: source DAMASK.sh function canonicalPath { - python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $1 + python -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser(sys.argv[1]))))" $1 } function blink { @@ -17,12 +17,8 @@ else DAMASK_ROOT=${STAT##* } fi -# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.sh to $DAMASK_ROOT/env/DAMASK.sh) -if [ ${BASH_SOURCE##*/} == "DAMASK.sh" ]; then - DAMASK_ROOT="$DAMASK_ROOT/.." -fi +DAMASK_ROOT=$(canonicalPath "$DAMASK_ROOT/../") -DAMASK_ROOT=$(canonicalPath $DAMASK_ROOT) # shorthand command to change to DAMASK_ROOT directory eval "function DAMASK_root() { cd $DAMASK_ROOT; }" diff --git a/env/DAMASK.zsh b/env/DAMASK.zsh index 2d2bc9aa0..3ceeb116a 100644 --- a/env/DAMASK.zsh +++ b/env/DAMASK.zsh @@ -2,15 +2,14 @@ # usage: source DAMASK.zsh function canonicalPath { - python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $1 + python -c "import os,sys; print(os.path.normpath(os.path.realpath(os.path.expanduser(sys.argv[1]))))" $1 } -# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.zsh to $DAMASK_ROOT/env/DAMASK.zsh) -if [ ${0:t:r} = 'DAMASK' ]; then - DAMASK_ROOT=${0:a:h}'/..' -else - DAMASK_ROOT=${0:a:h} -fi +function blink { + echo -e "\033[2;5m$1\033[0m" +} + +DAMASK_ROOT=$(canonicalPath "${0:a:h}'/..") # shorthand command to change to DAMASK_ROOT directory eval "function DAMASK_root() { cd $DAMASK_ROOT; }" @@ -25,13 +24,13 @@ unset -f set # add DAMASK_BIN if present [ "x$DAMASK_BIN != x" ] && PATH=$DAMASK_BIN:$PATH -SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null) -[ "x$SOLVER == x" ] && SOLVER='Not found!' +SOLVER=$(which DAMASK_spectral || true 2>/dev/null) +[ "x$SOLVER" = "x" ] && SOLVER=$(blink 'Not found!') -PROCESSING=$(type -p postResults || true 2>/dev/null) -[ "x$PROCESSING == x" ] && PROCESSING='Not found!' +PROCESSING=$(which postResults || true 2>/dev/null) +[ "x$PROCESSING" = "x" ] && PROCESSING=$(blink 'Not found!') -[ "x$DAMASK_NUM_THREADS == x" ] && DAMASK_NUM_THREADS=1 +[ "x$DAMASK_NUM_THREADS" = "x" ] && DAMASK_NUM_THREADS=1 # currently, there is no information that unlimited causes problems # still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it @@ -52,16 +51,18 @@ if [ ! -z "$PS1" ]; then echo "DAMASK $DAMASK_ROOT" echo "Spectral Solver $SOLVER" echo "Post Processing $PROCESSING" - echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" if [ "x$PETSC_DIR" != "x" ]; then - echo "PETSc location $PETSC_DIR" + echo -n "PETSc location " + [ -d $PETSC_DIR ] && echo $PETSC_DIR || blink $PETSC_DIR [[ $(canonicalPath "$PETSC_DIR") == $PETSC_DIR ]] \ || echo " ~~> "$(canonicalPath "$PETSC_DIR") fi [[ "x$PETSC_ARCH" == "x" ]] \ || echo "PETSc architecture $PETSC_ARCH" - echo "MSC.Marc/Mentat $MSC_ROOT" + echo -n "MSC.Marc/Mentat " + [ -d $MSC_ROOT ] && echo $MSC_ROOT || blink $MSC_ROOT echo + echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" echo -n "heap size " [[ "$(ulimit -d)" == "unlimited" ]] \ && echo "unlimited" \ diff --git a/examples/AbaqusStandard/material.config b/examples/AbaqusStandard/material.config index 3c2cda56a..52968f72a 100644 --- a/examples/AbaqusStandard/material.config +++ b/examples/AbaqusStandard/material.config @@ -3,11 +3,11 @@ #-------------------# [dummy] -type none +mech none [poly] -type isostrain -Ngrains 10 +mech isostrain +Nconstituents 10 @@ -63,7 +63,7 @@ gdot0_slip 0.001 n_slip 20 tau0_slip 31e6 # per family tausat_slip 63e6 # per family -w0_slip 2.25 +a_slip 2.25 gdot0_twin 0.001 n_twin 20 tau0_twin 31e6 # per family diff --git a/examples/SpectralMethod/EshelbyInclusion/material.config b/examples/SpectralMethod/EshelbyInclusion/material.config index 83298680b..83045938d 100644 --- a/examples/SpectralMethod/EshelbyInclusion/material.config +++ b/examples/SpectralMethod/EshelbyInclusion/material.config @@ -3,7 +3,7 @@ #-------------------# [direct] -type none # isostrain 1 grain +mech none # isostrain 1 grain thermal adiabatic # thermal strain (stress) induced mass transport initialT 300.0 diff --git a/installation/mods_Abaqus/abaqus_v6.env b/installation/mods_Abaqus/abaqus_v6.env index b4710e198..d09257a9d 100644 --- a/installation/mods_Abaqus/abaqus_v6.env +++ b/installation/mods_Abaqus/abaqus_v6.env @@ -19,7 +19,7 @@ fortCmd = "ifort" # -free to use free-format FORTRAN 90 syntax # -O <0-3> optimization level # -fpp use FORTRAN preprocessor on source code -# -openmp build with openMP support +# -fopenmp build with openMP support # -w90 -w95 suppress messages about use of non-standard Fortran (previous version of abaqus_v6.env only) # -WB turn a compile-time bounds check into a warning (previous version of abaqus_v6.env only) # -mP2OPT_hpo_vec_divbyzero=F inofficial compiler switch, proposed by abaqus but highly dubios (previous version of abaqus_v6.env only) @@ -32,7 +32,7 @@ fortCmd = "ifort" # -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " + - "-I%I -free -O1 -fpp -openmp " + + "-I%I -free -O3 -fpp -fopenmp " + "-ftz -diag-disable 5268 " + "-implicitnone -standard-semantics " + "-assume nostd_mod_proc_name " + diff --git a/installation/mods_Abaqus/abaqus_v6_serial.env b/installation/mods_Abaqus/abaqus_v6_serial.env deleted file mode 100644 index c608b6993..000000000 --- a/installation/mods_Abaqus/abaqus_v6_serial.env +++ /dev/null @@ -1,52 +0,0 @@ -# -# DAMASK Abaqus Environment File -# -# ------------------------------------ -# originally taken from Abaqus ver. 6.11.1 -# -# -# Linux (Opteron/EM64T) Settings: -# -# Compile and Link command for user subroutines. -# Compile_cpp and link_exe for Abaqus make utility. -# -import os, re, glob, driverUtils -from damask import version as DAMASKVERSION - -# Use the version in $PATH -fortCmd = "ifort" - -# -free to use free-format FORTRAN 90 syntax -# -O <0-3> optimization level -# -fpp use FORTRAN preprocessor on source code -# -w90 -w95 suppress messages about use of non-standard Fortran (previous version of abaqus_v6.env only) -# -WB turn a compile-time bounds check into a warning (previous version of abaqus_v6.env only) -# -mP2OPT_hpo_vec_divbyzero=F inofficial compiler switch, proposed by abaqus but highly dubios (previous version of abaqus_v6.env only) -# -ftz flush underflow to zero -# -diag-disable 5268 disable warnings about line length > 132 (only comments there anyway) -# -implicitnone assume no implicit types (e.g. i for integer) -# -standard-semantics sets standard (Fortran 2008) and some other conventions -# -assume nostd_mod_proc_name avoid problems with libraries compiled without that option -# -real-size 64 -DFLOAT=8 assume size of real to be 8 bytes, matches our definition of pReal -# -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt - -compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " + - "-I%I -free -O1 -fpp " + - "-ftz -diag-disable 5268 " + - "-implicitnone -standard-semantics " + - "-assume nostd_mod_proc_name " + - "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " + - '-DDAMASKVERSION=\\\"%s\\\"'%DAMASKVERSION) - -# Abaqus/CAE will generate an input file without parts and assemblies. -cae_no_parts_input_file=ON -# Both the Abaqus/Explicit packager and analysis are run in double precision. -double_precision=BOTH -# The user will not be asked whether old job files of the same name should be deleted. -ask_delete=OFF - -# usub_lib_dir='your_prefered_location/abqlib' - -# Remove the temporary names from the namespace -del fortCmd -del DAMASKVERSION diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask b/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask deleted file mode 100644 index 2d144b8a4..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_h b/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_h deleted file mode 100644 index 01464f095..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_h +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_hmp b/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_hmp deleted file mode 100644 index 36ced6543..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_hmp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_l b/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_l deleted file mode 100644 index 31b5cd175..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_l +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_lmp b/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_lmp deleted file mode 100644 index 8a0c1255d..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_lmp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRANLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_mp b/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_mp deleted file mode 100644 index 986d9ae04..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_damask_mp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_user.original b/installation/mods_MarcMentat/2014.2/Marc_tools/comp_user.original deleted file mode 100644 index 8679bb041..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/comp_user.original +++ /dev/null @@ -1,41 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user.f on host `hostname`" -echo "program: $program" - $FORTRAN $user.f || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$user.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS || \ - { - echo "$0: link failed for $user.o on host `hostname`" - exit 1 - } - /bin/rm $userobj diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/include_linux64 b/installation/mods_MarcMentat/2014.2/Marc_tools/include_linux64 deleted file mode 100644 index 5ea0df864..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/include_linux64 +++ /dev/null @@ -1,748 +0,0 @@ -# -# General definitions for the Marc 2014 version -# -# EM64T -# ( LP64 - i4 version) -# (ILP64 - i8 version) -# -# Linux RedHat 5.7 -# -# 64 bit MPI version -# -# Intel(R) Fortran Compiler -# Version 13.0.1 -# -# Intel(R) C Compiler -# Version 13.0.1 -# -# MKL Libraries: -# Intel(R) MKL 10.3 -# -# DATE -# -# To check the O/S level, type: -# uname -a -# -# Distributed parallel MPI libraries: -# 1) HP MPI 2.3 -# To check the mpi version, type: -# mpirun -version -# 2) Intel MPI 4.0 -# To check the mpi version, type: -# mpirun -version -# -# To check the Compiler level, type using the compiler -# installation path: -# ifort -V -# icc -V -# -# REMARKS : This file contains the definitions of variables used during -# compilation loading and use of the MARC programmes . The -# current machine type is identified by means of the variable -# MACHINE , defined below. -# -# -# MPI_ROOT: root directory in which mpi shared libraries, etc. are located -# DIRJOB : directory in which spawned jobs should look for Marc input -# MPI_ARCH: system architecture -# MPI_EPATH: path where executable resides -# -REVISION="VERSION, BUILD" -HOSTNAME=`hostname` - -# find available memory in Mbyte on the machine -# can be set explicitly -MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'` - -# set _OEM_NASTRAN to 1 for MD Nastran build -# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable -_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}" - -# uncomment the following line for an autoforge build -#AUTOFORGE=1 -AUTOFORGE=0 -export AUTOFORGE - -# integer size -if test "$MARC_INTEGER_SIZE" = "" ; then - INTEGER_PATH= -else - INTEGER_PATH=/$MARC_INTEGER_SIZE -fi - -FCOMP=ifort - -# -# settings for Metis -# -METIS="-I$METIS_SOURCE/include" -METISLIBS="$MARC_LIB/metis.a " - -# -# settings for MPI -# -# RCP and RSH are used for parallel network runs -# replace with similar commands like rsh if needed -RCP=/usr/bin/scp -RSH=/usr/bin/ssh -# - - -MPI_DEFAULT=intelmpi -MPI_OTHER=hpmpi - -MPITYPE=$MPI_DEFAULT - -if test $AUTOFORGE -then - if test $AUTOFORGE = 1 - then - MPITYPE=none - fi -fi - - -# overrule MPITYPE setting with environmental variable MARC_MPITYPE -if test $MARC_MPITYPE -then - MPITYPE=$MARC_MPITYPE -fi - -# always set MPITYPE to none for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - MPITYPE=none -fi - -# Edit following lines to build with GPGPU version of BCS Solver for -# NVIDIA platforms -#BCSGPUSOLVER=NONE -BCSGPUSOLVER=BCSGPU - -SOLVERFLAGS= -if test "$BCSGPUSOLVER" = BCSGPU -then - SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA" - BCS_DIR=bcsgpusolver - export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH - export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH -else - BCS_DIR=bcssolver -fi -# -# settings for MPI -# -DDM= -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - FCOMPMPI=mpif90 - export MPI_ROOT=$MARC_HPMPI - export MPI_REMSH=$RSH - export MPI_F77=$FCOMP - ARCHITECTURE=linux_amd64 - DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI" - MPI_CLEAN= - export MPI_EPATH=$MARC_BIN - export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH - export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1" -# Below line is moved in run_marc file -# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN" - if test -n "$MSC_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE" - fi - if test -n "$LM_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE" - fi - export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x" - RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f " - RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np " - RUN_JOB0= - fi - if test $MPITYPE = intelmpi - then - INTELMPI_VERSION=HYDRA - FCOMPMPI=mpiifort - MPI_ROOT=$MARC_INTELMPI - DDM="-I${MPI_ROOT}/include64 -DDDM" - PATH=$MPI_ROOT/bin64:$PATH - export PATH - LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - if test $INTELMPI_VERSION = HYDRA - then - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall" - else - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile " - fi - RUN_JOB0= - MPI_CLEAN= - MPI_EPATH=$MARC_BIN - MPIR_HOME=$MPI_ROOT - MPICH_F77=$FCOMP - MPICH_F77LINKER=$FCOMP - export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER - I_MPI_PIN_DOMAIN=node - export I_MPI_PIN_DOMAIN - fi -else - MPI_ROOT=$MARC_DUMMYMPI - export MPI_ROOT=$MARC_DUMMYMPI - DDM="-I$MPI_ROOT/include" -fi - -# -# variables for the "maintain" script -# - -MACHINENAME=LINUX -MACHINE64BIT=yes -MACHINE=Linux_EM64T -DEV=/dev/tape -GETLOG="whoami" -CLEAR="clear" -MY_UNAME=`uname -a` - -# Edit following 2 lines to build with VKI Solver -#VKISOLVER=VKI -VKISOLVER=NONE - -# Edit following 2 lines to build with CASI Solver -CASISOLVER=CASI -#CASISOLVER=NONE - -# Edit following 2 lines to build with MF2 Solver -MF2SOLVER=NONE -#MF2SOLVER=SERIAL -#MF2SOLVER=MF2PARALLEL - -# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO) -#INTELSOLVER=NONE -INTELSOLVER=PARDISO - -# Edit following lines to build with MUMPS -if test "$MARC_INTEGER_SIZE" = "i4" ; then - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -else - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -fi - -# Edit following 2 lines to build MARC dynamic shared library -MARC_DLL=MARC_DLL -MARC_DLL=NONE - -# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - VKISOLVER=NONE - CASISOLVER=NONE - MF2SOLVER=NONE - INTELSOLVER=NONE - MUMPSSOLVER=NONE - BCSGPUSOLVER=NONE - MARC_DLL=NONE -fi - -# -# define Fortran and C compile syntax -# -if test "$VKISOLVER" = VKI -then - SOLVERFLAGS="$SOLVERFLAGS -DVKI" -fi - -if test "$CASISOLVER" = CASI -then - SOLVERFLAGS="$SOLVERFLAGS -DCASI" -fi - -if test "$MF2SOLVER" = MF2PARALLEL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL" -fi -if test "$MF2SOLVER" = MF2SERIAL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL" -fi - -if test "$INTELSOLVER" = PARDISO -then - SOLVERFLAGS="$SOLVERFLAGS -DPARDISO" -fi - -if test "$MUMPSSOLVER" = MUMPS -then - SOLVERFLAGS="$SOLVERFLAGS -DMUMPS" -fi - - -if test "$MARC_DLL" = MARC_DLL -then - SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL" -fi - -LINK_OPT= -DEBUG_OPT= -C_DEBUG_OPT= - -#Uncomment following line to build Marc in debuggable mode -MARCDEBUG= -#MARCDEBUG="ON" - -if test "$MARCDEBUG" = "ON" -then - LINK_OPT="-debug -traceback" - DEBUG_OPT="-debug -traceback" - C_DEBUG_OPT="-debug -traceback" -fi - - -MARCCHECK= -#MARCCHECK="ON" -if test "$MARCCHECK" = "ON" -then - DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv " - C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv " -fi - -MARCCODECOV= -#MARCCODECOV="ON" - -MARCCODEPROF= -#MARCCODEPROF="ON" - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - I8FFLAGS="-real-size 64 -integer-size 32" - I8DEFINES="-DFLOAT=8 -DINT=4" - I8CDEFINES= - I8CASIDEFS= -else - I8FFLAGS="-i8 -real-size 64 -integer-size 64" - I8DEFINES="-DI64 -DFLOAT=8 -DINT=8" - I8CDEFINES="-U_DOUBLE -D_SINGLE" - I8CASIDEFS="-DCASI_64BIT_INT=1" -fi - -MTHREAD=OPENMP -if test "$MARC_OPENMP" = "NONE" ; then - MTHREAD=NONE -fi -#MTHREAD=NONE -if test "$_OEM_NASTRAN" -ne 0 -then -MTHREAD=NONE -fi - -OMP_COMPAT=NO -OMP_COMPAT=YES -if test "$MTHREAD" = "NONE" -then -OMP_COMPAT=NO -fi - -CDEFINES= -FDEFINES= - -if test "$_OEM_NASTRAN" -ne 0 -then - CDEFINES="$CDEFINES -D_OEM_NASTRAN" - FDEFINES="$FDEFINES -D_OEM_NASTRAN" -fi - -FDEFINES="$FDEFINES -D_IMPLICITNONE" - -if test "$_OEM_NASTRAN" -eq 0 -then - FDEFINES="$FDEFINES -DMKL -DOPENMP" -fi - -if test "$OMP_COMPAT" = "YES" -then - FDEFINES="$FDEFINES -DOMP_COMPAT" -fi - -# -D_MSCMARC -FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT" -CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES" - -CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS" -if test "$_OEM_NASTRAN" -ne 0 -then - CINCL="$CINCL -I../../include" -fi - -CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - -if test "$MARCDEBUG" = "ON" -then - CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -fi - -LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel" -CCT="$CC" -CCTLOW="$CCLOW" -CCTHIGH="$CCHIGH" - -CC_CASI="$CC -std=c99 $I8CASIDEFS" -CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS" -CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS" - -CCT_CASI="$CCT -std=c99 $I8CASIDEFS" -CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS" -CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS" - -#PROFILE="-Mprof=func" -#PROFILE="-Mprof=lines" -#PROFILE="-Mprof=func,mpi" -PROFILE= -if test "$MARCCODECOV" = "ON" -then -PROFILE="-prof-gen=srcpos" -fi -if test "$MARCCODEPROF" = "ON" -then -PROFILE=" $PROFILE -pg" -fi - -FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr -mp1 -WB" -if test "$MTHREAD" = "OPENMP" -then - FORT_OPT=" $FORT_OPT -openmp" - if test "$OMP_COMPAT" = "YES" - then - FORT_OPT=" $FORT_OPT -openmp-threadprivate=compat" - fi -else -# FORT_OPT=" $FORT_OPT -auto " - FORT_OPT=" $FORT_OPT -save -zero" -fi - -FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - -# determine DAMASK version -HIT=0 -for arg in "$@" -do - if [ $HIT = 1 ] - then - DAMASKPATH=`dirname $arg` - break - elif [ ${arg:0:2} = -u -o ${arg:0:2} = -U ] - then - HIT=1 - fi -done -read DAMASKVERSION < $DAMASKPATH/../VERSION -DAMASKVERSION="'"$DAMASKVERSION"'" - -# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3 -DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - -if test "$MARCDEBUG" = "ON" -then - FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - - # DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3 - DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2.2 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_std_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014.2 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - -fi - -FORTLOWT="$FORTLOW" -FORTRANT="$FORTRAN" -FORTHIGHT="$FORTHIGH" - -FORTRANMNF="$FCOMP -c $FDEFINES " -CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE" - -FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main" -CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include" - - -BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL" -NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES " -NVCCLIB="ar rvl" -NVCCLD=icc -BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORT90HIGH="$BCSFORTHIGH" -if test "$MARCDEBUG" = "ON" -then - BCSFORTRAN=$BCSFORTLOW - BCSFORTHIGH=$BCSFORTLOW - BCSFORT90HIGH=$BCSFORTLOW -fi - -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - fi -# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines -# if test $MPITYPE = intelmpi -# then -# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include" -# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# fi - if test $MPITYPE = intelmpi - then - LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - fi -else - LOAD="$FCOMP $LINK_OPT -o " - LOADT="$FCOMP $LINK_OPT -o " -fi - -if test "$MARC_DLL" = MARC_DLL -then - FORTLOW="$FORTLOW -fpp -fPIC" - FORTRAN="$FORTRAN -fpp -fPIC" - FORTHIGH="$FORTHIGH -fpp -fPIC" - FORTRANMNF="$FORTRANMNF -fpp -fPIC" - CC="$CC -fPIC" - CCMNF="$CCMNF -fPIC" - CC_CASI="$CC_CASI -fPIC" - CCLOW_CASI="$CCLOW_CASI -fPIC" - CCHIGH_CASI="$CCHIGH_CASI -fPIC" - LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread" - LINK_MARC_DLL="-shared -fPIC" - LOAD_DLL=$LOAD - LOADT_DLL=$LOADT - EXT_DLL="so" -fi - - -XLIBS="-L/usr/X11/lib -lX11 " - -# -# define archive and ranlib syntax -# - -ARC="ar rvl" -ARD="ar dvl" -ARX="ar xl" -RAN="" - -# -# choose which libraries you want to use ( e.g. blas ) -# - -if test "$VKISOLVER" = VKI -then - VKISOLVERLIBS="$MARC_LIB/vkisolver.a" -else - VKISOLVERLIBS= -fi - -if test "$CASISOLVER" = CASI -then - CASISOLVERLIBS="$MARC_CASI/casilib.a" -else - CASISOLVERLIBS= -fi - -MF2SOLVERLIBS= -if test "$MF2SOLVER" = MF2PARALLEL -then - MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \ - $MARC_LIB/mf2parallel/libsym.a \ - $MARC_LIB/mf2parallel/libmet.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libnum.a \ - $MARC_LIB/mf2parallel/libutl.a \ - $MARC_LIB/mf2parallel/libr8.a \ - $MARC_LIB/mf2parallel/libz.a " -fi - -if test "$INTELSOLVER" = PARDISO -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a" - else - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a" - fi -else - INTELSOLVERLIBS= -fi - -if test "$MUMPSSOLVER" = MUMPS -then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - if test $MPITYPE = none - then - MUMPSSOLVERLIBS2= - echo hello > /dev/null - fi - if test $MPITYPE = intelmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a " - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a " - fi - fi - if test $MPITYPE = hpmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a" - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a" - fi - fi -else - MUMPSSOLVERLIBS= - MUMPSSOLVERLIBS2= -fi - -if test "$BCSGPUSOLVER" = BCSGPU -then - BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a " - MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda " - MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda " - MARCCUDALIBS=$MARCCUDALIBS1 - CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda " -else - BCSSOLVERLIBS="${MARC_LIB}/bcslib.a " -fi - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group" -else - MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a -Wl,--end-group" -fi - -SECLIBS="-L$MARC_LIB -llapi" - -SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${INTELSOLVERLIBS} ${MF2SOLVERLIBS} ${MUMPSSOLVERLIBS2} \ - $MKLLIB -L$MARC_MKL -liomp5 \ - $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a " - -SOLVERLIBS_DLL=${SOLVERLIBS} - -MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}" -MRCLIBSPAR="$MARC_LIB/clib.a" -STUBS="$MARC_LIB/stubs.a " -MNFLIBS="$MARC_LIB/libmnf.a" -MDUSER="$MARC_LIB/md_user.a" - -OPENMP="-openmp" - -SYSLIBS=" $OPENMP -lpthread " - -# Uncomment the following lines to turn on the trace and comment out the next 4 lines -# if test $MPITYPE = intelmpi -# then -# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \ -# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt" -# fi -if test $MPITYPE = intelmpi -then - SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -threads -lpthread" -fi - -SYSLIBSPAR=" " - -MARC_DLL_CODES="runmarc.f" - - -BLAS_SRC="dzero.f icopy.f izero.f" -if test "$_OEM_NASTRAN" -ne 0 -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f" - else - BLAS_SRC="ALL" - fi -fi - -LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \ - omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \ - elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \ - cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \ - inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f" -if test "$MARC_INTEGER_SIZE" = "i8" ; then - LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f" -fi -LOW_OPT_CODES_CASI="" - -HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \ - dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \ - dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f " - - -HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c" - -MAXNUM=1000000 diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/include_linux64.original b/installation/mods_MarcMentat/2014.2/Marc_tools/include_linux64.original deleted file mode 100644 index 79bc53fe9..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/include_linux64.original +++ /dev/null @@ -1,685 +0,0 @@ -# -# General definitions for the Marc 2014 version -# -# EM64T -# ( LP64 - i4 version) -# (ILP64 - i8 version) -# -# Linux RedHat 5.7 -# -# 64 bit MPI version -# -# Intel(R) Fortran Compiler -# Version 13.0.1 -# -# Intel(R) C Compiler -# Version 13.0.1 -# -# MKL Libraries: -# Intel(R) MKL 10.3 -# -# DATE -# -# To check the O/S level, type: -# uname -a -# -# Distributed parallel MPI libraries: -# 1) HP MPI 2.3 -# To check the mpi version, type: -# mpirun -version -# 2) Intel MPI 4.0 -# To check the mpi version, type: -# mpirun -version -# -# To check the Compiler level, type using the compiler -# installation path: -# ifort -V -# icc -V -# -# REMARKS : This file contains the definitions of variables used during -# compilation loading and use of the MARC programmes . The -# current machine type is identified by means of the variable -# MACHINE , defined below. -# -# -# MPI_ROOT: root directory in which mpi shared libraries, etc. are located -# DIRJOB : directory in which spawned jobs should look for Marc input -# MPI_ARCH: system architecture -# MPI_EPATH: path where executable resides -# -REVISION="VERSION, BUILD" -HOSTNAME=`hostname` - -# find available memory in Mbyte on the machine -# can be set explicitly -MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'` - -# set _OEM_NASTRAN to 1 for MD Nastran build -# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable -_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}" - -# uncomment the following line for an autoforge build -#AUTOFORGE=1 -AUTOFORGE=0 -export AUTOFORGE - -# integer size -if test "$MARC_INTEGER_SIZE" = "" ; then - INTEGER_PATH= -else - INTEGER_PATH=/$MARC_INTEGER_SIZE -fi - -FCOMP=ifort - -# -# settings for Metis -# -METIS="-I$METIS_SOURCE/include" -METISLIBS="$MARC_LIB/metis.a " - -# -# settings for MPI -# -# RCP and RSH are used for parallel network runs -# replace with similar commands like rsh if needed -RCP=/usr/bin/scp -RSH=/usr/bin/ssh -# - - -MPI_DEFAULT=intelmpi -MPI_OTHER=hpmpi - -MPITYPE=$MPI_DEFAULT - -if test $AUTOFORGE -then - if test $AUTOFORGE = 1 - then - MPITYPE=none - fi -fi - - -# overrule MPITYPE setting with environmental variable MARC_MPITYPE -if test $MARC_MPITYPE -then - MPITYPE=$MARC_MPITYPE -fi - -# always set MPITYPE to none for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - MPITYPE=none -fi - -# Edit following lines to build with GPGPU version of BCS Solver for -# NVIDIA platforms -#BCSGPUSOLVER=NONE -BCSGPUSOLVER=BCSGPU - -SOLVERFLAGS= -if test "$BCSGPUSOLVER" = BCSGPU -then - SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA" - BCS_DIR=bcsgpusolver - export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH - export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH -else - BCS_DIR=bcssolver -fi -# -# settings for MPI -# -DDM= -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - FCOMPMPI=mpif90 - export MPI_ROOT=$MARC_HPMPI - export MPI_REMSH=$RSH - export MPI_F77=$FCOMP - ARCHITECTURE=linux_amd64 - DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI" - MPI_CLEAN= - export MPI_EPATH=$MARC_BIN - export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH - export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1" -# Below line is moved in run_marc file -# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN" - if test -n "$MSC_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE" - fi - if test -n "$LM_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE" - fi - export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x" - RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f " - RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np " - RUN_JOB0= - fi - if test $MPITYPE = intelmpi - then - INTELMPI_VERSION=HYDRA - FCOMPMPI=mpiifort - MPI_ROOT=$MARC_INTELMPI - DDM="-I${MPI_ROOT}/include64 -DDDM" - PATH=$MPI_ROOT/bin64:$PATH - export PATH - LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - if test $INTELMPI_VERSION = HYDRA - then - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall" - else - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile " - fi - RUN_JOB0= - MPI_CLEAN= - MPI_EPATH=$MARC_BIN - MPIR_HOME=$MPI_ROOT - MPICH_F77=$FCOMP - MPICH_F77LINKER=$FCOMP - export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER - I_MPI_PIN_DOMAIN=node - export I_MPI_PIN_DOMAIN - fi -else - MPI_ROOT=$MARC_DUMMYMPI - export MPI_ROOT=$MARC_DUMMYMPI - DDM="-I$MPI_ROOT/include" -fi - -# -# variables for the "maintain" script -# - -MACHINENAME=LINUX -MACHINE64BIT=yes -MACHINE=Linux_EM64T -DEV=/dev/tape -GETLOG="whoami" -CLEAR="clear" -MY_UNAME=`uname -a` - -# Edit following 2 lines to build with VKI Solver -#VKISOLVER=VKI -VKISOLVER=NONE - -# Edit following 2 lines to build with CASI Solver -CASISOLVER=CASI -#CASISOLVER=NONE - -# Edit following 2 lines to build with MF2 Solver -MF2SOLVER=NONE -#MF2SOLVER=SERIAL -#MF2SOLVER=MF2PARALLEL - -# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO) -#INTELSOLVER=NONE -INTELSOLVER=PARDISO - -# Edit following lines to build with MUMPS -if test "$MARC_INTEGER_SIZE" = "i4" ; then - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -else - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -fi - -# Edit following 2 lines to build MARC dynamic shared library -MARC_DLL=MARC_DLL -MARC_DLL=NONE - -# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - VKISOLVER=NONE - CASISOLVER=NONE - MF2SOLVER=NONE - INTELSOLVER=NONE - MUMPSSOLVER=NONE - BCSGPUSOLVER=NONE - MARC_DLL=NONE -fi - -# -# define Fortran and C compile syntax -# -if test "$VKISOLVER" = VKI -then - SOLVERFLAGS="$SOLVERFLAGS -DVKI" -fi - -if test "$CASISOLVER" = CASI -then - SOLVERFLAGS="$SOLVERFLAGS -DCASI" -fi - -if test "$MF2SOLVER" = MF2PARALLEL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL" -fi -if test "$MF2SOLVER" = MF2SERIAL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL" -fi - -if test "$INTELSOLVER" = PARDISO -then - SOLVERFLAGS="$SOLVERFLAGS -DPARDISO" -fi - -if test "$MUMPSSOLVER" = MUMPS -then - SOLVERFLAGS="$SOLVERFLAGS -DMUMPS" -fi - - -if test "$MARC_DLL" = MARC_DLL -then - SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL" -fi - -LINK_OPT= -DEBUG_OPT= -C_DEBUG_OPT= - -#Uncomment following line to build Marc in debuggable mode -MARCDEBUG= -#MARCDEBUG="ON" - -if test "$MARCDEBUG" = "ON" -then - LINK_OPT="-debug -traceback" - DEBUG_OPT="-debug -traceback" - C_DEBUG_OPT="-debug -traceback" -fi - - -MARCCHECK= -#MARCCHECK="ON" -if test "$MARCCHECK" = "ON" -then - DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv " - C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv " -fi - -MARCCODECOV= -#MARCCODECOV="ON" - -MARCCODEPROF= -#MARCCODEPROF="ON" - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - I8FFLAGS= - I8DEFINES= - I8CDEFINES= - I8CASIDEFS= -else - I8FFLAGS="-i8" - I8DEFINES="-DI64" - I8CDEFINES="-U_DOUBLE -D_SINGLE" - I8CASIDEFS="-DCASI_64BIT_INT=1" -fi - -MTHREAD=OPENMP -if test "$MARC_OPENMP" = "NONE" ; then - MTHREAD=NONE -fi -#MTHREAD=NONE -if test "$_OEM_NASTRAN" -ne 0 -then -MTHREAD=NONE -fi - -OMP_COMPAT=NO -OMP_COMPAT=YES -if test "$MTHREAD" = "NONE" -then -OMP_COMPAT=NO -fi - -CDEFINES= -FDEFINES= - -if test "$_OEM_NASTRAN" -ne 0 -then - CDEFINES="$CDEFINES -D_OEM_NASTRAN" - FDEFINES="$FDEFINES -D_OEM_NASTRAN" -fi - -FDEFINES="$FDEFINES -D_IMPLICITNONE" - -if test "$_OEM_NASTRAN" -eq 0 -then - FDEFINES="$FDEFINES -DMKL -DOPENMP" -fi - -if test "$OMP_COMPAT" = "YES" -then - FDEFINES="$FDEFINES -DOMP_COMPAT" -fi - -# -D_MSCMARC -FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT" -CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES" - -CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS" -if test "$_OEM_NASTRAN" -ne 0 -then - CINCL="$CINCL -I../../include" -fi - -CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - -if test "$MARCDEBUG" = "ON" -then - CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -fi - -LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel" -CCT="$CC" -CCTLOW="$CCLOW" -CCTHIGH="$CCHIGH" - -CC_CASI="$CC -std=c99 $I8CASIDEFS" -CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS" -CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS" - -CCT_CASI="$CCT -std=c99 $I8CASIDEFS" -CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS" -CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS" - -#PROFILE="-Mprof=func" -#PROFILE="-Mprof=lines" -#PROFILE="-Mprof=func,mpi" -PROFILE= -if test "$MARCCODECOV" = "ON" -then -PROFILE="-prof-gen=srcpos" -fi -if test "$MARCCODEPROF" = "ON" -then -PROFILE=" $PROFILE -pg" -fi - -FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB" -if test "$MTHREAD" = "OPENMP" -then - FORT_OPT=" $FORT_OPT -openmp" - if test "$OMP_COMPAT" = "YES" - then - FORT_OPT=" $FORT_OPT -openmp-threadprivate=compat" - fi -else -# FORT_OPT=" $FORT_OPT -auto " - FORT_OPT=" $FORT_OPT -save -zero" -fi - -FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - -if test "$MARCDEBUG" = "ON" -then - FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" -fi - -FORTLOWT="$FORTLOW" -FORTRANT="$FORTRAN" -FORTHIGHT="$FORTHIGH" - -FORTRANMNF="$FCOMP -c $FDEFINES " -CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE" - -FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main" -CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include" - - -BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL" -NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES " -NVCCLIB="ar rvl" -NVCCLD=icc -BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORT90HIGH="$BCSFORTHIGH" -if test "$MARCDEBUG" = "ON" -then - BCSFORTRAN=$BCSFORTLOW - BCSFORTHIGH=$BCSFORTLOW - BCSFORT90HIGH=$BCSFORTLOW -fi - -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - fi -# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines -# if test $MPITYPE = intelmpi -# then -# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include" -# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# fi - if test $MPITYPE = intelmpi - then - LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - fi -else - LOAD="$FCOMP $LINK_OPT -o " - LOADT="$FCOMP $LINK_OPT -o " -fi - -if test "$MARC_DLL" = MARC_DLL -then - FORTLOW="$FORTLOW -fpp -fPIC" - FORTRAN="$FORTRAN -fpp -fPIC" - FORTHIGH="$FORTHIGH -fpp -fPIC" - FORTRANMNF="$FORTRANMNF -fpp -fPIC" - CC="$CC -fPIC" - CCMNF="$CCMNF -fPIC" - CC_CASI="$CC_CASI -fPIC" - CCLOW_CASI="$CCLOW_CASI -fPIC" - CCHIGH_CASI="$CCHIGH_CASI -fPIC" - LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread" - LINK_MARC_DLL="-shared -fPIC" - LOAD_DLL=$LOAD - LOADT_DLL=$LOADT - EXT_DLL="so" -fi - - -XLIBS="-L/usr/X11/lib -lX11 " - -# -# define archive and ranlib syntax -# - -ARC="ar rvl" -ARD="ar dvl" -ARX="ar xl" -RAN="" - -# -# choose which libraries you want to use ( e.g. blas ) -# - -if test "$VKISOLVER" = VKI -then - VKISOLVERLIBS="$MARC_LIB/vkisolver.a" -else - VKISOLVERLIBS= -fi - -if test "$CASISOLVER" = CASI -then - CASISOLVERLIBS="$MARC_CASI/casilib.a" -else - CASISOLVERLIBS= -fi - -MF2SOLVERLIBS= -if test "$MF2SOLVER" = MF2PARALLEL -then - MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \ - $MARC_LIB/mf2parallel/libsym.a \ - $MARC_LIB/mf2parallel/libmet.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libnum.a \ - $MARC_LIB/mf2parallel/libutl.a \ - $MARC_LIB/mf2parallel/libr8.a \ - $MARC_LIB/mf2parallel/libz.a " -fi - -if test "$INTELSOLVER" = PARDISO -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a" - else - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a" - fi -else - INTELSOLVERLIBS= -fi - -if test "$MUMPSSOLVER" = MUMPS -then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - if test $MPITYPE = none - then - MUMPSSOLVERLIBS2= - echo hello > /dev/null - fi - if test $MPITYPE = intelmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a " - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a " - fi - fi - if test $MPITYPE = hpmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a" - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a" - fi - fi -else - MUMPSSOLVERLIBS= - MUMPSSOLVERLIBS2= -fi - -if test "$BCSGPUSOLVER" = BCSGPU -then - BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a " - MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda " - MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda " - MARCCUDALIBS=$MARCCUDALIBS1 - CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda " -else - BCSSOLVERLIBS="${MARC_LIB}/bcslib.a " -fi - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group" -else - MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group" -fi - -SECLIBS="-L$MARC_LIB -llapi" - -SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${INTELSOLVERLIBS} ${MF2SOLVERLIBS} ${MUMPSSOLVERLIBS2} \ - $MKLLIB -L$MARC_MKL -liomp5 \ - $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a " - -SOLVERLIBS_DLL=${SOLVERLIBS} - -MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}" -MRCLIBSPAR="$MARC_LIB/clib.a" -STUBS="$MARC_LIB/stubs.a " -MNFLIBS="$MARC_LIB/libmnf.a" -MDUSER="$MARC_LIB/md_user.a" - -OPENMP="-openmp" - -SYSLIBS=" $OPENMP -lpthread " - -# Uncomment the following lines to turn on the trace and comment out the next 4 lines -# if test $MPITYPE = intelmpi -# then -# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \ -# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt" -# fi -if test $MPITYPE = intelmpi -then - SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -threads -lpthread" -fi - -SYSLIBSPAR=" " - -MARC_DLL_CODES="runmarc.f" - - -BLAS_SRC="dzero.f icopy.f izero.f" -if test "$_OEM_NASTRAN" -ne 0 -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f" - else - BLAS_SRC="ALL" - fi -fi - -LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \ - omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \ - elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \ - cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \ - inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f" -if test "$MARC_INTEGER_SIZE" = "i8" ; then - LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f" -fi -LOW_OPT_CODES_CASI="" - -HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \ - dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \ - dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f " - - -HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c" - -MAXNUM=1000000 diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask b/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask deleted file mode 100644 index 2c9d55164..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask +++ /dev/null @@ -1,4087 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - shift - arg=$1 -fi -while [ -n "$arg" ] -do - shift - value=$1 - case $arg in - -al* | -AL*) - LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - $MARC_BIN/marc -alloc 1 - exit - ;; - -li* | -LI*) - justlist=yes - ;; - -fe* | -FE*) - feature=$value - ;; - -pr* | -PR*) - if test `dirname $value` = '.' - then - prog=`$BASENAME $value .marc` - progdll=`$BASENAME $value` - else - prog=`dirname $value`/`$BASENAME $value .marc` - progdll=`dirname $value`/`$BASENAME $value` - fi - prdir=`dirname $value` - case $prdir in - \/*) - ;; - *) - prog=`pwd`/$prdir/$prog - ;; - esac - ;; - -j* | -J*) - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - ;; - -r* | -R*) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - -si* | -SI*) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - -pi* | -PI*) - if test -f $value.t19 - then - pid=`$BASENAME $value .t19` - else - pid=`$BASENAME $value .t16` - fi - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - -bdf | -BDF) - makebdf=1 - ;; - -de* | -DE*) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - -vf | -VF) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - -u* | -U*) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - -obj | -OBJ) - objs="$value" - ;; - -q* | -Q*) - qid=$value - ;; - -b* | -B*) - case $value in - y* | Y*) - qid=background - ;; - n* | N*) - qid=foreground - ;; - *) - ;; - esac - ;; - -at | -AT) - att=$value - ;; - -cpu* | -CPU*) - cpu=$value - ;; - -pq | -PQ*) - priority=$value - ;; - -v* | -V*) - verify=$value - ;; - -sa* | -SA*) - prgsav=$value - ;; - -np* | -NP*) - nprocdddm=$value - nprocdddmprint=$value - case $arg in - -nps* | -NPS* | -nprocds* | -NPROCDS*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - case $arg in - -np | -NP | -nprocd | -NPROCD) - icreated=0 - nprocdarg=-nprocd - ;; - esac - ;; - -ns* | -NS*) - nsolver=$value - ;; - -nt* | -NT*) - case $arg in - -nte | -NTE | -nthread_e* | -NTHREAD_E*) - nte=$value - ;; - esac - case $arg in - -nts | -NTS | -nthread_s* | -NTHREAD_S*) - nts=$value - ;; - esac - case $arg in - -nt | -NT | -nth* | -NTH* | -nthread* | -NTHREAD*) - nt=$value - ;; - esac - ;; - -gp* | -GP*) - gpuids=$value - ;; - -it* | -IT*) - itree=$value - ;; - -iam | -IAM) - iam=$value - ;; - -au* | -AU*) - nauto=$value - ;; - -dc* | -DC*) - ndcoup=$value - ;; - -dy* | -DY*) - ndytran=$value - ;; - -ou* | -OU*) - noutcore=$value - ;; - -dll | -DLL) - dllrun=$value - ;; - -trk | -TRK) - trkrun=$value - ;; - -me | -ME ) - mesh=$value - ;; - -ml | -ML ) - memlimit=$value - ;; - -mo | -MO ) - ;; - -mpi | -MPI ) - mpioption=true - MARC_MPITYPE=$value - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - else - exefile=marc - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - fi - fi - ;; - -dir* | -DIR*) - DIRJOB=$value - case $DIRJOB in - \/*) - ;; - *) - DIRJOB=`pwd`/$DIRJOB - ;; - esac - if test -z "$DIRSCRSET" - then - DIRSCR=$DIRJOB - fi - ;; - -sd* | -SD*) - DIRSCR=$value - DIRSCRSET=yes - case $DIRSCR in - \/*) - ;; - *) - DIRSCR=`pwd`/$DIRSCR - ;; - esac - ;; - -ho* | -HO*) - host=$value - ;; - -co* | -CO*) - compatible=$value - ;; - -ci* | -CI*) - cpinput=$value - ;; - -cr* | -CR*) - cpresults=$value - ;; - *) - error="$error -$arg: invalid option" - break - ;; - esac - case $value in - -*) - error="$error -$arg: invalid name $value" - break - ;; - esac - shift - arg=$1 - if [ ${arg}X = -i8X -o ${arg}X = -I8X -o ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - shift - arg=$1 - fi -done -argc=`expr $# % 2` -if test $argc -eq 1 -then -# -# odd number of arguments -# - error="$error -argument list incomplete" -fi - -if test $nprocdddm -gt 0 -then -nprocd=$nprocdddm -fi - -if test $nsolver -gt 0 -then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi -fi -# Set defaults -if test $nt -eq -1 -then -nt=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nt -lt 0 -then -nt=0 -fi -if test $nte -eq -1 -then -nte=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nte -lt 0 -then -nte=0 -fi -if test $nts -eq -1 -then -nts=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nts -lt 0 -then -nts=0 -fi -# -# set number of element loop threads -# -ntprint=$nt -nteprint=$nte -# copy from -nprocd[s] -if test $nprocdddm -gt 1 -then - nteprint=$nprocdddm -fi -# override with -nthread_elem option -if test $nte -ne 0 -then -nteprint=$nte -fi -# check for minimum 1 threads per processes for DDM -if test $nprocdddm -gt 1 -then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi -fi -nte=$nteprint -# -# set number of Solver threads -# -ntsprint=$nts -# copy from -nthread or -nprocd[s] -if test $ntprint -ne 0 -then - ntsprint=$ntprint -else - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -fi -# override with -nthread_solver option -if test $nts -ne 0 -then - ntsprint=$nts -fi -# check for minimum 1 threads per solver process. -if test $nsolver -lt $nprocdddm -then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi -else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi -fi -if test $ntsprint -eq 1 -then - set ntsprint=0 -fi -nts=$ntsprint - -# set stack size for multi-threading. -export KMP_MONITOR_STACKSIZE=7M -export OMP_STACKSIZE=7M - -# -# deprecate -nthread option at arugment of marc -nt=0 -# Reset nprocdddmm, nsolver and threads if not given. -if test $nprocdddm -eq 0 -then - nprocdarg= -fi -if test $nprocdddm -eq 0 -then - nprocdddmprint= -fi -if test $nprocdddm -eq 0 -then - nprocdddm= -fi - -if test $nsolver -eq 0 -then - nsolverprint= -fi -# end of threads setting. -gpuoption= -if test "$gpuids" = "" ; then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; 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then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_h b/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_h deleted file mode 100644 index c91496a38..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_h +++ /dev/null @@ -1,4087 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; 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do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_h $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_h $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_hmp b/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_hmp deleted file mode 100644 index 4c58e8a12..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_hmp +++ /dev/null @@ -1,4087 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_l b/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_l deleted file mode 100644 index 2093d52b4..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_l +++ /dev/null @@ -1,4087 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - shift - arg=$1 -fi -while [ -n "$arg" ] -do - shift - value=$1 - case $arg in - -al* | -AL*) - LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - $MARC_BIN/marc -alloc 1 - exit - ;; - -li* | -LI*) - justlist=yes - ;; - -fe* | -FE*) - feature=$value - ;; - -pr* | -PR*) - if test `dirname $value` = '.' - then - prog=`$BASENAME $value .marc` - progdll=`$BASENAME $value` - else - prog=`dirname $value`/`$BASENAME $value .marc` - progdll=`dirname $value`/`$BASENAME $value` - fi - prdir=`dirname $value` - case $prdir in - \/*) - ;; - *) - prog=`pwd`/$prdir/$prog - ;; - esac - ;; - -j* | -J*) - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - ;; - -r* | -R*) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - -si* | -SI*) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_l $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_l $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_lmp b/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_lmp deleted file mode 100644 index 827190af4..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_lmp +++ /dev/null @@ -1,4087 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - shift - arg=$1 -fi -while [ -n "$arg" ] -do - shift - value=$1 - case $arg in - -al* | -AL*) - LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - $MARC_BIN/marc -alloc 1 - exit - ;; - -li* | -LI*) - justlist=yes - ;; - -fe* | -FE*) - feature=$value - ;; - -pr* | -PR*) - if test `dirname $value` = '.' - then - prog=`$BASENAME $value .marc` - progdll=`$BASENAME $value` - else - prog=`dirname $value`/`$BASENAME $value .marc` - progdll=`dirname $value`/`$BASENAME $value` - fi - prdir=`dirname $value` - case $prdir in - \/*) - ;; - *) - prog=`pwd`/$prdir/$prog - ;; - esac - ;; - -j* | -J*) - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - ;; - -r* | -R*) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - -si* | -SI*) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - -pi* | -PI*) - if test -f $value.t19 - then - pid=`$BASENAME $value .t19` - else - pid=`$BASENAME $value .t16` - fi - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - -bdf | -BDF) - makebdf=1 - ;; - -de* | -DE*) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - -vf | -VF) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - -u* | -U*) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - -obj | -OBJ) - objs="$value" - ;; - -q* | -Q*) - qid=$value - ;; - -b* | -B*) - case $value in - y* | Y*) - qid=background - ;; - n* | N*) - qid=foreground - ;; - *) - ;; - esac - ;; - -at | -AT) - att=$value - ;; - -cpu* | -CPU*) - cpu=$value - ;; - -pq | -PQ*) - priority=$value - ;; - -v* | -V*) - verify=$value - ;; - -sa* | -SA*) - prgsav=$value - ;; - -np* | -NP*) - nprocdddm=$value - nprocdddmprint=$value - case $arg in - -nps* | -NPS* | -nprocds* | -NPROCDS*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - case $arg in - -np | -NP | -nprocd | -NPROCD) - icreated=0 - nprocdarg=-nprocd - ;; - esac - ;; - -ns* | -NS*) - nsolver=$value - ;; - -nt* | -NT*) - case $arg in - -nte | -NTE | -nthread_e* | -NTHREAD_E*) - nte=$value - ;; - esac - case $arg in - -nts | -NTS | -nthread_s* | -NTHREAD_S*) - nts=$value - ;; - esac - case $arg in - -nt | -NT | -nth* | -NTH* | -nthread* | -NTHREAD*) - nt=$value - ;; - esac - ;; - -gp* | -GP*) - gpuids=$value - ;; - -it* | -IT*) - itree=$value - ;; - -iam | -IAM) - iam=$value - ;; - -au* | -AU*) - nauto=$value - ;; - -dc* | -DC*) - ndcoup=$value - ;; - -dy* | -DY*) - ndytran=$value - ;; - -ou* | -OU*) - noutcore=$value - ;; - -dll | -DLL) - dllrun=$value - ;; - -trk | -TRK) - trkrun=$value - ;; - -me | -ME ) - mesh=$value - ;; - -ml | -ML ) - memlimit=$value - ;; - -mo | -MO ) - ;; - -mpi | -MPI ) - mpioption=true - MARC_MPITYPE=$value - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - else - exefile=marc - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - fi - fi - ;; - -dir* | -DIR*) - DIRJOB=$value - case $DIRJOB in - \/*) - ;; - *) - DIRJOB=`pwd`/$DIRJOB - ;; - esac - if test -z "$DIRSCRSET" - then - DIRSCR=$DIRJOB - fi - ;; - -sd* | -SD*) - DIRSCR=$value - DIRSCRSET=yes - case $DIRSCR in - \/*) - ;; - *) - DIRSCR=`pwd`/$DIRSCR - ;; - esac - ;; - -ho* | -HO*) - host=$value - ;; - -co* | -CO*) - compatible=$value - ;; - -ci* | -CI*) - cpinput=$value - ;; - -cr* | -CR*) - cpresults=$value - ;; - *) - error="$error -$arg: invalid option" - break - ;; - esac - case $value in - -*) - error="$error -$arg: invalid name $value" - break - ;; - esac - shift - arg=$1 - if [ ${arg}X = -i8X -o ${arg}X = -I8X -o ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - shift - arg=$1 - fi -done -argc=`expr $# % 2` -if test $argc -eq 1 -then -# -# odd number of arguments -# - error="$error -argument list incomplete" -fi - -if test $nprocdddm -gt 0 -then -nprocd=$nprocdddm -fi - -if test $nsolver -gt 0 -then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi -fi -# Set defaults -if test $nt -eq -1 -then -nt=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nt -lt 0 -then -nt=0 -fi -if test $nte -eq -1 -then -nte=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nte -lt 0 -then -nte=0 -fi -if test $nts -eq -1 -then -nts=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nts -lt 0 -then -nts=0 -fi -# -# set number of element loop threads -# -ntprint=$nt -nteprint=$nte -# copy from -nprocd[s] -if test $nprocdddm -gt 1 -then - nteprint=$nprocdddm -fi -# override with -nthread_elem option -if test $nte -ne 0 -then -nteprint=$nte -fi -# check for minimum 1 threads per processes for DDM -if test $nprocdddm -gt 1 -then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi -fi -nte=$nteprint -# -# set number of Solver threads -# -ntsprint=$nts -# copy from -nthread or -nprocd[s] -if test $ntprint -ne 0 -then - ntsprint=$ntprint -else - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -fi -# override with -nthread_solver option -if test $nts -ne 0 -then - ntsprint=$nts -fi -# check for minimum 1 threads per solver process. -if test $nsolver -lt $nprocdddm -then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi -else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi -fi -if test $ntsprint -eq 1 -then - set ntsprint=0 -fi -nts=$ntsprint - -# set stack size for multi-threading. -export KMP_MONITOR_STACKSIZE=7M -export OMP_STACKSIZE=7M - -# -# deprecate -nthread option at arugment of marc -nt=0 -# Reset nprocdddmm, nsolver and threads if not given. -if test $nprocdddm -eq 0 -then - nprocdarg= -fi -if test $nprocdddm -eq 0 -then - nprocdddmprint= -fi -if test $nprocdddm -eq 0 -then - nprocdddm= -fi - -if test $nsolver -eq 0 -then - nsolverprint= -fi -# end of threads setting. -gpuoption= -if test "$gpuids" = "" ; then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; 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then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_mp b/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_mp deleted file mode 100644 index 5e2f49e8e..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/run_damask_mp +++ /dev/null @@ -1,4087 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; 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- esac - ;; - -pi* | -PI*) - if test -f $value.t19 - then - pid=`$BASENAME $value .t19` - else - pid=`$BASENAME $value .t16` - fi - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - -bdf | -BDF) - makebdf=1 - ;; - -de* | -DE*) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - -vf | -VF) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - -u* | -U*) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - -obj | -OBJ) - objs="$value" - ;; - -q* | -Q*) - qid=$value - ;; - -b* | -B*) - case $value in - y* | Y*) - qid=background - ;; 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- -ou* | -OU*) - noutcore=$value - ;; - -dll | -DLL) - dllrun=$value - ;; - -trk | -TRK) - trkrun=$value - ;; - -me | -ME ) - mesh=$value - ;; - -ml | -ML ) - memlimit=$value - ;; - -mo | -MO ) - ;; - -mpi | -MPI ) - mpioption=true - MARC_MPITYPE=$value - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - else - exefile=marc - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - fi - fi - ;; - -dir* | -DIR*) - DIRJOB=$value - case $DIRJOB in - \/*) - ;; - *) - DIRJOB=`pwd`/$DIRJOB - ;; - esac - if test -z "$DIRSCRSET" - then - DIRSCR=$DIRJOB - fi - ;; - -sd* | -SD*) - DIRSCR=$value - DIRSCRSET=yes - case $DIRSCR in - \/*) - ;; - *) - DIRSCR=`pwd`/$DIRSCR - ;; - esac - ;; - -ho* | -HO*) - host=$value - ;; - -co* | -CO*) - compatible=$value - ;; - -ci* | -CI*) - cpinput=$value - ;; - -cr* | -CR*) - cpresults=$value - ;; - *) - error="$error -$arg: invalid option" - break - ;; - esac - case $value in - -*) - error="$error -$arg: invalid name $value" - break - ;; - esac - shift - arg=$1 - if [ ${arg}X = -i8X -o ${arg}X = -I8X -o ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - shift - arg=$1 - fi -done -argc=`expr $# % 2` -if test $argc -eq 1 -then -# -# odd number of arguments -# - error="$error -argument list incomplete" -fi - -if test $nprocdddm -gt 0 -then -nprocd=$nprocdddm -fi - -if test $nsolver -gt 0 -then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi -fi -# Set defaults -if test $nt -eq -1 -then -nt=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nt -lt 0 -then -nt=0 -fi -if test $nte -eq -1 -then -nte=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nte -lt 0 -then -nte=0 -fi -if test $nts -eq -1 -then -nts=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nts -lt 0 -then -nts=0 -fi -# -# set number of element loop threads -# -ntprint=$nt -nteprint=$nte -# copy from -nprocd[s] -if test $nprocdddm -gt 1 -then - nteprint=$nprocdddm -fi -# override with -nthread_elem option -if test $nte -ne 0 -then -nteprint=$nte -fi -# check for minimum 1 threads per processes for DDM -if test $nprocdddm -gt 1 -then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi -fi -nte=$nteprint -# -# set number of Solver threads -# -ntsprint=$nts -# copy from -nthread or -nprocd[s] -if test $ntprint -ne 0 -then - ntsprint=$ntprint -else - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -fi -# override with -nthread_solver option -if test $nts -ne 0 -then - ntsprint=$nts -fi -# check for minimum 1 threads per solver process. -if test $nsolver -lt $nprocdddm -then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi -else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi -fi -if test $ntsprint -eq 1 -then - set ntsprint=0 -fi -nts=$ntsprint - -# set stack size for multi-threading. -export KMP_MONITOR_STACKSIZE=7M -export OMP_STACKSIZE=7M - -# -# deprecate -nthread option at arugment of marc -nt=0 -# Reset nprocdddmm, nsolver and threads if not given. -if test $nprocdddm -eq 0 -then - nprocdarg= -fi -if test $nprocdddm -eq 0 -then - nprocdddmprint= -fi -if test $nprocdddm -eq 0 -then - nprocdddm= -fi - -if test $nsolver -eq 0 -then - nsolverprint= -fi -# end of threads setting. -gpuoption= -if test "$gpuids" = "" ; then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; 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then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014.2/Marc_tools/run_marc.original b/installation/mods_MarcMentat/2014.2/Marc_tools/run_marc.original deleted file mode 100644 index ad2de25d4..000000000 --- a/installation/mods_MarcMentat/2014.2/Marc_tools/run_marc.original +++ /dev/null @@ -1,4184 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usersubname= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$usersubname" - then - if test ! -f $usersubname - then - error="$error -user subroutine file $usersubname not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" - fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $usersubname -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $usersubname -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($usersubname)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=`dirname $value`/`$BASENAME $value .f` - usersubname=$user - basefile=`$BASENAME $value` - if test ${basefile##*.} = f - then - user=`dirname $value`/`$BASENAME $value .f` - usersubname=$user.f - elif test ${basefile##*.} = F - then - user=`dirname $value`/`$BASENAME $value .F` - usersubname=$user.F - elif test ${basefile##*.} = f90 - then - user=`dirname $value`/`$BASENAME $value .f90` - usersubname=$user.f90 - elif test ${basefile##*.} = F90 - then - user=`dirname $value`/`$BASENAME $value .F90` - usersubname=$user.F90 - fi - case $user in - \/*) - ;; - *) - user=`pwd`/$user - usersubname=`pwd`/$usersubname - ;; - esac - if test ! -f $usersubname - then - if test -f $usersubname.f - then - usersubname=$usersubname.f - elif test -f $usersubname.F - then - usersubname=$usersubname.F - elif test -f $usersubname.f90 - then - usersubname=$usersubname.f90 - elif test -f $usersubname.F90 - then - usersubname=$usersubname.F90 - fi - fi - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# - - if test "$user" - then -# program=$user.marc - program=$DIRJOB/`$BASENAME $user .f`.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$DIRJOB/`$BASENAME $user .f`.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test ${basefile##*.} = f - then - ln -sf "$user.f" "$usersub" - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user.f $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user.f on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser.f 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user.f on host `hostname`" - fi - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi - fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user.f $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user.f on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser.f 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user.f on host `hostname`" - fi - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null - -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi - fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/edit_window b/installation/mods_MarcMentat/2014.2/Mentat_bin/edit_window deleted file mode 100644 index b732a7694..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/edit_window +++ /dev/null @@ -1,5 +0,0 @@ -#!/bin/sh -# This script opens a window running an editor. -# The command to invoke the editor is specified during DAMASK installation - -%EDITOR% $* \ No newline at end of file diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/edit_window.original b/installation/mods_MarcMentat/2014.2/Mentat_bin/edit_window.original deleted file mode 100644 index 64c0a68d0..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/edit_window.original +++ /dev/null @@ -1,18 +0,0 @@ -#!/bin/sh -# This script opens a window running an editor. The default window is an -# xterm, and the default editor is vi. These may be customized. - -dir= -for d in /usr/bin /usr/bin/X11; do - if test -x "$d/xterm"; then - dir="$d" - break - fi -done - -if test -z "$dir"; then - echo "$0: Could not find xterm" - exit 1 -fi - -"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $* diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill1.original b/installation/mods_MarcMentat/2014.2/Mentat_bin/kill1.original deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill1.original +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill4 b/installation/mods_MarcMentat/2014.2/Mentat_bin/kill4 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill4 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill5 b/installation/mods_MarcMentat/2014.2/Mentat_bin/kill5 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill5 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill6 b/installation/mods_MarcMentat/2014.2/Mentat_bin/kill6 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill6 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill7 b/installation/mods_MarcMentat/2014.2/Mentat_bin/kill7 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill7 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill8 b/installation/mods_MarcMentat/2014.2/Mentat_bin/kill8 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill8 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill9 b/installation/mods_MarcMentat/2014.2/Mentat_bin/kill9 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/kill9 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit1.original b/installation/mods_MarcMentat/2014.2/Mentat_bin/submit1.original deleted file mode 100644 index cd0a2fde7..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit1.original +++ /dev/null @@ -1,186 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=/msc/marc2014.2 -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit4 b/installation/mods_MarcMentat/2014.2/Mentat_bin/submit4 deleted file mode 100644 index f25a2004e..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit4 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit5 b/installation/mods_MarcMentat/2014.2/Mentat_bin/submit5 deleted file mode 100644 index 786f6efc5..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit5 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit6 b/installation/mods_MarcMentat/2014.2/Mentat_bin/submit6 deleted file mode 100644 index 6a5d9d79f..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit6 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit7 b/installation/mods_MarcMentat/2014.2/Mentat_bin/submit7 deleted file mode 100644 index d0e3be475..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit7 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit8 b/installation/mods_MarcMentat/2014.2/Mentat_bin/submit8 deleted file mode 100644 index d466fc6ab..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit8 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit9 b/installation/mods_MarcMentat/2014.2/Mentat_bin/submit9 deleted file mode 100644 index 207a61803..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_bin/submit9 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014.2/Mentat_menus/job_run.ms b/installation/mods_MarcMentat/2014.2/Mentat_menus/job_run.ms deleted file mode 100644 index 598aeab63..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_menus/job_run.ms +++ /dev/null @@ -1,3396 +0,0 @@ -#ifndef AUTOFORGE -popmenu job_title_pm file jobs.ms -popdown job_title_ok file jobs.ms -#ifndef QT_MENTAT -popmenu marc_input_style_pm file job_common.ms -popmenu marc_input_style_run_adv_pm file job_common.ms -popmenu marc_version_run_pm file job_common.ms -#endif - -group job_solver_gr file job_common.ms -group user_domains_gr file domain_decomposition.ms -group user_domains_generate_gr file domain_decomposition.ms -group user_domains_tail_gr file domain_decomposition.ms -group job_solver_opts_gr file job_common.ms -popmenu ddm_options file job_common.ms - -#ifdef QT_MENTAT -browser edit_browser file file.ms -browser directory_browser file file.ms -screen domains file domain_decomposition.ms -#else -popmenu edit_browser_popmenu file file.ms -popmenu directory_browser_popmenu file file.ms -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu usersub_file_browser_pm { - - group { -#endif - - browser usersub_file_browser { - position 0 0 - size 82 72 - text "$usersub_file_browser_label" ($usersub_file_browser_label) - filter "*.f *.F *.f90 *.F90" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$usersub_file_browser_command" ($usersub_file_browser_command) - } -#ifndef QT_MENTAT - } - - window { - title " Select MARC User Subroutine File" - origin 30 30 - size 82 72 - } - - mode dialog - disable_right_mouse_button -} -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu host_file_browser_pm { - - group { -#endif - - browser host_file_browser { - position 0 0 - size 82 72 - text "$host_file_browser_label" ($host_file_browser_label) - filter "*" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$host_file_browser_command" ($host_file_browser_command) - } -#ifndef QT_MENTAT - } - - window { - title " Select MARC Host File" - origin 30 30 - size 82 72 - } - - mode dialog - disable_right_mouse_button -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_popmenu { - -#ifdef QT_MENTAT - text "RUN JOB" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 52 4 - text "RUN JOB" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - button { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 24 4 - text "USER SUBROUTINE FILE" -#ifdef QT_MENTAT - browser usersub_file_browser -#else - popmenu usersub_file_browser_pm -#endif - settext $usersub_file_browser_label "SELECT USER SUBROUTINE FILE" - set $usersub_file_browser_command "*job_usersub_file" - help job_usersub_file - } - - toggle { - position +26 = - size 22 4 - text "SELECTED USER SUBS" - toggle job_usersubs - help job_run_seluser - visible job_usersubs - popmenu job_usersub_pm - } - - display { - position 1 +4 - size 50 4 - display job_usersub_file - } - - button { - position 1 +4 - size 12 4 - text "EDIT" - command "*job_edit_usersub_file" - visible job_usersub_file - } - - button { - position +12 = - size 12 4 - text "CLEAR" - command "*job_clear_usersub_file" - visible job_usersub_file - } - - roller { - position +12 = - size 26 4 - nvalues 3 - texts "COMPILE / NO SAVE" - "COMPILE AND SAVE" - "RUN SAVED EXECUTABLE" - help job_run_compile - roller "job_option user_source" - visible job_usersub_file -#ifdef QT_MENTAT - commands "*job_option user_source:compile_nosave" - "*job_option user_source:compile_save" - "*job_option user_source:run_saved" -#else - popmenu job_user_source_pm -#endif - } - - toggle { - position 1 +6 - size 22 4 - text "PARALLELIZATION/\{GPU}" - help job_run_parallel - toggle "or(*job_option parallel:on, \ - *job_option assem_recov_multi_threading:on, \ - solver_multi_procs, \ - solver_multi_threads, \ - and(job_solver_mfront_sparse,\ - job_nonsym_off,\ - *job_option solver_use_gpu:on))" - popmenu job_run_parallelization_pm - set $popname2 "job_run_parallelization_pm" - } - - frame { - position +22 = - size 28 16 - border_width 1 - border_color black - - group { - - display { - position 0 0 - size 28 4 - display job_ddm_domains - } - - display { - position = +4 - size 28 4 - display job_assem_recov_nthreads - } - - display { - position = +4 - size 28 4 - display job_solver_procs - visible solver_allows_multi_procs - } - - display { - position = = - size 28 4 - display job_solver_threads - visible "and(solver_allows_multi_threads,\ - not(and(job_solver_mfront_sparse,\ - *job_option parallel:on)))" - } - - display { - position = +4 - size 28 4 - display job_solver_gpu - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } - } - } - - button { - position 1 +18 - size 8 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - -# see also job_common.ms -# see also the ADVANCED JOB SUBMISSION popmenu in this file - - label { - position +10 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" -#ifdef QT_MENTAT - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" -#else - popmenu marc_input_style_pm -#endif - help job_option_input_style - } - - button { - position +20 = - size 13 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position 1 +6 - size 16 6 - text "SUBMIT (1)" - command "*submit_job 1 *monitor_job" - } - - button { - position +16 = - size 16 6 - text "ADV. JOB SUBM." - popmenu job_submit_adv_pm - } - - button { - position +16 = - size 18 6 - text "DAMASK" - popmenu damask - } - - button { - position 1 +6 - size 16 6 - text "UPDATE" - command "*update_job" - } - - button { - position +16 = - size 16 6 - text "MONITOR" - command "*monitor_job" - } - - button { - position +16 = - size 18 6 - text "KILL" - command "*kill_job *monitor_job" - } - - label { - position 1 +7 - size 32 4 - text "STATUS" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_status" - } - - label { - position -32 +4 - size 32 4 - text "CURRENT INCREMENT (CYCLE)" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_increment" - } - - label { - position -32 +4 - size 32 4 - text "SINGULARITY RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_singularity_ratio" - } - - label { - position -32 +4 - size 32 4 - text "CONVERGENCE RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_convergence_ratio" - } - - label { - position 1 +4 - size 32 4 - text "ANALYSIS TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_analysis_time" - } - - label { - position -32 +4 - size 32 4 - text "WALL TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_time" - } - - frame { - position 1 +4 - size 50 8 - - group { - - frame { - position 0 0 - size 50 8 - text "TOTAL" - border_width 1 - border_color black - group { - - label { - position +6 = - size 13 4 - text "CYCLES" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_cycles" - border_width 1 - border_color black - } - - label { - position -13 +4 - size 13 4 - text "SEPARATIONS" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_separations" - border_width 1 - border_color black - } - - label { - position +10 -4 - size 11 4 - text "CUT BACKS" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_cut_backs" - border_width 1 - border_color black - } - - label { - position -11 +4 - size 11 4 - text "REMESHES" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_remeshes" - border_width 1 - border_color black - } - } - } - } - } - - label { - position 1 +8 - size 19 4 - text "EXIT NUMBER" - border_width 1 - border_color black - } - - integer { - position +19 = - size 10 4 - display "job_exit" - } - - button { - position +10 = - size 21 4 - text "EXIT MESSAGE" - popmenu job_exit_msg_pm - help exit_message - } - - label { - position 1 +6 - size 7 4 - text "EDIT" - border_width 1 - border_color black - } - - button { - position +7 = - size 12 4 - text "OUTPUT FILE" - command "*job_edit_output" - } - - button { - position +12 = - size 9 4 - text "LOG FILE" - command "*job_edit_log_file" - } - - button { - position +9 = - size 12 4 - text "STATUS FILE" - command "*job_edit_status_file" - } - - button { - position +12 = - size 10 4 - text "ANY FILE" - settext $edit_browser_label "EDIT FILE" - set $edit_browser_command "*edit_file" -#ifdef QT_MENTAT - browser edit_browser -#else - popmenu edit_browser_popmenu -#endif - help edit_file - } - - popdown { - position 1 +6 - size 32 4 -#ifdef QT_MENTAT - text "OPEN POST FILE (MODEL PLOT RESULTS MENU)" - command "@popdown(job_properties_pm) @main(results) @popup(modelplot_pm) *post_open_default" -#else - text "OPEN POST FILE (RESULTS MENU)" - screen results - command "*post_open_default" -#endif - } - - button { - position 1 +6 - size 12 8 - text "RESET" - command "*job_submit_reset" - } - - popdown { - position +38 = - size 12 8 - text "OK" - } - } - - window job_run_wi { - parent mentat - origin 35 1 - size 52 115 - background_color body - border_width 1 - border_color border - buffering single - } - -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_usersub_pm { - -#ifdef QT_MENTAT - text "CURRENTLY SELECTED USER SUBROUTINES" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 66 4 - text "CURRENTLY SELECTED USER SUBROUTINES" - } -#endif - - display { - position 1 +5 - size 64 86 - display "job_usersubs" - } - - popdown { - position 27 +88 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 66 102 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_submit_adv_pm { - -#ifdef QT_MENTAT - text "ADVANCED JOB SUBMISSION" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 50 4 - text "ADVANCED JOB SUBMISSION" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - label { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 19 4 - text "INITIAL ALLOCATION" - border_width 1 - border_color black - } -#ifdef QT_MENTAT - label { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - } -#else - button { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - command "*job_param general_init_allocation" - } -#endif - text { - position +15 = - size 10 4 - display "job_param_value_general_init_allocation" - command "*job_param general_init_allocation" - help job_param_general_init_allocation - } - - label { - position +10 = - size 4 4 - text "MB" - border_width 1 - border_color black - } - - toggle { - position 1 +5 - size 32 4 - text "OUT-OF-CORE ELEMENT STORAGE" - help job_param_elsto - toggle "*job_option elsto:on" - true_command "*job_option elsto:on" - false_command "*job_option elsto:off" - } - - toggle { - position 1 +4 - size 32 4 - text "OUT-OF-CORE INCREMENTAL BACKUP" - help job_param_inc_backup_storage - toggle "*job_option inc_backup_storage:out_of_core" - true_command "*job_option inc_backup_storage:out_of_core" - false_command "*job_option inc_backup_storage:in_core" - } - - toggle { - position +34 = - size 14 4 - text "CHECK SIZES" - help job_run_check - toggle "*job_option check:on" - true_command "*job_option check:on" - false_command "*job_option check:off" - } - - label { - position 1 +6 - size 16 4 - text "INTEGER SIZE" - border_width 1 - border_color black - } - - roller { - position +16 = - size 32 4 - nvalues 3 - texts "DEFAULT" - "4-BYTE INTEGERS" - "8-BYTE INTEGERS" -#ifdef QT_MENTAT - commands "*job_option marc_integer_size:default" - "*job_option marc_integer_size:i4" - "*job_option marc_integer_size:i8" -#else - popmenu marc_integer_size_pm -#endif - help job_run_intsize - roller "job_option marc_integer_size" - } - - frame { - position 1 +6 - size 48 12 - text "MARC INPUT FILE" - border_width 1 - border_color black - - group { - - label { - position 0 4 - size 9 4 - text "VERSION" - border_width 1 - border_color black - } - - roller { - position +9 = - size 14 4 - nvalues 20 - nvisible 20 - texts "DEFAULT" -#if 0 - "2014.2" -#endif - "2014.1" - "2014" - "2013.1" - "2013" - "2012" - "2011" - "2010.2" - "2010" - "2008" - "2007" - "2005R3" - "2005" - "2003" - "2001" - "2000" -#if 0 - "8" -#endif - "K7" - "K6.2" - "K5" - "K4" - help job_param_version - rollers "job_input_version_default" -#if 0 - "job_input_version_2014.2" -#endif - "job_input_version_2014.1" - "job_input_version_2014" - "job_input_version_2013.1" - "job_input_version_2013" - "job_input_version_2012" - "job_input_version_2011" - "job_input_version_2010.2" - "job_input_version_2010" - "job_input_version_2008" - "job_input_version_2007" - "job_input_version_2005r3" - "job_input_version_2005" - "job_input_version_2003" - "job_input_version_2001" - "job_input_version_2000" -#if 0 - "job_input_version_8" -#endif - "job_input_version_k7" - "job_input_version_k6" - "job_input_version_k5" - "job_input_version_k4" -#ifdef QT_MENTAT - commands "*job_option version:default" -#if 0 - "*job_option version:2014.2" -#endif - "*job_option version:2014.1" - "*job_option version:2014" - "*job_option version:2013.1" - "*job_option version:2013" - "*job_option version:2012" - "*job_option version:2011" - "*job_option version:2010.2" - "*job_option version:2010" - "*job_option version:2008" - "*job_option version:2007" - "*job_option version:2005r3" - "*job_option version:2005" - "*job_option version:2003" - "*job_option version:2001" - "*job_option version:2000" -#if 0 - "*job_option version:8" -#endif - "*job_option version:k7" - "*job_option version:k6" - "*job_option version:k5" - "*job_option version:k4" - visibles "job_allows_input_version_default" -#if 0 - "job_allows_input_version_2014.2" -#endif - "job_allows_input_version_2014.1" - "job_allows_input_version_2014" - "job_allows_input_version_2013.1" - "job_allows_input_version_2013" - "job_allows_input_version_2012" - "job_allows_input_version_2011" - "job_allows_input_version_2010.2" - "job_allows_input_version_2010" - "job_allows_input_version_2008" - "job_allows_input_version_2007" - "job_allows_input_version_2005r3" - "job_allows_input_version_2005" - "job_allows_input_version_2003" - "job_allows_input_version_2001" - "job_allows_input_version_2000" -#if 0 - "job_allows_input_version_8" -#endif - "job_allows_input_version_k7" - "job_allows_input_version_k6" - "job_allows_input_version_k5" - "job_allows_input_version_k4" -#else - popmenu marc_version_run_pm -#endif - } - -# see also job_common.ms -# see also the RUN JOB popmenu in this file - - label { - position +14 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" -#ifdef QT_MENTAT - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" -#else - popmenu marc_input_style_run_adv_pm -#endif - help job_option_input_style - } - - toggle { - position 0 +4 - size 48 4 - text "EXTENDED PRECISION" - help job_run_precision - toggle "*job_option inp_file_prec:extended" - true_command "*job_option inp_file_prec:extended" - false_command "*job_option inp_file_prec:normal" - } - } - } - - button { - position 1 +14 - size 24 4 - text "SCRATCH DIRECTORY" - settext $directory_browser_label "JOB SCRATCH DIRECTORY" - set $directory_browser_command "*job_scratch_directory" -#ifdef QT_MENTAT - browser directory_browser -#else - popmenu directory_browser_popmenu -#endif - help job_scratch_directory - } - - button { - position +24 = - size 24 4 - text "CLEAR" - command "*job_clear_scratch_directory" - visible job_scratch_directory - } - - text { - position 1 +4 - size 48 4 - display job_scratch_dir - command "*job_scratch_directory" - } - -#ifdef DCOM - toggle { - position 1 +6 - size 8 4 - text "\{DCOM}" - toggle "*job_option dcom:on" - help job_run_dcom - true_command "*job_option dcom:on" - false_command "*job_option dcom:off" - visible win32_available - } - - button { - position +8 = - size 12 4 - text "HOSTNAME" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } - - text job_dcom_hostname { - position +12 = - size 28 4 - display "job_dcom_hostname" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } -#endif - - button { - position 1 +6 - size 24 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - - button { - position +24 = - size 24 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position +4 +6 - size 20 4 - text "WRITE INPUT FILE" - command "*job_write_input" - } - - button { - position = +4 - size 20 4 - text "EDIT INPUT FILE" - command "*job_edit_input" - } - - popdown { - position 1 +5 - size 20 6 - text "SUBMIT 1" - command "*submit_job 1 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 1" - command "*execute_job 1 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 2" - command "*submit_job 2 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 2" - command "*execute_job 2 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 3" - command "*submit_job 3 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 3" - command "*execute_job 3 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } - -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - -#-------------------------------------------------------------------------------------------------- -popmenu damask { - -#ifdef QT_MENTAT - text "DAMASK.MPIE.DE" -#endif - - group { -#ifndef QT_MENTAT - label { - position 0 0 - size 50 4 - text "DAMASK.MPIE.DE" - } -#endif - - label { - position 1 6 - size 13 6 - text "Optimzation" - border_width 1 - border_color black - } - - label { - position +13 = - size 20 6 - text "write Input" - border_width 1 - border_color black - } - - label { - position +18 = - size 30 6 - text "do not write Inp." - border_width 1 - border_color black - } - - label { - position -32 +6 - size 12 6 - text "O2 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 4 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 4 *monitor_job" - } - - label { - position -32 +6 - size 12 6 - text "O1 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 5 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 5 *monitor_job" - } - - label { - position -32 +6 - size 12 6 - text "O0 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 6 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 6 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "CANCEL" - } -} - - - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - -#-------------------------------------------------------------------------------------------------- -popmenu job_exit_msg_pm { - -#ifdef QT_MENTAT - text "EXIT MESSAGE" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 86 4 - text "EXIT MESSAGE" - } - - display { - position 1 5 - size 84 74 - display "job_exit_msg" - } -#endif - -#ifdef QT_MENTAT - - text { - position 1 5 - size 84 74 - multiline - readonly - display "job_exit_msg" - } - -#endif - popdown { - position 37 +76 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 86 90 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_user_source_pm { - - window { - parent job_run_wi - origin 25 17 - size 26 17 - border_width 1 - border_color border - background_color body - } - mode dialog - - group job_user_source_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_user_source_gr { - popdown { - position 0 0 - size 26 4 - text "COMPILE / NO SAVE" - command "*job_option user_source:compile_nosave" - } - - popdown { - position = +4 - size 26 4 - text "COMPILE AND SAVE" - command "*job_option user_source:compile_save" - } - - popdown { - position = +4 - size 26 4 - text "RUN SAVED EXECUTABLE" - command "*job_option user_source:run_saved" - } - - popdown { - position = +5 - size 26 4 - text "CANCEL" - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_parallelization_pm { - -#ifdef QT_MENTAT - text "PARALLELIZATION/\{GPU}" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 60 4 - text "PARALLELIZATION/GPU" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - frame { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 48 28 - group job_ddm_gr - text "DOMAIN DECOMPOSITION" - border_width 1 - border_color black - } - - frame { - position 1 +29 - size 36 13 - group job_assem_recov_gr - text "ASSEMBLY AND RECOVERY" - border_width 1 - border_color black - } - - frame { - position 1 +14 - size 58 31 - group job_parallel_matrix_solver_gr - text "MATRIX SOLVER" - border_width 1 - border_color black - } - - frame { - position 1 +32 - size 48 28 - group job_parallel_env_gr - text "PARALLELIZATION ENVIRONMENT" - border_width 1 - border_color black - visible "or(*job_option parallel:on, \ - solver_multi_procs)" - } - - popdown { - position 24 +30 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 1 - size 60 119 - background_color body - border_width 1 - border_color border - buffering single - } -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_gr { - - toggle { - position 1 4 - size 30 4 - text "USE \{DDM}" - toggle "*job_option parallel:on" - help job_run_ddm_use - true_command "*job_option parallel:on" - false_command "*job_option parallel:off" - active "not(job_solver_it_ext)" - } - - frame { - position +2 +5 - size 44 18 - group job_ddm_use_gr - visible "*job_option parallel:on" - } -} - -group job_ddm_use_gr { - roller { - position 0 0 - size 30 4 - nvalues 2 - texts "DECOMPOSITION IN MARC" - "DECOMPOSITION IN MENTAT" - roller "job_option ddm_generator" -#ifdef QT_MENTAT - commands "*job_option ddm_generator:fea_solver" - "*job_option ddm_generator:preprocessor" -#else - popmenu job_ddm_generator_pm -#endif - help job_run_ddm_generator - } - - frame { - position 0 +5 - size 44 8 - group job_ddm_fea_solver_gr - visible "*job_option ddm_generator:fea_solver" - } - - frame { - position = = - size 44 8 - group job_ddm_preprocessor_gr - visible "*job_option ddm_generator:preprocessor" - } - - text { - position 0 +9 - size 22 4 -#ifdef QT_MENTAT - text "Single Input File" -#else - text "SINGLE INPUT FILE" -#endif - readonly - visible "*job_option ddm_generator:fea_solver" - } - - roller { - position = = - size 22 4 - nvalues 2 - texts "MULTIPLE INPUT FILES" - "SINGLE INPUT FILE" - roller "job_option ddm_single_input" - commands "*job_option ddm_single_input:off" - "*job_option ddm_single_input:on" - visible "*job_option ddm_generator:preprocessor" - help job_run_ddm_single_input - } - - roller { - position +23 = - size 21 4 - nvalues 2 - texts "MULTIPLE POST FILES" - "SINGLE POST FILE" - roller "job_option ddm_single_post" - commands "*job_option ddm_single_post:off" - "*job_option ddm_single_post:on" - help job_run_ddm_single_post - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_generator_pm { - - window { - parent mentat - origin 42 19 - size 30 13 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_generator_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_generator_gr { - - popdown { - position 0 0 - size 30 4 - text "DECOMPOSITION IN MARC" - command "*job_option ddm_generator:fea_solver" - help job_run_ddm_generator - } - - popdown { - position = +4 - size 30 4 - text "DECOMPOSITION IN MENTAT" - command "*job_option ddm_generator:preprocessor" - help job_run_ddm_generator - } - - popdown { - position = +5 - size 30 4 - text "CANCEL" - help job_run_ddm_generator - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_fea_solver_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 10 4 - text "# DOMAINS" - help job_param - } -#else - button { - position 0 0 - size 10 4 - text "# DOMAINS" - command "*job_param ndomains" - } -#endif - - text { - position +10 = - size 4 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position +4 = - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#ifdef QT_MENTAT - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#else - popmenu job_ddm_method_pm -#endif - } - - button { - position +4 +4 - size 19 4 - text "ADVANCED SETTINGS" -#ifdef QT_MENTAT - popmenu job_ddm_fea_solver_pm -#else - screen job_ddm_fea_solver_sc - command "@popdown($popname2) @popdown($popname1)" ($popname2, $popname1) -#endif - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_method_pm { - - window { - parent mentat - origin 56 24 - size 30 33 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_method_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_method_gr { - - popdown { - position 0 0 - size 30 4 - text "METIS BEST" - command "*job_option ddm_method:metis_best" - } - - popdown { - position = +4 - size 30 4 - text "METIS ELEMENT BASED" - command "*job_option ddm_method:metis_element_based" - } - - popdown { - position = +4 - size 30 4 - text "METIS NODE BASED" - command "*job_option ddm_method:metis_node_based" - } - - popdown { - position = +4 - size 30 4 - text "RECURSIVE COORDINATE BISECTION" - command "*job_option ddm_method:recur_coord_bisect" - } - - popdown { - position = +4 - size 30 4 - text "VECTOR" - command "*job_option ddm_method:vector" - } - - popdown { - position = +4 - size 30 4 - text "RADIAL" - command "*job_option ddm_method:radial" - } - - popdown { - position = +4 - size 30 4 - text "ANGULAR" - command "*job_option ddm_method:angular" - } - - popdown { - position = +5 - size 30 4 - text "CANCEL" - } -} -#endif - - -#ifdef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_fea_solver_pm { - - text "JOB PARALLELIZATION" -#else -screen job_ddm_fea_solver_sc { - - menu { -#endif - - group { - units 32 120 - -#ifndef QT_MENTAT - label { - position 0 0 - size 32 4 - text "JOB PARALLELIZATION" - } -#endif - - label { - position 0 5 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - -#ifdef QT_MENTAT - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - frame { - -#ifdef QT_MENTAT - position 0 +9 -#else - position 0 +5 -#endif - size 32 76 - text "ADVANCED DECOMPOSITION IN MARC" - border_width 1 - border_color black - - group { - -#ifdef QT_MENTAT - label { - position 1 4 - size 16 4 - text "# DOMAINS" - help job_param - } -#else - button { - position 1 4 - size 16 4 - text "# DOMAINS" - command "*job_param ndomains" - } -#endif - - text { - position +16 = - size 14 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position 1 +4 - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#ifdef QT_MENTAT - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#else - popmenu job_ddm_method2_pm -#endif - } - - frame { - position 1 +5 - size 30 20 - group job_ddm_direction_gr - visible "or(*job_option ddm_method:vector, \ - *job_option ddm_method:radial, \ - *job_option ddm_method:angular)" - } - - toggle { - position 1 +21 - size 30 4 - text "DOMAIN ISLAND REMOVAL" - toggle "*job_option ddm_island_removal:on" - true_command "*job_option ddm_island_removal:on" - false_command "*job_option ddm_island_removal:off" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "GRAPH" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "COARSE" - "FINE" - help ddm_decomp_coarse_graph - rollers "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - commands "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "QUADRATIC ELEMENTS" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "GENUINE" - "LINEARIZED" - help job_run_ddm_decomp_linearized - rollers "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - commands "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - } - -#ifdef QT_MENTAT - label { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - help job_param - } -#else - button { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } -#endif - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_elem_weight_factor" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } - - toggle { - position 1 +5 - size 30 4 - text "DETECT CONTACT" - toggle "*job_option ddm_detect_contact:on" - true_command "*job_option ddm_detect_contact:on" - false_command "*job_option ddm_detect_contact:off" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - help job_run_ddm_decomp_detect_contact - } - -#ifdef QT_MENTAT - label { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - visible "*job_option ddm_detect_contact:on" - } -#else - button { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } -#endif - - text { - position +15 = - size 15 4 - command "*set_ddm_contact_tolerance" - display "job_param_value_ddm_contact_tolerance" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } - -#ifdef QT_MENTAT - label { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - visible "*job_option ddm_detect_contact:on" - } -#else - button { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } -#endif - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_contact_constr_factor" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } - } - } - -#ifdef QT_MENTAT - popdown { - position 0 +77 - size 32 8 - text "OK" - } -#else - frame { - position 0 +77 - size 32 8 - group ok2_gr - } - - frame select_frame - frame inactive_return -#endif - } -#ifndef QT_MENTAT - window main_window - disable_right_mouse_button - } - - menu transform -} # job_ddm_fea_solver_sc -#else - mode permanent -} # job_ddm_fea_solver_pm -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_method2_pm { - - window { - parent mentat - origin 1 22 - size 30 33 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_method_gr -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_direction_gr { - - button { - position 0 0 - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "*job_option ddm_method:vector" - } - - button { - position = = - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "not(*job_option ddm_method:vector)" - } - - button { - position +15 = - size 15 4 - text "FROM / TO" - command "*job_vector_from_to ddm_sort_direction_x" - } - - text { - position -15 +4 - size 10 4 - command "*job_param ddm_sort_direction_x" - display "job_param_value_ddm_sort_direction_x" - help ddm_job_decomp_user_direction_x - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_y" - display "job_param_value_ddm_sort_direction_y" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_z" - display "job_param_value_ddm_sort_direction_z" - } - - frame { - position 0 +4 - size 30 8 - group job_ddm_sort_point_gr - visible "not(*job_option ddm_method:vector)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_gr { - - label { - position 0 0 - size 14 4 - border_width 1 - border_color black - text "POINT ON AXIS" - } - - roller { - position +14 = - size 10 4 - nvalues 2 - texts "DEFAULT" - "USER" - roller "job_option ddm_sort_point" -#ifdef QT_MENTAT - commands "*job_option ddm_sort_point:default" - "*job_option ddm_sort_point:user" -#else - popmenu job_ddm_sort_point_meth_pm -#endif - } - - button { - position +10 = - size 6 4 - text "SET" - command "*job_position ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position 0 +4 - size 10 4 - command "*job_param ddm_sort_point_x" - display "job_param_value_ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_y" - display "job_param_value_ddm_sort_point_y" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_z" - display "job_param_value_ddm_sort_point_z" - visible "*job_option ddm_sort_point:user" - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_sort_point_meth_pm { - - window { - parent mentat - origin 15 35 - size 14 13 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_sort_point_meth_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_meth_gr { - - popdown { - position 0 0 - size 14 4 - text "DEFAULT" - command "*job_option ddm_sort_point:default" - } - - popdown { - position = +4 - size 14 4 - text "USER DEFINED" - command "*job_option ddm_sort_point:user" - } - - popdown { - position = +5 - size 14 4 - text "CANCEL" - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_preprocessor_gr { - - label { - position 0 0 - size 10 4 - text "# DOMAINS" - border_width 1 - border_color black - } - - integer { - position +10 = - size 4 4 - display valid_domains - } - - button { - position +4 = - size 30 4 - text "USER DOMAINS" -#ifdef QT_MENTAT - popmenu domains_pm -#else - screen job_ddm_user_domains_sc - command "@popdown($popname2) @popdown($popname1)" ($popname2, $popname1) -#endif - help job_run_ddm_user_domains - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -screen job_ddm_user_domains_sc { - - menu { - - group { - units 32 120 - - label { - position 0 0 - size 32 4 - text "USER DOMAINS" - } - - frame { - position 0 5 - size 32 28 - group user_domains_gr - } - - frame { - position 0 +29 - size 32 49 - group user_domains_generate_gr - } - - frame { - position 0 +50 - size 32 8 - group user_domains_tail_gr - } - - frame { - position 0 92 - size 32 8 - group ok2_gr - } - - frame select_frame - frame inactive_return - } - window main_window - disable_right_mouse_button - - } - - menu transform - -} # job_ddm_user_domains_sc -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_assem_recov_gr { - - toggle { - position 1 +4 - size 30 4 - text "MULTIPLE THREADS" - true_command "*job_option assem_recov_multi_threading:on" - false_command "*job_option assem_recov_multi_threading:off" - toggle "*job_option assem_recov_multi_threading:on" - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 12 4 - text "# THREADS" - visible "*job_option assem_recov_multi_threading:on" - } -#else - button { - position +2 +4 - size 12 4 - text "# THREADS" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } -#endif - - text { - position +12 = - size 4 4 - display "job_param_value_assem_recov_nthreads" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } - - label { - position +4 = - size 12 4 - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 = - size 4 4 - display "job_assem_recov_nthreads_dom" - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_matrix_solver_gr { - - label { - position 3 4 - size 12 4 - text "SOLUTION" - border_width 1 - border_color black - } - - roller { - position +12 = - size 18 4 - nvalues 2 - texts "SYMMETRIC" - "NONSYMMETRIC" - rollers job_nonsym_off - job_nonsym_on - commands "*job_option solver_nonsym:off" - "*job_option solver_nonsym:on" - help job_param_solver_method - } - - label { - position -12 +4 - size 6 4 - text "TYPE" - border_width 1 - border_color black - } - - roller { - position +6 = - size 24 4 - nvalues 9 - help job_param_solver_method - texts "MULTIFRONTAL SPARSE" - "MIXED DIRECT-ITERATIVE" - "CASI ITERATIVE" - "PARDISO DIRECT SPARSE" - "MUMPS PARALLEL DIRECT" - "HARDWARE SPARSE" - "ITERATIVE SPARSE" - "DIRECT PROFILE" - "DIRECT SPARSE" - rollers job_solver_mfront_sparse - job_solver_mixed_direct_iterative - job_solver_it_ext - job_solver_pardiso - job_solver_mumps - job_solver_sparse - job_solver_it_sparse - job_solver_dir_profile - job_solver_dir_sparse -#ifdef QT_MENTAT - commands "*job_option solver:mfront_sparse" - "*job_option solver:mixed_direct_iterative" - "*job_option solver:it_ext" - "*job_option solver:pardiso" - "*job_option solver:mumps" - "*job_option solver:sparse" - "*job_option solver:it_sparse" - "*job_option solver:dir_profile" - "*job_option solver:dir_sparse" - visibles job_allows_solver_mfront_sparse - job_allows_solver_mixed_direct_iterative - job_allows_solver_it_ext - job_allows_solver_pardiso - job_allows_solver_mumps - job_allows_solver_sparse - job_allows_solver_it_sparse - job_allows_solver_dir_profile - job_allows_solver_dir_sparse - help job_param_solver_method -#else - popmenu job_set_parallel_matrix_solver_pm -#endif - } - - button { - position +24 = - size 10 4 - text "OPTIONS" - popmenu job_parallel_matrix_solver_opt_pm - } - - frame { - position +10 = - size 14 4 - group job_run_solver_ddm_opts_gr - visible "*job_option parallel:on" - } - - frame { - position 1 +5 - size 46 8 - group job_solver_multi_procs_gr - visible solver_allows_multi_procs - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_gr - visible solver_allows_multi_threads - } - - frame { - position 1 +9 - size 46 8 - group job_solver_gpu_gr - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_set_parallel_matrix_solver_pm { - window { - parent mentat - origin 48 61 - size 24 42 - border_width 1 - border_color border - background_color body - } - mode dialog - - group job_solver_gr -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_parallel_matrix_solver_opt_pm { - -#ifdef QT_MENTAT - text "MATRIX SOLVER OPTIONS" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 38 4 - text "MATRIX SOLVER OPTIONS" - } -#endif - - frame { - position 1 5 - size 36 23 - group job_solver_opts_gr - } - - popdown { - position 13 +25 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 41 12 - size 38 39 - border_width 1 - border_color border - background_color body - } - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -group job_run_solver_ddm_opts_gr { - - button { - position 0 0 - size 14 4 - text "\{DDM} OPTIONS" - popmenu ddm_options -# see also job_common.ms! - visible "not(or(job_solver_it_sparse, \ - job_solver_it_ext, \ - job_solver_mixed_direct_iterative, \ - job_solver_pardiso, \ - job_solver_mumps))" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_procs_parallel_off_gr - visible "*job_option parallel:off" - } - - frame { - position = = - size 46 8 - group job_solver_multi_procs_parallel_on_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - true_command "*job_option nsolver_procs_serial:on" - false_command "*job_option nsolver_procs_serial:off" - toggle "*job_option nsolver_procs_serial:on" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - visible "*job_option nsolver_procs_serial:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# PROCESSES" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - border_width 1 - border_color black - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - help job_run_multithreading - rollers "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_nsolver_procs_ddm_automatic_gr - visible "*job_option nsolver_procs_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_nsolver_procs_ddm_user_gr - visible "*job_option nsolver_procs_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nsolver_procs" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - } -} - -group job_solver_multi_threads_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_threads_mfront_sparse_parallel_off_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_mfront_sparse_parallel_on_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:on)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_off_gr - visible "and(job_solver_pardiso,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_on_gr - visible "and(job_solver_pardiso,*job_option parallel:on)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_it_ext_off_gr - visible "and(job_solver_it_ext,*job_option parallel:off)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option mfront_sparse_multi_threading:on" - true_command "*job_option mfront_sparse_multi_threading:on" - false_command "*job_option mfront_sparse_multi_threading:off" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option mfront_sparse_multi_threading:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# THREADS" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +30 0 - size 12 4 - visible "and( not(*job_option ddm_precond:direct)\ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 0 - size 4 4 - display "job_mfront_sparse_nthreads_dom" - visible "and( not(*job_option ddm_precond:direct)\ - *job_option parallel:on)" - } - - label { - position 2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option mfront_sparse_multi_threading_ddm:automatic" - "*job_option mfront_sparse_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option mfront_sparse_multi_threading_ddm:automatic" - "*job_option mfront_sparse_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_mfront_sparse_multi_threads_ddm_automatic_gr - visible "*job_option mfront_sparse_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_mfront_sparse_multi_threads_ddm_user_gr - visible "*job_option mfront_sparse_multi_threading_ddm:user" - } -} -#-------------------------------------------------------------------------------------------------- -group job_mfront_sparse_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_mfront_sparse_multi_threads_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nthreads" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - - - -#-------------------------------------------------------------------------------------------------- -group job_solver_gpu_gr { - - toggle { - position 0 0 - size 30 4 - text "USE \{GPU(s)}" - toggle "*job_option solver_use_gpu:on" - true_command "*job_option solver_use_gpu:on" - false_command "*job_option solver_use_gpu:off" - help job_solver_gpu - } - - label { - position +2 +4 - size 16 4 - text "\{GPU} SELECTION" - border_width 1 - border_color black - visible "*job_option solver_use_gpu:on" - } - - roller { - position +16 = - size 12 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - rollers "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - visible "*job_option solver_use_gpu:on" - help job_solver_gpu - } - - text { - position +12 = - size 16 4 - display job_solver_gpus - command "*clear_job_solver_gpus *job_solver_gpus" - visible "and(*job_option solver_use_gpu:on,*job_option solver_gpus:user)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option pardiso_multi_threading:on" - true_command "*job_option pardiso_multi_threading:on" - false_command "*job_option pardiso_multi_threading:off" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option pardiso_multi_threading:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# THREADS" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_pardiso_multi_threads_ddm_automatic_gr - visible "*job_option pardiso_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_pardiso_multi_threads_ddm_user_gr - visible "*job_option pardiso_multi_threading_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nthreads" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_it_ext_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option it_ext_multi_threading:on" - true_command "*job_option it_ext_multi_threading:on" - false_command "*job_option it_ext_multi_threading:off" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option it_ext_multi_threading:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option it_ext_multi_threading:on" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_gr { - - roller { - position 1 4 - size 30 4 - nvalues 2 - texts "SINGLE MACHINE" - "NETWORK" - help job_run_ddm_setup - roller "job_option parallel_setup" - commands "*job_option parallel_setup:single" - "*job_option parallel_setup:network" - } - - frame { - position +2 +5 - size 44 18 - group job_parallel_env_network_gr - visible "*job_option parallel_setup:network" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_gr { - - button { - position 0 0 - size 28 4 - text "HOST FILE" -#ifdef QT_MENTAT - browser host_file_browser -#else - popmenu host_file_browser_pm -#endif - settext $host_file_browser_label "SELECT HOST FILE" - set $host_file_browser_command "*job_host_file" - help job_host_file - } - - button { - position +28 = - size 8 4 - text "EDIT" - command "*job_edit_host_file" - help job_edit_host_file - visible job_host_file - } - - button { - position +8 = - size 8 4 - text "CLEAR" - command "*job_clear_host_file" - help job_clear_host_file - visible job_host_file - } - - display { - position 0 +4 - size 44 4 - display job_host_file - } - - frame { - position 0 +5 - size 44 9 - group job_parallel_env_network_ddm_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_ddm_gr { - - toggle { - position 0 0 - size 22 4 - text "COPY INPUT FILE" - toggle "*job_option copy_input_file:on" - true_command "*job_option copy_input_file:on" - false_command "*job_option copy_input_file:off" - help job_host_copy_inputfile - } - - toggle { - position +23 = - size 21 4 - text "COPY POST FILE" - toggle "*job_option copy_post_file:on" - true_command "*job_option copy_post_file:on" - false_command "*job_option copy_post_file:off" - help job_host_copy_inputfile - } - - label { - position 0 +5 - size 10 4 - text "HOSTS" - border_width 1 - border_color black - visible job_usersub_file - } - - roller { - position +10 = - size 18 4 - nvalues 2 - texts "COMPATIBLE" - "INCOMPATIBLE" - roller "job_option network_hosts" - commands "*job_option network_hosts:compatible" - "*job_option network_hosts:incompatible" - help job_host_comp - visible job_usersub_file - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu marc_integer_size_pm { - - window { - parent mentat - origin 55 32 - size 32 17 - border_width 1 - border_color border - background_color body - } - mode dialog - - group marc_integer_size_gr -} - - -#-------------------------------------------------------------------------------------------------- -group marc_integer_size_gr { - - popdown { - position 0 0 - size 32 4 - text "DEFAULT" - command "*job_option marc_integer_size:default" - help job_run_intsize - } - - popdown { - position = +4 - size 32 4 - text "4-BYTE INTEGERS" - command "*job_option marc_integer_size:i4" - help job_run_intsize - } - - popdown { - position = +4 - size 32 4 - text "8-BYTE INTEGERS" - command "*job_option marc_integer_size:i8" - help job_run_intsize - } - - popdown { - position = +5 - size 32 4 - text "CANCEL" - help job_run_intsize - } -} -#endif -#endif diff --git a/installation/mods_MarcMentat/2014.2/Mentat_menus/job_run.ms.original b/installation/mods_MarcMentat/2014.2/Mentat_menus/job_run.ms.original deleted file mode 100644 index 3397e70a0..000000000 --- a/installation/mods_MarcMentat/2014.2/Mentat_menus/job_run.ms.original +++ /dev/null @@ -1,3255 +0,0 @@ -#ifndef AUTOFORGE -popmenu job_title_pm file jobs.ms -popdown job_title_ok file jobs.ms -#ifndef QT_MENTAT -popmenu marc_input_style_pm file job_common.ms -popmenu marc_input_style_run_adv_pm file job_common.ms -popmenu marc_version_run_pm file job_common.ms -#endif - -group job_solver_gr file job_common.ms -group user_domains_gr file domain_decomposition.ms -group user_domains_generate_gr file domain_decomposition.ms -group user_domains_tail_gr file domain_decomposition.ms -group job_solver_opts_gr file job_common.ms -popmenu ddm_options file job_common.ms - -#ifdef QT_MENTAT -browser edit_browser file file.ms -browser directory_browser file file.ms -screen domains file domain_decomposition.ms -#else -popmenu edit_browser_popmenu file file.ms -popmenu directory_browser_popmenu file file.ms -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu usersub_file_browser_pm { - - group { -#endif - - browser usersub_file_browser { - position 0 0 - size 82 72 - text "$usersub_file_browser_label" ($usersub_file_browser_label) - filter "*.f *.F *.f90 *.F90" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$usersub_file_browser_command" ($usersub_file_browser_command) - } -#ifndef QT_MENTAT - } - - window { - title " Select MARC User Subroutine File" - origin 30 30 - size 82 72 - } - - mode dialog - disable_right_mouse_button -} -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu host_file_browser_pm { - - group { -#endif - - browser host_file_browser { - position 0 0 - size 82 72 - text "$host_file_browser_label" ($host_file_browser_label) - filter "*" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$host_file_browser_command" ($host_file_browser_command) - } -#ifndef QT_MENTAT - } - - window { - title " Select MARC Host File" - origin 30 30 - size 82 72 - } - - mode dialog - disable_right_mouse_button -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_popmenu { - -#ifdef QT_MENTAT - text "RUN JOB" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 52 4 - text "RUN JOB" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - button { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 24 4 - text "USER SUBROUTINE FILE" -#ifdef QT_MENTAT - browser usersub_file_browser -#else - popmenu usersub_file_browser_pm -#endif - settext $usersub_file_browser_label "SELECT USER SUBROUTINE FILE" - set $usersub_file_browser_command "*job_usersub_file" - help job_usersub_file - } - - toggle { - position +26 = - size 22 4 - text "SELECTED USER SUBS" - toggle job_usersubs - help job_run_seluser - visible job_usersubs - popmenu job_usersub_pm - } - - display { - position 1 +4 - size 50 4 - display job_usersub_file - } - - button { - position 1 +4 - size 12 4 - text "EDIT" - command "*job_edit_usersub_file" - visible job_usersub_file - } - - button { - position +12 = - size 12 4 - text "CLEAR" - command "*job_clear_usersub_file" - visible job_usersub_file - } - - roller { - position +12 = - size 26 4 - nvalues 3 - texts "COMPILE / NO SAVE" - "COMPILE AND SAVE" - "RUN SAVED EXECUTABLE" - help job_run_compile - roller "job_option user_source" - visible job_usersub_file -#ifdef QT_MENTAT - commands "*job_option user_source:compile_nosave" - "*job_option user_source:compile_save" - "*job_option user_source:run_saved" -#else - popmenu job_user_source_pm -#endif - } - - toggle { - position 1 +6 - size 22 4 - text "PARALLELIZATION/\{GPU}" - help job_run_parallel - toggle "or(*job_option parallel:on, \ - *job_option assem_recov_multi_threading:on, \ - solver_multi_procs, \ - solver_multi_threads, \ - and(job_solver_mfront_sparse,\ - job_nonsym_off,\ - *job_option solver_use_gpu:on))" - popmenu job_run_parallelization_pm - set $popname2 "job_run_parallelization_pm" - } - - frame { - position +22 = - size 28 16 - border_width 1 - border_color black - - group { - - display { - position 0 0 - size 28 4 - display job_ddm_domains - } - - display { - position = +4 - size 28 4 - display job_assem_recov_nthreads - } - - display { - position = +4 - size 28 4 - display job_solver_procs - visible solver_allows_multi_procs - } - - display { - position = = - size 28 4 - display job_solver_threads - visible "and(solver_allows_multi_threads,\ - not(and(job_solver_mfront_sparse,\ - *job_option parallel:on)))" - } - - display { - position = +4 - size 28 4 - display job_solver_gpu - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } - } - } - - button { - position 1 +18 - size 8 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - -# see also job_common.ms -# see also the ADVANCED JOB SUBMISSION popmenu in this file - - label { - position +10 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" -#ifdef QT_MENTAT - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" -#else - popmenu marc_input_style_pm -#endif - help job_option_input_style - } - - button { - position +20 = - size 13 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position 1 +6 - size 16 6 - text "SUBMIT (1)" - command "*submit_job 1 *monitor_job" - } - - button { - position +16 = - size 34 6 - text "ADVANCED JOB SUBMISSION" - popmenu job_submit_adv_pm - } - - button { - position 1 +6 - size 16 6 - text "UPDATE" - command "*update_job" - } - - button { - position +16 = - size 16 6 - text "MONITOR" - command "*monitor_job" - } - - button { - position +16 = - size 18 6 - text "KILL" - command "*kill_job *monitor_job" - } - - label { - position 1 +7 - size 32 4 - text "STATUS" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_status" - } - - label { - position -32 +4 - size 32 4 - text "CURRENT INCREMENT (CYCLE)" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_increment" - } - - label { - position -32 +4 - size 32 4 - text "SINGULARITY RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_singularity_ratio" - } - - label { - position -32 +4 - size 32 4 - text "CONVERGENCE RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_convergence_ratio" - } - - label { - position 1 +4 - size 32 4 - text "ANALYSIS TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_analysis_time" - } - - label { - position -32 +4 - size 32 4 - text "WALL TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_time" - } - - frame { - position 1 +4 - size 50 8 - - group { - - frame { - position 0 0 - size 50 8 - text "TOTAL" - border_width 1 - border_color black - group { - - label { - position +6 = - size 13 4 - text "CYCLES" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_cycles" - border_width 1 - border_color black - } - - label { - position -13 +4 - size 13 4 - text "SEPARATIONS" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_separations" - border_width 1 - border_color black - } - - label { - position +10 -4 - size 11 4 - text "CUT BACKS" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_cut_backs" - border_width 1 - border_color black - } - - label { - position -11 +4 - size 11 4 - text "REMESHES" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_remeshes" - border_width 1 - border_color black - } - } - } - } - } - - label { - position 1 +8 - size 19 4 - text "EXIT NUMBER" - border_width 1 - border_color black - } - - integer { - position +19 = - size 10 4 - display "job_exit" - } - - button { - position +10 = - size 21 4 - text "EXIT MESSAGE" - popmenu job_exit_msg_pm - help exit_message - } - - label { - position 1 +6 - size 7 4 - text "EDIT" - border_width 1 - border_color black - } - - button { - position +7 = - size 12 4 - text "OUTPUT FILE" - command "*job_edit_output" - } - - button { - position +12 = - size 9 4 - text "LOG FILE" - command "*job_edit_log_file" - } - - button { - position +9 = - size 12 4 - text "STATUS FILE" - command "*job_edit_status_file" - } - - button { - position +12 = - size 10 4 - text "ANY FILE" - settext $edit_browser_label "EDIT FILE" - set $edit_browser_command "*edit_file" -#ifdef QT_MENTAT - browser edit_browser -#else - popmenu edit_browser_popmenu -#endif - help edit_file - } - - popdown { - position 1 +6 - size 32 4 -#ifdef QT_MENTAT - text "OPEN POST FILE (MODEL PLOT RESULTS MENU)" - command "@popdown(job_properties_pm) @main(results) @popup(modelplot_pm) *post_open_default" -#else - text "OPEN POST FILE (RESULTS MENU)" - screen results - command "*post_open_default" -#endif - } - - button { - position 1 +6 - size 12 8 - text "RESET" - command "*job_submit_reset" - } - - popdown { - position +38 = - size 12 8 - text "OK" - } - } - - window job_run_wi { - parent mentat - origin 35 1 - size 52 115 - background_color body - border_width 1 - border_color border - buffering single - } - -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_usersub_pm { - -#ifdef QT_MENTAT - text "CURRENTLY SELECTED USER SUBROUTINES" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 66 4 - text "CURRENTLY SELECTED USER SUBROUTINES" - } -#endif - - display { - position 1 +5 - size 64 86 - display "job_usersubs" - } - - popdown { - position 27 +88 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 66 102 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_submit_adv_pm { - -#ifdef QT_MENTAT - text "ADVANCED JOB SUBMISSION" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 50 4 - text "ADVANCED JOB SUBMISSION" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - label { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 19 4 - text "INITIAL ALLOCATION" - border_width 1 - border_color black - } -#ifdef QT_MENTAT - label { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - } -#else - button { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - command "*job_param general_init_allocation" - } -#endif - text { - position +15 = - size 10 4 - display "job_param_value_general_init_allocation" - command "*job_param general_init_allocation" - help job_param_general_init_allocation - } - - label { - position +10 = - size 4 4 - text "MB" - border_width 1 - border_color black - } - - toggle { - position 1 +5 - size 32 4 - text "OUT-OF-CORE ELEMENT STORAGE" - help job_param_elsto - toggle "*job_option elsto:on" - true_command "*job_option elsto:on" - false_command "*job_option elsto:off" - } - - toggle { - position 1 +4 - size 32 4 - text "OUT-OF-CORE INCREMENTAL BACKUP" - help job_param_inc_backup_storage - toggle "*job_option inc_backup_storage:out_of_core" - true_command "*job_option inc_backup_storage:out_of_core" - false_command "*job_option inc_backup_storage:in_core" - } - - toggle { - position +34 = - size 14 4 - text "CHECK SIZES" - help job_run_check - toggle "*job_option check:on" - true_command "*job_option check:on" - false_command "*job_option check:off" - } - - label { - position 1 +6 - size 16 4 - text "INTEGER SIZE" - border_width 1 - border_color black - } - - roller { - position +16 = - size 32 4 - nvalues 3 - texts "DEFAULT" - "4-BYTE INTEGERS" - "8-BYTE INTEGERS" -#ifdef QT_MENTAT - commands "*job_option marc_integer_size:default" - "*job_option marc_integer_size:i4" - "*job_option marc_integer_size:i8" -#else - popmenu marc_integer_size_pm -#endif - help job_run_intsize - roller "job_option marc_integer_size" - } - - frame { - position 1 +6 - size 48 12 - text "MARC INPUT FILE" - border_width 1 - border_color black - - group { - - label { - position 0 4 - size 9 4 - text "VERSION" - border_width 1 - border_color black - } - - roller { - position +9 = - size 14 4 - nvalues 20 - nvisible 20 - texts "DEFAULT" -#if 0 - "2014.2" -#endif - "2014.1" - "2014" - "2013.1" - "2013" - "2012" - "2011" - "2010.2" - "2010" - "2008" - "2007" - "2005R3" - "2005" - "2003" - "2001" - "2000" -#if 0 - "8" -#endif - "K7" - "K6.2" - "K5" - "K4" - help job_param_version - rollers "job_input_version_default" -#if 0 - "job_input_version_2014.2" -#endif - "job_input_version_2014.1" - "job_input_version_2014" - "job_input_version_2013.1" - "job_input_version_2013" - "job_input_version_2012" - "job_input_version_2011" - "job_input_version_2010.2" - "job_input_version_2010" - "job_input_version_2008" - "job_input_version_2007" - "job_input_version_2005r3" - "job_input_version_2005" - "job_input_version_2003" - "job_input_version_2001" - "job_input_version_2000" -#if 0 - "job_input_version_8" -#endif - "job_input_version_k7" - "job_input_version_k6" - "job_input_version_k5" - "job_input_version_k4" -#ifdef QT_MENTAT - commands "*job_option version:default" -#if 0 - "*job_option version:2014.2" -#endif - "*job_option version:2014.1" - "*job_option version:2014" - "*job_option version:2013.1" - "*job_option version:2013" - "*job_option version:2012" - "*job_option version:2011" - "*job_option version:2010.2" - "*job_option version:2010" - "*job_option version:2008" - "*job_option version:2007" - "*job_option version:2005r3" - "*job_option version:2005" - "*job_option version:2003" - "*job_option version:2001" - "*job_option version:2000" -#if 0 - "*job_option version:8" -#endif - "*job_option version:k7" - "*job_option version:k6" - "*job_option version:k5" - "*job_option version:k4" - visibles "job_allows_input_version_default" -#if 0 - "job_allows_input_version_2014.2" -#endif - "job_allows_input_version_2014.1" - "job_allows_input_version_2014" - "job_allows_input_version_2013.1" - "job_allows_input_version_2013" - "job_allows_input_version_2012" - "job_allows_input_version_2011" - "job_allows_input_version_2010.2" - "job_allows_input_version_2010" - "job_allows_input_version_2008" - "job_allows_input_version_2007" - "job_allows_input_version_2005r3" - "job_allows_input_version_2005" - "job_allows_input_version_2003" - "job_allows_input_version_2001" - "job_allows_input_version_2000" -#if 0 - "job_allows_input_version_8" -#endif - "job_allows_input_version_k7" - "job_allows_input_version_k6" - "job_allows_input_version_k5" - "job_allows_input_version_k4" -#else - popmenu marc_version_run_pm -#endif - } - -# see also job_common.ms -# see also the RUN JOB popmenu in this file - - label { - position +14 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" -#ifdef QT_MENTAT - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" -#else - popmenu marc_input_style_run_adv_pm -#endif - help job_option_input_style - } - - toggle { - position 0 +4 - size 48 4 - text "EXTENDED PRECISION" - help job_run_precision - toggle "*job_option inp_file_prec:extended" - true_command "*job_option inp_file_prec:extended" - false_command "*job_option inp_file_prec:normal" - } - } - } - - button { - position 1 +14 - size 24 4 - text "SCRATCH DIRECTORY" - settext $directory_browser_label "JOB SCRATCH DIRECTORY" - set $directory_browser_command "*job_scratch_directory" -#ifdef QT_MENTAT - browser directory_browser -#else - popmenu directory_browser_popmenu -#endif - help job_scratch_directory - } - - button { - position +24 = - size 24 4 - text "CLEAR" - command "*job_clear_scratch_directory" - visible job_scratch_directory - } - - text { - position 1 +4 - size 48 4 - display job_scratch_dir - command "*job_scratch_directory" - } - -#ifdef DCOM - toggle { - position 1 +6 - size 8 4 - text "\{DCOM}" - toggle "*job_option dcom:on" - help job_run_dcom - true_command "*job_option dcom:on" - false_command "*job_option dcom:off" - visible win32_available - } - - button { - position +8 = - size 12 4 - text "HOSTNAME" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } - - text job_dcom_hostname { - position +12 = - size 28 4 - display "job_dcom_hostname" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } -#endif - - button { - position 1 +6 - size 24 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - - button { - position +24 = - size 24 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position +4 +6 - size 20 4 - text "WRITE INPUT FILE" - command "*job_write_input" - } - - button { - position = +4 - size 20 4 - text "EDIT INPUT FILE" - command "*job_edit_input" - } - - popdown { - position 1 +5 - size 20 6 - text "SUBMIT 1" - command "*submit_job 1 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 1" - command "*execute_job 1 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 2" - command "*submit_job 2 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 2" - command "*execute_job 2 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 3" - command "*submit_job 3 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 3" - command "*execute_job 3 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } - -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_exit_msg_pm { - -#ifdef QT_MENTAT - text "EXIT MESSAGE" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 86 4 - text "EXIT MESSAGE" - } - - display { - position 1 5 - size 84 74 - display "job_exit_msg" - } -#endif - -#ifdef QT_MENTAT - - text { - position 1 5 - size 84 74 - multiline - readonly - display "job_exit_msg" - } - -#endif - popdown { - position 37 +76 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 86 90 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_user_source_pm { - - window { - parent job_run_wi - origin 25 17 - size 26 17 - border_width 1 - border_color border - background_color body - } - mode dialog - - group job_user_source_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_user_source_gr { - popdown { - position 0 0 - size 26 4 - text "COMPILE / NO SAVE" - command "*job_option user_source:compile_nosave" - } - - popdown { - position = +4 - size 26 4 - text "COMPILE AND SAVE" - command "*job_option user_source:compile_save" - } - - popdown { - position = +4 - size 26 4 - text "RUN SAVED EXECUTABLE" - command "*job_option user_source:run_saved" - } - - popdown { - position = +5 - size 26 4 - text "CANCEL" - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_parallelization_pm { - -#ifdef QT_MENTAT - text "PARALLELIZATION/\{GPU}" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 60 4 - text "PARALLELIZATION/GPU" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - frame { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 48 28 - group job_ddm_gr - text "DOMAIN DECOMPOSITION" - border_width 1 - border_color black - } - - frame { - position 1 +29 - size 36 13 - group job_assem_recov_gr - text "ASSEMBLY AND RECOVERY" - border_width 1 - border_color black - } - - frame { - position 1 +14 - size 58 31 - group job_parallel_matrix_solver_gr - text "MATRIX SOLVER" - border_width 1 - border_color black - } - - frame { - position 1 +32 - size 48 28 - group job_parallel_env_gr - text "PARALLELIZATION ENVIRONMENT" - border_width 1 - border_color black - visible "or(*job_option parallel:on, \ - solver_multi_procs)" - } - - popdown { - position 24 +30 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 1 - size 60 119 - background_color body - border_width 1 - border_color border - buffering single - } -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_gr { - - toggle { - position 1 4 - size 30 4 - text "USE \{DDM}" - toggle "*job_option parallel:on" - help job_run_ddm_use - true_command "*job_option parallel:on" - false_command "*job_option parallel:off" - active "not(job_solver_it_ext)" - } - - frame { - position +2 +5 - size 44 18 - group job_ddm_use_gr - visible "*job_option parallel:on" - } -} - -group job_ddm_use_gr { - roller { - position 0 0 - size 30 4 - nvalues 2 - texts "DECOMPOSITION IN MARC" - "DECOMPOSITION IN MENTAT" - roller "job_option ddm_generator" -#ifdef QT_MENTAT - commands "*job_option ddm_generator:fea_solver" - "*job_option ddm_generator:preprocessor" -#else - popmenu job_ddm_generator_pm -#endif - help job_run_ddm_generator - } - - frame { - position 0 +5 - size 44 8 - group job_ddm_fea_solver_gr - visible "*job_option ddm_generator:fea_solver" - } - - frame { - position = = - size 44 8 - group job_ddm_preprocessor_gr - visible "*job_option ddm_generator:preprocessor" - } - - text { - position 0 +9 - size 22 4 -#ifdef QT_MENTAT - text "Single Input File" -#else - text "SINGLE INPUT FILE" -#endif - readonly - visible "*job_option ddm_generator:fea_solver" - } - - roller { - position = = - size 22 4 - nvalues 2 - texts "MULTIPLE INPUT FILES" - "SINGLE INPUT FILE" - roller "job_option ddm_single_input" - commands "*job_option ddm_single_input:off" - "*job_option ddm_single_input:on" - visible "*job_option ddm_generator:preprocessor" - help job_run_ddm_single_input - } - - roller { - position +23 = - size 21 4 - nvalues 2 - texts "MULTIPLE POST FILES" - "SINGLE POST FILE" - roller "job_option ddm_single_post" - commands "*job_option ddm_single_post:off" - "*job_option ddm_single_post:on" - help job_run_ddm_single_post - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_generator_pm { - - window { - parent mentat - origin 42 19 - size 30 13 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_generator_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_generator_gr { - - popdown { - position 0 0 - size 30 4 - text "DECOMPOSITION IN MARC" - command "*job_option ddm_generator:fea_solver" - help job_run_ddm_generator - } - - popdown { - position = +4 - size 30 4 - text "DECOMPOSITION IN MENTAT" - command "*job_option ddm_generator:preprocessor" - help job_run_ddm_generator - } - - popdown { - position = +5 - size 30 4 - text "CANCEL" - help job_run_ddm_generator - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_fea_solver_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 10 4 - text "# DOMAINS" - help job_param - } -#else - button { - position 0 0 - size 10 4 - text "# DOMAINS" - command "*job_param ndomains" - } -#endif - - text { - position +10 = - size 4 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position +4 = - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#ifdef QT_MENTAT - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#else - popmenu job_ddm_method_pm -#endif - } - - button { - position +4 +4 - size 19 4 - text "ADVANCED SETTINGS" -#ifdef QT_MENTAT - popmenu job_ddm_fea_solver_pm -#else - screen job_ddm_fea_solver_sc - command "@popdown($popname2) @popdown($popname1)" ($popname2, $popname1) -#endif - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_method_pm { - - window { - parent mentat - origin 56 24 - size 30 33 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_method_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_method_gr { - - popdown { - position 0 0 - size 30 4 - text "METIS BEST" - command "*job_option ddm_method:metis_best" - } - - popdown { - position = +4 - size 30 4 - text "METIS ELEMENT BASED" - command "*job_option ddm_method:metis_element_based" - } - - popdown { - position = +4 - size 30 4 - text "METIS NODE BASED" - command "*job_option ddm_method:metis_node_based" - } - - popdown { - position = +4 - size 30 4 - text "RECURSIVE COORDINATE BISECTION" - command "*job_option ddm_method:recur_coord_bisect" - } - - popdown { - position = +4 - size 30 4 - text "VECTOR" - command "*job_option ddm_method:vector" - } - - popdown { - position = +4 - size 30 4 - text "RADIAL" - command "*job_option ddm_method:radial" - } - - popdown { - position = +4 - size 30 4 - text "ANGULAR" - command "*job_option ddm_method:angular" - } - - popdown { - position = +5 - size 30 4 - text "CANCEL" - } -} -#endif - - -#ifdef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_fea_solver_pm { - - text "JOB PARALLELIZATION" -#else -screen job_ddm_fea_solver_sc { - - menu { -#endif - - group { - units 32 120 - -#ifndef QT_MENTAT - label { - position 0 0 - size 32 4 - text "JOB PARALLELIZATION" - } -#endif - - label { - position 0 5 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - -#ifdef QT_MENTAT - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - frame { - -#ifdef QT_MENTAT - position 0 +9 -#else - position 0 +5 -#endif - size 32 76 - text "ADVANCED DECOMPOSITION IN MARC" - border_width 1 - border_color black - - group { - -#ifdef QT_MENTAT - label { - position 1 4 - size 16 4 - text "# DOMAINS" - help job_param - } -#else - button { - position 1 4 - size 16 4 - text "# DOMAINS" - command "*job_param ndomains" - } -#endif - - text { - position +16 = - size 14 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position 1 +4 - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#ifdef QT_MENTAT - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#else - popmenu job_ddm_method2_pm -#endif - } - - frame { - position 1 +5 - size 30 20 - group job_ddm_direction_gr - visible "or(*job_option ddm_method:vector, \ - *job_option ddm_method:radial, \ - *job_option ddm_method:angular)" - } - - toggle { - position 1 +21 - size 30 4 - text "DOMAIN ISLAND REMOVAL" - toggle "*job_option ddm_island_removal:on" - true_command "*job_option ddm_island_removal:on" - false_command "*job_option ddm_island_removal:off" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "GRAPH" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "COARSE" - "FINE" - help ddm_decomp_coarse_graph - rollers "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - commands "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "QUADRATIC ELEMENTS" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "GENUINE" - "LINEARIZED" - help job_run_ddm_decomp_linearized - rollers "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - commands "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - } - -#ifdef QT_MENTAT - label { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - help job_param - } -#else - button { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } -#endif - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_elem_weight_factor" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } - - toggle { - position 1 +5 - size 30 4 - text "DETECT CONTACT" - toggle "*job_option ddm_detect_contact:on" - true_command "*job_option ddm_detect_contact:on" - false_command "*job_option ddm_detect_contact:off" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - help job_run_ddm_decomp_detect_contact - } - -#ifdef QT_MENTAT - label { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - visible "*job_option ddm_detect_contact:on" - } -#else - button { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } -#endif - - text { - position +15 = - size 15 4 - command "*set_ddm_contact_tolerance" - display "job_param_value_ddm_contact_tolerance" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } - -#ifdef QT_MENTAT - label { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - visible "*job_option ddm_detect_contact:on" - } -#else - button { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } -#endif - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_contact_constr_factor" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } - } - } - -#ifdef QT_MENTAT - popdown { - position 0 +77 - size 32 8 - text "OK" - } -#else - frame { - position 0 +77 - size 32 8 - group ok2_gr - } - - frame select_frame - frame inactive_return -#endif - } -#ifndef QT_MENTAT - window main_window - disable_right_mouse_button - } - - menu transform -} # job_ddm_fea_solver_sc -#else - mode permanent -} # job_ddm_fea_solver_pm -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_method2_pm { - - window { - parent mentat - origin 1 22 - size 30 33 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_method_gr -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_direction_gr { - - button { - position 0 0 - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "*job_option ddm_method:vector" - } - - button { - position = = - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "not(*job_option ddm_method:vector)" - } - - button { - position +15 = - size 15 4 - text "FROM / TO" - command "*job_vector_from_to ddm_sort_direction_x" - } - - text { - position -15 +4 - size 10 4 - command "*job_param ddm_sort_direction_x" - display "job_param_value_ddm_sort_direction_x" - help ddm_job_decomp_user_direction_x - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_y" - display "job_param_value_ddm_sort_direction_y" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_z" - display "job_param_value_ddm_sort_direction_z" - } - - frame { - position 0 +4 - size 30 8 - group job_ddm_sort_point_gr - visible "not(*job_option ddm_method:vector)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_gr { - - label { - position 0 0 - size 14 4 - border_width 1 - border_color black - text "POINT ON AXIS" - } - - roller { - position +14 = - size 10 4 - nvalues 2 - texts "DEFAULT" - "USER" - roller "job_option ddm_sort_point" -#ifdef QT_MENTAT - commands "*job_option ddm_sort_point:default" - "*job_option ddm_sort_point:user" -#else - popmenu job_ddm_sort_point_meth_pm -#endif - } - - button { - position +10 = - size 6 4 - text "SET" - command "*job_position ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position 0 +4 - size 10 4 - command "*job_param ddm_sort_point_x" - display "job_param_value_ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_y" - display "job_param_value_ddm_sort_point_y" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_z" - display "job_param_value_ddm_sort_point_z" - visible "*job_option ddm_sort_point:user" - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_sort_point_meth_pm { - - window { - parent mentat - origin 15 35 - size 14 13 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_sort_point_meth_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_meth_gr { - - popdown { - position 0 0 - size 14 4 - text "DEFAULT" - command "*job_option ddm_sort_point:default" - } - - popdown { - position = +4 - size 14 4 - text "USER DEFINED" - command "*job_option ddm_sort_point:user" - } - - popdown { - position = +5 - size 14 4 - text "CANCEL" - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_preprocessor_gr { - - label { - position 0 0 - size 10 4 - text "# DOMAINS" - border_width 1 - border_color black - } - - integer { - position +10 = - size 4 4 - display valid_domains - } - - button { - position +4 = - size 30 4 - text "USER DOMAINS" -#ifdef QT_MENTAT - popmenu domains_pm -#else - screen job_ddm_user_domains_sc - command "@popdown($popname2) @popdown($popname1)" ($popname2, $popname1) -#endif - help job_run_ddm_user_domains - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -screen job_ddm_user_domains_sc { - - menu { - - group { - units 32 120 - - label { - position 0 0 - size 32 4 - text "USER DOMAINS" - } - - frame { - position 0 5 - size 32 28 - group user_domains_gr - } - - frame { - position 0 +29 - size 32 49 - group user_domains_generate_gr - } - - frame { - position 0 +50 - size 32 8 - group user_domains_tail_gr - } - - frame { - position 0 92 - size 32 8 - group ok2_gr - } - - frame select_frame - frame inactive_return - } - window main_window - disable_right_mouse_button - - } - - menu transform - -} # job_ddm_user_domains_sc -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_assem_recov_gr { - - toggle { - position 1 +4 - size 30 4 - text "MULTIPLE THREADS" - true_command "*job_option assem_recov_multi_threading:on" - false_command "*job_option assem_recov_multi_threading:off" - toggle "*job_option assem_recov_multi_threading:on" - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 12 4 - text "# THREADS" - visible "*job_option assem_recov_multi_threading:on" - } -#else - button { - position +2 +4 - size 12 4 - text "# THREADS" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } -#endif - - text { - position +12 = - size 4 4 - display "job_param_value_assem_recov_nthreads" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } - - label { - position +4 = - size 12 4 - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 = - size 4 4 - display "job_assem_recov_nthreads_dom" - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_matrix_solver_gr { - - label { - position 3 4 - size 12 4 - text "SOLUTION" - border_width 1 - border_color black - } - - roller { - position +12 = - size 18 4 - nvalues 2 - texts "SYMMETRIC" - "NONSYMMETRIC" - rollers job_nonsym_off - job_nonsym_on - commands "*job_option solver_nonsym:off" - "*job_option solver_nonsym:on" - help job_param_solver_method - } - - label { - position -12 +4 - size 6 4 - text "TYPE" - border_width 1 - border_color black - } - - roller { - position +6 = - size 24 4 - nvalues 9 - help job_param_solver_method - texts "MULTIFRONTAL SPARSE" - "MIXED DIRECT-ITERATIVE" - "CASI ITERATIVE" - "PARDISO DIRECT SPARSE" - "MUMPS PARALLEL DIRECT" - "HARDWARE SPARSE" - "ITERATIVE SPARSE" - "DIRECT PROFILE" - "DIRECT SPARSE" - rollers job_solver_mfront_sparse - job_solver_mixed_direct_iterative - job_solver_it_ext - job_solver_pardiso - job_solver_mumps - job_solver_sparse - job_solver_it_sparse - job_solver_dir_profile - job_solver_dir_sparse -#ifdef QT_MENTAT - commands "*job_option solver:mfront_sparse" - "*job_option solver:mixed_direct_iterative" - "*job_option solver:it_ext" - "*job_option solver:pardiso" - "*job_option solver:mumps" - "*job_option solver:sparse" - "*job_option solver:it_sparse" - "*job_option solver:dir_profile" - "*job_option solver:dir_sparse" - visibles job_allows_solver_mfront_sparse - job_allows_solver_mixed_direct_iterative - job_allows_solver_it_ext - job_allows_solver_pardiso - job_allows_solver_mumps - job_allows_solver_sparse - job_allows_solver_it_sparse - job_allows_solver_dir_profile - job_allows_solver_dir_sparse - help job_param_solver_method -#else - popmenu job_set_parallel_matrix_solver_pm -#endif - } - - button { - position +24 = - size 10 4 - text "OPTIONS" - popmenu job_parallel_matrix_solver_opt_pm - } - - frame { - position +10 = - size 14 4 - group job_run_solver_ddm_opts_gr - visible "*job_option parallel:on" - } - - frame { - position 1 +5 - size 46 8 - group job_solver_multi_procs_gr - visible solver_allows_multi_procs - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_gr - visible solver_allows_multi_threads - } - - frame { - position 1 +9 - size 46 8 - group job_solver_gpu_gr - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_set_parallel_matrix_solver_pm { - window { - parent mentat - origin 48 61 - size 24 42 - border_width 1 - border_color border - background_color body - } - mode dialog - - group job_solver_gr -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_parallel_matrix_solver_opt_pm { - -#ifdef QT_MENTAT - text "MATRIX SOLVER OPTIONS" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 38 4 - text "MATRIX SOLVER OPTIONS" - } -#endif - - frame { - position 1 5 - size 36 23 - group job_solver_opts_gr - } - - popdown { - position 13 +25 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 41 12 - size 38 39 - border_width 1 - border_color border - background_color body - } - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -group job_run_solver_ddm_opts_gr { - - button { - position 0 0 - size 14 4 - text "\{DDM} OPTIONS" - popmenu ddm_options -# see also job_common.ms! - visible "not(or(job_solver_it_sparse, \ - job_solver_it_ext, \ - job_solver_mixed_direct_iterative, \ - job_solver_pardiso, \ - job_solver_mumps))" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_procs_parallel_off_gr - visible "*job_option parallel:off" - } - - frame { - position = = - size 46 8 - group job_solver_multi_procs_parallel_on_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - true_command "*job_option nsolver_procs_serial:on" - false_command "*job_option nsolver_procs_serial:off" - toggle "*job_option nsolver_procs_serial:on" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - visible "*job_option nsolver_procs_serial:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# PROCESSES" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - border_width 1 - border_color black - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - help job_run_multithreading - rollers "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_nsolver_procs_ddm_automatic_gr - visible "*job_option nsolver_procs_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_nsolver_procs_ddm_user_gr - visible "*job_option nsolver_procs_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nsolver_procs" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - } -} - -group job_solver_multi_threads_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_threads_mfront_sparse_parallel_off_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_mfront_sparse_parallel_on_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:on)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_off_gr - visible "and(job_solver_pardiso,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_on_gr - visible "and(job_solver_pardiso,*job_option parallel:on)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_it_ext_off_gr - visible "and(job_solver_it_ext,*job_option parallel:off)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option mfront_sparse_multi_threading:on" - true_command "*job_option mfront_sparse_multi_threading:on" - false_command "*job_option mfront_sparse_multi_threading:off" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option mfront_sparse_multi_threading:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# THREADS" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +30 0 - size 12 4 - visible "and( not(*job_option ddm_precond:direct)\ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 0 - size 4 4 - display "job_mfront_sparse_nthreads_dom" - visible "and( not(*job_option ddm_precond:direct)\ - *job_option parallel:on)" - } - - label { - position 2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option mfront_sparse_multi_threading_ddm:automatic" - "*job_option mfront_sparse_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option mfront_sparse_multi_threading_ddm:automatic" - "*job_option mfront_sparse_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_mfront_sparse_multi_threads_ddm_automatic_gr - visible "*job_option mfront_sparse_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_mfront_sparse_multi_threads_ddm_user_gr - visible "*job_option mfront_sparse_multi_threading_ddm:user" - } -} -#-------------------------------------------------------------------------------------------------- -group job_mfront_sparse_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_mfront_sparse_multi_threads_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nthreads" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - - - -#-------------------------------------------------------------------------------------------------- -group job_solver_gpu_gr { - - toggle { - position 0 0 - size 30 4 - text "USE \{GPU(s)}" - toggle "*job_option solver_use_gpu:on" - true_command "*job_option solver_use_gpu:on" - false_command "*job_option solver_use_gpu:off" - help job_solver_gpu - } - - label { - position +2 +4 - size 16 4 - text "\{GPU} SELECTION" - border_width 1 - border_color black - visible "*job_option solver_use_gpu:on" - } - - roller { - position +16 = - size 12 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - rollers "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - visible "*job_option solver_use_gpu:on" - help job_solver_gpu - } - - text { - position +12 = - size 16 4 - display job_solver_gpus - command "*clear_job_solver_gpus *job_solver_gpus" - visible "and(*job_option solver_use_gpu:on,*job_option solver_gpus:user)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option pardiso_multi_threading:on" - true_command "*job_option pardiso_multi_threading:on" - false_command "*job_option pardiso_multi_threading:off" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option pardiso_multi_threading:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# THREADS" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_pardiso_multi_threads_ddm_automatic_gr - visible "*job_option pardiso_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_pardiso_multi_threads_ddm_user_gr - visible "*job_option pardiso_multi_threading_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nthreads" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_it_ext_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option it_ext_multi_threading:on" - true_command "*job_option it_ext_multi_threading:on" - false_command "*job_option it_ext_multi_threading:off" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option it_ext_multi_threading:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option it_ext_multi_threading:on" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_gr { - - roller { - position 1 4 - size 30 4 - nvalues 2 - texts "SINGLE MACHINE" - "NETWORK" - help job_run_ddm_setup - roller "job_option parallel_setup" - commands "*job_option parallel_setup:single" - "*job_option parallel_setup:network" - } - - frame { - position +2 +5 - size 44 18 - group job_parallel_env_network_gr - visible "*job_option parallel_setup:network" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_gr { - - button { - position 0 0 - size 28 4 - text "HOST FILE" -#ifdef QT_MENTAT - browser host_file_browser -#else - popmenu host_file_browser_pm -#endif - settext $host_file_browser_label "SELECT HOST FILE" - set $host_file_browser_command "*job_host_file" - help job_host_file - } - - button { - position +28 = - size 8 4 - text "EDIT" - command "*job_edit_host_file" - help job_edit_host_file - visible job_host_file - } - - button { - position +8 = - size 8 4 - text "CLEAR" - command "*job_clear_host_file" - help job_clear_host_file - visible job_host_file - } - - display { - position 0 +4 - size 44 4 - display job_host_file - } - - frame { - position 0 +5 - size 44 9 - group job_parallel_env_network_ddm_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_ddm_gr { - - toggle { - position 0 0 - size 22 4 - text "COPY INPUT FILE" - toggle "*job_option copy_input_file:on" - true_command "*job_option copy_input_file:on" - false_command "*job_option copy_input_file:off" - help job_host_copy_inputfile - } - - toggle { - position +23 = - size 21 4 - text "COPY POST FILE" - toggle "*job_option copy_post_file:on" - true_command "*job_option copy_post_file:on" - false_command "*job_option copy_post_file:off" - help job_host_copy_inputfile - } - - label { - position 0 +5 - size 10 4 - text "HOSTS" - border_width 1 - border_color black - visible job_usersub_file - } - - roller { - position +10 = - size 18 4 - nvalues 2 - texts "COMPATIBLE" - "INCOMPATIBLE" - roller "job_option network_hosts" - commands "*job_option network_hosts:compatible" - "*job_option network_hosts:incompatible" - help job_host_comp - visible job_usersub_file - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu marc_integer_size_pm { - - window { - parent mentat - origin 55 32 - size 32 17 - border_width 1 - border_color border - background_color body - } - mode dialog - - group marc_integer_size_gr -} - - -#-------------------------------------------------------------------------------------------------- -group marc_integer_size_gr { - - popdown { - position 0 0 - size 32 4 - text "DEFAULT" - command "*job_option marc_integer_size:default" - help job_run_intsize - } - - popdown { - position = +4 - size 32 4 - text "4-BYTE INTEGERS" - command "*job_option marc_integer_size:i4" - help job_run_intsize - } - - popdown { - position = +4 - size 32 4 - text "8-BYTE INTEGERS" - command "*job_option marc_integer_size:i8" - help job_run_intsize - } - - popdown { - position = +5 - size 32 4 - text "CANCEL" - help job_run_intsize - } -} -#endif -#endif diff --git a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask b/installation/mods_MarcMentat/2014/Marc_tools/comp_damask deleted file mode 100644 index 2d144b8a4..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_h b/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_h deleted file mode 100644 index 01464f095..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_h +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_hmp b/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_hmp deleted file mode 100644 index 36ced6543..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_hmp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_l b/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_l deleted file mode 100644 index 31b5cd175..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_l +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_lmp b/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_lmp deleted file mode 100644 index 8a0c1255d..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_lmp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRANLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_mp b/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_mp deleted file mode 100644 index 986d9ae04..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/comp_damask_mp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2014/Marc_tools/comp_user.original b/installation/mods_MarcMentat/2014/Marc_tools/comp_user.original deleted file mode 100644 index 8679bb041..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/comp_user.original +++ /dev/null @@ -1,41 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user.f on host `hostname`" -echo "program: $program" - $FORTRAN $user.f || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$user.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS || \ - { - echo "$0: link failed for $user.o on host `hostname`" - exit 1 - } - /bin/rm $userobj diff --git a/installation/mods_MarcMentat/2014/Marc_tools/include_linux64 b/installation/mods_MarcMentat/2014/Marc_tools/include_linux64 deleted file mode 100644 index e67f8158e..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/include_linux64 +++ /dev/null @@ -1,742 +0,0 @@ -# -# General definitions for the Marc 2014 version -# -# EM64T -# ( LP64 - i4 version) -# (ILP64 - i8 version) -# -# Linux RedHat 5.7 -# -# 64 bit MPI version -# -# Intel(R) Fortran Compiler -# Version 13.0.1 -# -# Intel(R) C Compiler -# Version 13.0.1 -# -# MKL Libraries: -# Intel(R) MKL 10.3 -# -# DATE -# -# To check the O/S level, type: -# uname -a -# -# Distributed parallel MPI libraries: -# 1) HP MPI 2.3 -# To check the mpi version, type: -# mpirun -version -# 2) Intel MPI 4.0 -# To check the mpi version, type: -# mpirun -version -# -# To check the Compiler level, type using the compiler -# installation path: -# ifort -V -# icc -V -# -# REMARKS : This file contains the definitions of variables used during -# compilation loading and use of the MARC programmes . The -# current machine type is identified by means of the variable -# MACHINE , defined below. -# -# -# MPI_ROOT: root directory in which mpi shared libraries, etc. are located -# DIRJOB : directory in which spawned jobs should look for Marc input -# MPI_ARCH: system architecture -# MPI_EPATH: path where executable resides -# - -REVISION="VERSION, BUILD" -HOSTNAME=`hostname` - -# find available memory in Mbyte on the machine -# can be set explicitly -MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'` - -# set _OEM_NASTRAN to 1 for MD Nastran build -# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable -_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}" - -# uncomment the following line for an autoforge build -#AUTOFORGE=1 -AUTOFORGE=0 -export AUTOFORGE - -# integer size -if test "$MARC_INTEGER_SIZE" = "" ; then - INTEGER_PATH= -else - INTEGER_PATH=/$MARC_INTEGER_SIZE -fi - -FCOMP=ifort - -# -# settings for Metis -# -METIS="-I$METIS_SOURCE" -METISLIBS="$MARC_LIB/metis.a " - -# -# settings for MPI -# -# RCP and RSH are used for parallel network runs -# replace with similar commands like rsh if needed -RCP=/usr/bin/scp -RSH=/usr/bin/ssh -# - - -MPI_DEFAULT=intelmpi -MPI_OTHER=hpmpi - -MPITYPE=$MPI_DEFAULT - -if test $AUTOFORGE -then - if test $AUTOFORGE = 1 - then - MPITYPE=none - fi -fi - - -# overrule MPITYPE setting with environmental variable MARC_MPITYPE -if test $MARC_MPITYPE -then - MPITYPE=$MARC_MPITYPE -fi - -# always set MPITYPE to none for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - MPITYPE=none -fi - -# Edit following lines to build with GPGPU version of BCS Solver for -# NVIDIA platforms -#BCSGPUSOLVER=NONE -BCSGPUSOLVER=BCSGPU - -SOLVERFLAGS= -if test "$BCSGPUSOLVER" = BCSGPU -then - SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA" - BCS_DIR=bcsgpusolver - export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH - export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH -else - BCS_DIR=bcssolver -fi -# -# settings for MPI -# -DDM= -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - FCOMPMPI=mpif90 - export MPI_ROOT=$MARC_HPMPI - export MPI_REMSH=$RSH - export MPI_F77=$FCOMP - ARCHITECTURE=linux_amd64 - DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI" - MPI_CLEAN= - export MPI_EPATH=$MARC_BIN - export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH - export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1" -# Below line is moved in run_marc file -# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN" - if test -n "$MSC_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE" - fi - if test -n "$LM_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE" - fi - export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x" - RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f " - RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np " - RUN_JOB0= - fi - if test $MPITYPE = intelmpi - then - INTELMPI_VERSION=HYDRA - FCOMPMPI=mpiifort - MPI_ROOT=$MARC_INTELMPI - DDM="-I${MPI_ROOT}/include64 -DDDM" - PATH=$MPI_ROOT/bin64:$PATH - export PATH - LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - if test $INTELMPI_VERSION = HYDRA - then - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall" - else - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile " - fi - RUN_JOB0= - MPI_CLEAN= - MPI_EPATH=$MARC_BIN - MPIR_HOME=$MPI_ROOT - MPICH_F77=$FCOMP - MPICH_F77LINKER=$FCOMP - export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER - I_MPI_PIN_DOMAIN=node - export I_MPI_PIN_DOMAIN - fi -else - MPI_ROOT=$MARC_DUMMYMPI - export MPI_ROOT=$MARC_DUMMYMPI - DDM="-I$MPI_ROOT/include" -fi - -# -# variables for the "maintain" script -# - -MACHINENAME=LINUX -MACHINE64BIT=yes -MACHINE=Linux_EM64T -DEV=/dev/tape -GETLOG="whoami" -CLEAR="clear" -MY_UNAME=`uname -a` - -# Edit following 2 lines to build with VKI Solver -#VKISOLVER=VKI -VKISOLVER=NONE - -# Edit following 2 lines to build with CASI Solver -CASISOLVER=CASI -#CASISOLVER=NONE - -# Edit following 2 lines to build with MF2 Solver -MF2SOLVER=NONE -#MF2SOLVER=SERIAL -#MF2SOLVER=MF2PARALLEL - -# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO) -#INTELSOLVER=NONE -INTELSOLVER=PARDISO - -# Edit following lines to build with MUMPS -if test "$MARC_INTEGER_SIZE" = "i4" ; then - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -else - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -fi - -# Edit following 2 lines to build MARC dynamic shared library -MARC_DLL=MARC_DLL -MARC_DLL=NONE - -# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - VKISOLVER=NONE - CASISOLVER=NONE - MF2SOLVER=NONE - INTELSOLVER=NONE - MUMPSSOLVER=NONE - BCSGPUSOLVER=NONE - MARC_DLL=NONE -fi - -# -# define Fortran and C compile syntax -# -if test "$VKISOLVER" = VKI -then - SOLVERFLAGS="$SOLVERFLAGS -DVKI" -fi - -if test "$CASISOLVER" = CASI -then - SOLVERFLAGS="$SOLVERFLAGS -DCASI" -fi - -if test "$MF2SOLVER" = MF2PARALLEL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL" -fi -if test "$MF2SOLVER" = MF2SERIAL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL" -fi - -if test "$INTELSOLVER" = PARDISO -then - SOLVERFLAGS="$SOLVERFLAGS -DPARDISO" -fi - -if test "$MUMPSSOLVER" = MUMPS -then - SOLVERFLAGS="$SOLVERFLAGS -DMUMPS" -fi - - -if test "$MARC_DLL" = MARC_DLL -then - SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL" -fi - -LINK_OPT= -DEBUG_OPT= -C_DEBUG_OPT= - -#Uncomment following line to build Marc in debuggable mode -MARCDEBUG= -#MARCDEBUG="ON" - -if test "$MARCDEBUG" = "ON" -then - LINK_OPT="-debug -traceback" - DEBUG_OPT="-debug -traceback" - C_DEBUG_OPT="-debug -traceback" -fi - - -MARCCHECK= -#MARCCHECK="ON" -if test "$MARCCHECK" = "ON" -then - DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv " - C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv " -fi - -MARCCODECOV= -#MARCCODECOV="ON" - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - I8FFLAGS="-real-size 64 -integer-size 32" - I8DEFINES="-DFLOAT=8 -DINT=4" - I8CDEFINES= - I8CASIDEFS= -else - I8FFLAGS="-i8 -real-size 64 -integer-size 64" - I8DEFINES="-DI64 -DFLOAT=8 -DINT=8" - I8CDEFINES="-U_DOUBLE -D_SINGLE" - I8CASIDEFS="-DCASI_64BIT_INT=1" -fi - -MTHREAD=OPENMP -if test "$MARC_OPENMP" = "NONE" ; then - MTHREAD=NONE -fi -#MTHREAD=NONE -if test "$_OEM_NASTRAN" -ne 0 -then -MTHREAD=NONE -fi - -OMP_COMPAT=NO -OMP_COMPAT=YES -if test "$MTHREAD" = "NONE" -then -OMP_COMPAT=NO -fi - -CDEFINES= -FDEFINES= - -if test "$_OEM_NASTRAN" -ne 0 -then - CDEFINES="$CDEFINES -D_OEM_NASTRAN" - FDEFINES="$FDEFINES -D_OEM_NASTRAN" -fi - -FDEFINES="$FDEFINES -D_IMPLICITNONE" - -if test "$_OEM_NASTRAN" -eq 0 -then - FDEFINES="$FDEFINES -DMKL -DOPENMP" -fi - -if test "$OMP_COMPAT" = "YES" -then - FDEFINES="$FDEFINES -DOMP_COMPAT" -fi - -# -D_MSCMARC -FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT" -CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES" - -CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS" -if test "$_OEM_NASTRAN" -ne 0 -then - CINCL="$CINCL -I../../include" -fi - -CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - -if test "$MARCDEBUG" = "ON" -then - CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -fi - -LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel" -CCT="$CC" -CCTLOW="$CCLOW" -CCTHIGH="$CCHIGH" - -CC_CASI="$CC -c99 $I8CASIDEFS" -CCLOW_CASI="$CCLOW -c99 $I8CASIDEFS" -CCHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS" - -CCT_CASI="$CCT -c99 $I8CASIDEFS" -CCTLOW_CASI="$CCLOW -c99 $I8CASIDEFS" -CCTHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS" - -#PROFILE="-Mprof=func" -#PROFILE="-Mprof=lines" -#PROFILE="-Mprof=func,mpi" -PROFILE= -if test "$MARCCODECOV" = "ON" -then -PROFILE="-prof-gen=srcpos" -fi - -FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB" -if test "$MTHREAD" = "OPENMP" -then - FORT_OPT=" $FORT_OPT -openmp" - if test "$OMP_COMPAT" = "YES" - then - FORT_OPT=" $FORT_OPT -openmp-threadprivate=compat" - fi -else -# FORT_OPT=" $FORT_OPT -auto " - FORT_OPT=" $FORT_OPT -save -zero" -fi - -FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - -# determine DAMASK version -HIT=0 -for arg in "$@" -do - if [ $HIT = 1 ] - then - DAMASKPATH=`dirname $arg` - break - elif [ ${arg:0:2} = -u -o ${arg:0:2} = -U ] - then - HIT=1 - fi -done -read DAMASKVERSION < $DAMASKPATH/../VERSION -DAMASKVERSION="'"$DAMASKVERSION"'" - -# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3 -DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - -if test "$MARCDEBUG" = "ON" -then - FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - -# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3 - DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2014 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - -fi - -FORTLOWT="$FORTLOW" -FORTRANT="$FORTRAN" -FORTHIGHT="$FORTHIGH" - -FORTRANMNF="$FCOMP -c $FDEFINES " -CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE" - -FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main" -CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include" - - -BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL" -NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES " -NVCCLIB="ar rvl" -NVCCLD=icc -BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORT90HIGH="$BCSFORTHIGH" -if test "$MARCDEBUG" = "ON" -then - BCSFORTRAN=$BCSFORTLOW - BCSFORTHIGH=$BCSFORTLOW - BCSFORT90HIGH=$BCSFORTLOW -fi - -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - fi -# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines -# if test $MPITYPE = intelmpi -# then -# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include" -# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# fi - if test $MPITYPE = intelmpi - then - LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - fi -else - LOAD="$FCOMP $LINK_OPT -o " - LOADT="$FCOMP $LINK_OPT -o " -fi - -if test "$MARC_DLL" = MARC_DLL -then - FORTLOW="$FORTLOW -fpp -fPIC" - FORTRAN="$FORTRAN -fpp -fPIC" - FORTHIGH="$FORTHIGH -fpp -fPIC" - FORTRANMNF="$FORTRANMNF -fpp -fPIC" - CC="$CC -fPIC" - CCMNF="$CCMNF -fPIC" - CC_CASI="$CC_CASI -fPIC" - CCLOW_CASI="$CCLOW_CASI -fPIC" - CCHIGH_CASI="$CCHIGH_CASI -fPIC" - LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread" - LINK_MARC_DLL="-shared -fPIC" - LOAD_DLL=$LOAD - LOADT_DLL=$LOADT - EXT_DLL="so" -fi - - -XLIBS="-L/usr/X11/lib -lX11 " - -# -# define archive and ranlib syntax -# - -ARC="ar rvl" -ARD="ar dvl" -ARX="ar xl" -RAN="" - -# -# choose which libraries you want to use ( e.g. blas ) -# - -if test "$VKISOLVER" = VKI -then - VKISOLVERLIBS="$MARC_LIB/vkisolver.a" -else - VKISOLVERLIBS= -fi - -if test "$CASISOLVER" = CASI -then - CASISOLVERLIBS="$MARC_LIB/casilib.a" -else - CASISOLVERLIBS= -fi - -MF2SOLVERLIBS= -if test "$MF2SOLVER" = MF2PARALLEL -then - MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \ - $MARC_LIB/mf2parallel/libsym.a \ - $MARC_LIB/mf2parallel/libmet.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libnum.a \ - $MARC_LIB/mf2parallel/libutl.a \ - $MARC_LIB/mf2parallel/libr8.a \ - $MARC_LIB/mf2parallel/libz.a " -fi - -if test "$INTELSOLVER" = PARDISO -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a" - else - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a" - fi -else - INTELSOLVERLIBS= -fi - -if test "$MUMPSSOLVER" = MUMPS -then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - if test $MPITYPE = none - then - MUMPSSOLVERLIBS2= - echo hello > /dev/null - fi - if test $MPITYPE = intelmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a " - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a " - fi - fi - if test $MPITYPE = hpmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a" - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a" - fi - fi -else - MUMPSSOLVERLIBS= - MUMPSSOLVERLIBS2= -fi - -if test "$BCSGPUSOLVER" = BCSGPU -then - BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a " - MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda " - MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda " - MARCCUDALIBS=$MARCCUDALIBS1 - CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda " -else - BCSSOLVERLIBS="${MARC_LIB}/bcslib.a " -fi - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group" -else - MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a -Wl,--end-group" -fi - -SECLIBS="-L$MARC_LIB -llapi" - -SOLVERLIBS="${BCSSOLVERLIBS} \ - ${INTELSOLVERLIBS} ${MF2SOLVERLIBS} -Wl,--start-group $MKLLIB ${MUMPSSOLVERLIBS2} \ - $MARC_MKL/libiomp5.a -Wl,--end-group \ - $MARC_LIB/blas_src.a ${VKISOLVERLIBS} ${CASISOLVERLIBS} " -SOLVERLIBS_DLL=${SOLVERLIBS} - -MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}" -MRCLIBSPAR="$MARC_LIB/clib.a" -STUBS="$MARC_LIB/stubs.a " -MNFLIBS="$MARC_LIB/libmnf.a" -MDUSER="$MARC_LIB/md_user.a" - -OPENMP="-openmp" - -SYSLIBS=" $OPENMP -lpthread " - -# Uncomment the following lines to turn on the trace and comment out the next 4 lines -# if test $MPITYPE = intelmpi -# then -# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \ -# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt" -# fi -if test $MPITYPE = intelmpi -then - SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -threads -lpthread" -fi - -SYSLIBSPAR=" " - -MARC_DLL_CODES="runmarc.f" - - -BLAS_SRC="dzero.f icopy.f izero.f" -if test "$_OEM_NASTRAN" -ne 0 -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f" - else - BLAS_SRC="ALL" - fi -fi - -LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \ - omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \ - elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \ - cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \ - inertie.f em_sso072.f cn_fol3d_qpatch6.f" -if test "$MARC_INTEGER_SIZE" = "i8" ; then - LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f" -fi -LOW_OPT_CODES_CASI="" - -HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \ - dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \ - dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f cn_qsort4_11.f " - - -HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c" - -MAXNUM=1000000 diff --git a/installation/mods_MarcMentat/2014/Marc_tools/include_linux64.original b/installation/mods_MarcMentat/2014/Marc_tools/include_linux64.original deleted file mode 100644 index c1bc09a3b..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/include_linux64.original +++ /dev/null @@ -1,679 +0,0 @@ -# -# General definitions for the Marc 2014 version -# -# EM64T -# ( LP64 - i4 version) -# (ILP64 - i8 version) -# -# Linux RedHat 5.7 -# -# 64 bit MPI version -# -# Intel(R) Fortran Compiler -# Version 13.0.1 -# -# Intel(R) C Compiler -# Version 13.0.1 -# -# MKL Libraries: -# Intel(R) MKL 10.3 -# -# DATE -# -# To check the O/S level, type: -# uname -a -# -# Distributed parallel MPI libraries: -# 1) HP MPI 2.3 -# To check the mpi version, type: -# mpirun -version -# 2) Intel MPI 4.0 -# To check the mpi version, type: -# mpirun -version -# -# To check the Compiler level, type using the compiler -# installation path: -# ifort -V -# icc -V -# -# REMARKS : This file contains the definitions of variables used during -# compilation loading and use of the MARC programmes . The -# current machine type is identified by means of the variable -# MACHINE , defined below. -# -# -# MPI_ROOT: root directory in which mpi shared libraries, etc. are located -# DIRJOB : directory in which spawned jobs should look for Marc input -# MPI_ARCH: system architecture -# MPI_EPATH: path where executable resides -# - -REVISION="VERSION, BUILD" -HOSTNAME=`hostname` - -# find available memory in Mbyte on the machine -# can be set explicitly -MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'` - -# set _OEM_NASTRAN to 1 for MD Nastran build -# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable -_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}" - -# uncomment the following line for an autoforge build -#AUTOFORGE=1 -AUTOFORGE=0 -export AUTOFORGE - -# integer size -if test "$MARC_INTEGER_SIZE" = "" ; then - INTEGER_PATH= -else - INTEGER_PATH=/$MARC_INTEGER_SIZE -fi - -FCOMP=ifort - -# -# settings for Metis -# -METIS="-I$METIS_SOURCE" -METISLIBS="$MARC_LIB/metis.a " - -# -# settings for MPI -# -# RCP and RSH are used for parallel network runs -# replace with similar commands like rsh if needed -RCP=/usr/bin/scp -RSH=/usr/bin/ssh -# - - -MPI_DEFAULT=intelmpi -MPI_OTHER=hpmpi - -MPITYPE=$MPI_DEFAULT - -if test $AUTOFORGE -then - if test $AUTOFORGE = 1 - then - MPITYPE=none - fi -fi - - -# overrule MPITYPE setting with environmental variable MARC_MPITYPE -if test $MARC_MPITYPE -then - MPITYPE=$MARC_MPITYPE -fi - -# always set MPITYPE to none for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - MPITYPE=none -fi - -# Edit following lines to build with GPGPU version of BCS Solver for -# NVIDIA platforms -#BCSGPUSOLVER=NONE -BCSGPUSOLVER=BCSGPU - -SOLVERFLAGS= -if test "$BCSGPUSOLVER" = BCSGPU -then - SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA" - BCS_DIR=bcsgpusolver - export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH - export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH -else - BCS_DIR=bcssolver -fi -# -# settings for MPI -# -DDM= -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - FCOMPMPI=mpif90 - export MPI_ROOT=$MARC_HPMPI - export MPI_REMSH=$RSH - export MPI_F77=$FCOMP - ARCHITECTURE=linux_amd64 - DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI" - MPI_CLEAN= - export MPI_EPATH=$MARC_BIN - export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH - export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1" -# Below line is moved in run_marc file -# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN" - if test -n "$MSC_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE" - fi - if test -n "$LM_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE" - fi - export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x" - RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f " - RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np " - RUN_JOB0= - fi - if test $MPITYPE = intelmpi - then - INTELMPI_VERSION=HYDRA - FCOMPMPI=mpiifort - MPI_ROOT=$MARC_INTELMPI - DDM="-I${MPI_ROOT}/include64 -DDDM" - PATH=$MPI_ROOT/bin64:$PATH - export PATH - LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - if test $INTELMPI_VERSION = HYDRA - then - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall" - else - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile " - fi - RUN_JOB0= - MPI_CLEAN= - MPI_EPATH=$MARC_BIN - MPIR_HOME=$MPI_ROOT - MPICH_F77=$FCOMP - MPICH_F77LINKER=$FCOMP - export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER - I_MPI_PIN_DOMAIN=node - export I_MPI_PIN_DOMAIN - fi -else - MPI_ROOT=$MARC_DUMMYMPI - export MPI_ROOT=$MARC_DUMMYMPI - DDM="-I$MPI_ROOT/include" -fi - -# -# variables for the "maintain" script -# - -MACHINENAME=LINUX -MACHINE64BIT=yes -MACHINE=Linux_EM64T -DEV=/dev/tape -GETLOG="whoami" -CLEAR="clear" -MY_UNAME=`uname -a` - -# Edit following 2 lines to build with VKI Solver -#VKISOLVER=VKI -VKISOLVER=NONE - -# Edit following 2 lines to build with CASI Solver -CASISOLVER=CASI -#CASISOLVER=NONE - -# Edit following 2 lines to build with MF2 Solver -MF2SOLVER=NONE -#MF2SOLVER=SERIAL -#MF2SOLVER=MF2PARALLEL - -# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO) -#INTELSOLVER=NONE -INTELSOLVER=PARDISO - -# Edit following lines to build with MUMPS -if test "$MARC_INTEGER_SIZE" = "i4" ; then - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -else - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -fi - -# Edit following 2 lines to build MARC dynamic shared library -MARC_DLL=MARC_DLL -MARC_DLL=NONE - -# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - VKISOLVER=NONE - CASISOLVER=NONE - MF2SOLVER=NONE - INTELSOLVER=NONE - MUMPSSOLVER=NONE - BCSGPUSOLVER=NONE - MARC_DLL=NONE -fi - -# -# define Fortran and C compile syntax -# -if test "$VKISOLVER" = VKI -then - SOLVERFLAGS="$SOLVERFLAGS -DVKI" -fi - -if test "$CASISOLVER" = CASI -then - SOLVERFLAGS="$SOLVERFLAGS -DCASI" -fi - -if test "$MF2SOLVER" = MF2PARALLEL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL" -fi -if test "$MF2SOLVER" = MF2SERIAL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL" -fi - -if test "$INTELSOLVER" = PARDISO -then - SOLVERFLAGS="$SOLVERFLAGS -DPARDISO" -fi - -if test "$MUMPSSOLVER" = MUMPS -then - SOLVERFLAGS="$SOLVERFLAGS -DMUMPS" -fi - - -if test "$MARC_DLL" = MARC_DLL -then - SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL" -fi - -LINK_OPT= -DEBUG_OPT= -C_DEBUG_OPT= - -#Uncomment following line to build Marc in debuggable mode -MARCDEBUG= -#MARCDEBUG="ON" - -if test "$MARCDEBUG" = "ON" -then - LINK_OPT="-debug -traceback" - DEBUG_OPT="-debug -traceback" - C_DEBUG_OPT="-debug -traceback" -fi - - -MARCCHECK= -#MARCCHECK="ON" -if test "$MARCCHECK" = "ON" -then - DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv " - C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv " -fi - -MARCCODECOV= -#MARCCODECOV="ON" - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - I8FFLAGS= - I8DEFINES= - I8CDEFINES= - I8CASIDEFS= -else - I8FFLAGS="-i8" - I8DEFINES="-DI64" - I8CDEFINES="-U_DOUBLE -D_SINGLE" - I8CASIDEFS="-DCASI_64BIT_INT=1" -fi - -MTHREAD=OPENMP -if test "$MARC_OPENMP" = "NONE" ; then - MTHREAD=NONE -fi -#MTHREAD=NONE -if test "$_OEM_NASTRAN" -ne 0 -then -MTHREAD=NONE -fi - -OMP_COMPAT=NO -OMP_COMPAT=YES -if test "$MTHREAD" = "NONE" -then -OMP_COMPAT=NO -fi - -CDEFINES= -FDEFINES= - -if test "$_OEM_NASTRAN" -ne 0 -then - CDEFINES="$CDEFINES -D_OEM_NASTRAN" - FDEFINES="$FDEFINES -D_OEM_NASTRAN" -fi - -FDEFINES="$FDEFINES -D_IMPLICITNONE" - -if test "$_OEM_NASTRAN" -eq 0 -then - FDEFINES="$FDEFINES -DMKL -DOPENMP" -fi - -if test "$OMP_COMPAT" = "YES" -then - FDEFINES="$FDEFINES -DOMP_COMPAT" -fi - -# -D_MSCMARC -FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT" -CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES" - -CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS" -if test "$_OEM_NASTRAN" -ne 0 -then - CINCL="$CINCL -I../../include" -fi - -CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - -if test "$MARCDEBUG" = "ON" -then - CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -fi - -LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel" -CCT="$CC" -CCTLOW="$CCLOW" -CCTHIGH="$CCHIGH" - -CC_CASI="$CC -c99 $I8CASIDEFS" -CCLOW_CASI="$CCLOW -c99 $I8CASIDEFS" -CCHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS" - -CCT_CASI="$CCT -c99 $I8CASIDEFS" -CCTLOW_CASI="$CCLOW -c99 $I8CASIDEFS" -CCTHIGH_CASI="$CCHIGH -c99 $I8CASIDEFS" - -#PROFILE="-Mprof=func" -#PROFILE="-Mprof=lines" -#PROFILE="-Mprof=func,mpi" -PROFILE= -if test "$MARCCODECOV" = "ON" -then -PROFILE="-prof-gen=srcpos" -fi - -FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB" -if test "$MTHREAD" = "OPENMP" -then - FORT_OPT=" $FORT_OPT -openmp" - if test "$OMP_COMPAT" = "YES" - then - FORT_OPT=" $FORT_OPT -openmp-threadprivate=compat" - fi -else -# FORT_OPT=" $FORT_OPT -auto " - FORT_OPT=" $FORT_OPT -save -zero" -fi - -FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - -if test "$MARCDEBUG" = "ON" -then - FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" -fi - -FORTLOWT="$FORTLOW" -FORTRANT="$FORTRAN" -FORTHIGHT="$FORTHIGH" - -FORTRANMNF="$FCOMP -c $FDEFINES " -CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE" - -FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main" -CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include" - - -BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL" -NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES " -NVCCLIB="ar rvl" -NVCCLD=icc -BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORT90HIGH="$BCSFORTHIGH" -if test "$MARCDEBUG" = "ON" -then - BCSFORTRAN=$BCSFORTLOW - BCSFORTHIGH=$BCSFORTLOW - BCSFORT90HIGH=$BCSFORTLOW -fi - -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - fi -# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines -# if test $MPITYPE = intelmpi -# then -# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include" -# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# fi - if test $MPITYPE = intelmpi - then - LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - fi -else - LOAD="$FCOMP $LINK_OPT -o " - LOADT="$FCOMP $LINK_OPT -o " -fi - -if test "$MARC_DLL" = MARC_DLL -then - FORTLOW="$FORTLOW -fpp -fPIC" - FORTRAN="$FORTRAN -fpp -fPIC" - FORTHIGH="$FORTHIGH -fpp -fPIC" - FORTRANMNF="$FORTRANMNF -fpp -fPIC" - CC="$CC -fPIC" - CCMNF="$CCMNF -fPIC" - CC_CASI="$CC_CASI -fPIC" - CCLOW_CASI="$CCLOW_CASI -fPIC" - CCHIGH_CASI="$CCHIGH_CASI -fPIC" - LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread" - LINK_MARC_DLL="-shared -fPIC" - LOAD_DLL=$LOAD - LOADT_DLL=$LOADT - EXT_DLL="so" -fi - - -XLIBS="-L/usr/X11/lib -lX11 " - -# -# define archive and ranlib syntax -# - -ARC="ar rvl" -ARD="ar dvl" -ARX="ar xl" -RAN="" - -# -# choose which libraries you want to use ( e.g. blas ) -# - -if test "$VKISOLVER" = VKI -then - VKISOLVERLIBS="$MARC_LIB/vkisolver.a" -else - VKISOLVERLIBS= -fi - -if test "$CASISOLVER" = CASI -then - CASISOLVERLIBS="$MARC_LIB/casilib.a" -else - CASISOLVERLIBS= -fi - -MF2SOLVERLIBS= -if test "$MF2SOLVER" = MF2PARALLEL -then - MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \ - $MARC_LIB/mf2parallel/libsym.a \ - $MARC_LIB/mf2parallel/libmet.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libnum.a \ - $MARC_LIB/mf2parallel/libutl.a \ - $MARC_LIB/mf2parallel/libr8.a \ - $MARC_LIB/mf2parallel/libz.a " -fi - -if test "$INTELSOLVER" = PARDISO -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a" - else - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a" - fi -else - INTELSOLVERLIBS= -fi - -if test "$MUMPSSOLVER" = MUMPS -then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - if test $MPITYPE = none - then - MUMPSSOLVERLIBS2= - echo hello > /dev/null - fi - if test $MPITYPE = intelmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a " - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a " - fi - fi - if test $MPITYPE = hpmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a" - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a" - fi - fi -else - MUMPSSOLVERLIBS= - MUMPSSOLVERLIBS2= -fi - -if test "$BCSGPUSOLVER" = BCSGPU -then - BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a " - MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda " - MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda " - MARCCUDALIBS=$MARCCUDALIBS1 - CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda " -else - BCSSOLVERLIBS="${MARC_LIB}/bcslib.a " -fi - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - MKLLIB="$MARC_MKL/libmkl_blacs_lp64.a $MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a " -else - MKLLIB="$MARC_MKL/libmkl_blacs_ilp64.a $MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a " -fi - -SECLIBS="-L$MARC_LIB -llapi" - -SOLVERLIBS="${BCSSOLVERLIBS} \ - ${INTELSOLVERLIBS} ${MF2SOLVERLIBS} -Wl,--start-group $MKLLIB ${MUMPSSOLVERLIBS2} \ - $MARC_MKL/libiomp5.a -Wl,--end-group \ - $MARC_LIB/blas_src.a ${VKISOLVERLIBS} ${CASISOLVERLIBS} " -SOLVERLIBS_DLL=${SOLVERLIBS} - -MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}" -MRCLIBSPAR="$MARC_LIB/clib.a" -STUBS="$MARC_LIB/stubs.a " -MNFLIBS="$MARC_LIB/libmnf.a" -MDUSER="$MARC_LIB/md_user.a" - -OPENMP="-openmp" - -SYSLIBS=" $OPENMP -lpthread " - -# Uncomment the following lines to turn on the trace and comment out the next 4 lines -# if test $MPITYPE = intelmpi -# then -# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \ -# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt" -# fi -if test $MPITYPE = intelmpi -then - SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -threads -lpthread" -fi - -SYSLIBSPAR=" " - -MARC_DLL_CODES="runmarc.f" - - -BLAS_SRC="dzero.f icopy.f izero.f" -if test "$_OEM_NASTRAN" -ne 0 -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f" - else - BLAS_SRC="ALL" - fi -fi - -LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \ - omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \ - elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \ - cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \ - inertie.f em_sso072.f cn_fol3d_qpatch6.f" -if test "$MARC_INTEGER_SIZE" = "i8" ; then - LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f" -fi -LOW_OPT_CODES_CASI="" - -HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \ - dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \ - dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f cn_qsort4_11.f " - - -HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c" - -MAXNUM=1000000 diff --git a/installation/mods_MarcMentat/2014/Marc_tools/run_damask b/installation/mods_MarcMentat/2014/Marc_tools/run_damask deleted file mode 100644 index 8c70cf77e..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/run_damask +++ /dev/null @@ -1,4085 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_h b/installation/mods_MarcMentat/2014/Marc_tools/run_damask_h deleted file mode 100644 index aa22a1d24..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_h +++ /dev/null @@ -1,4085 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - shift - arg=$1 -fi -while [ -n "$arg" ] -do - shift - value=$1 - case $arg in - -al* | -AL*) - LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - $MARC_BIN/marc -alloc 1 - exit - ;; - -li* | -LI*) - justlist=yes - ;; - -fe* | -FE*) - feature=$value - ;; - -pr* | -PR*) - if test `dirname $value` = '.' - then - prog=`$BASENAME $value .marc` - progdll=`$BASENAME $value` - else - prog=`dirname $value`/`$BASENAME $value .marc` - progdll=`dirname $value`/`$BASENAME $value` - fi - prdir=`dirname $value` - case $prdir in - \/*) - ;; - *) - prog=`pwd`/$prdir/$prog - ;; - esac - ;; - -j* | -J*) - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - ;; - -r* | -R*) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - -si* | -SI*) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_h $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_h $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_hmp b/installation/mods_MarcMentat/2014/Marc_tools/run_damask_hmp deleted file mode 100644 index ec1076b47..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_hmp +++ /dev/null @@ -1,4085 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - shift - arg=$1 -fi -while [ -n "$arg" ] -do - shift - value=$1 - case $arg in - -al* | -AL*) - LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - $MARC_BIN/marc -alloc 1 - exit - ;; - -li* | -LI*) - justlist=yes - ;; - -fe* | -FE*) - feature=$value - ;; - -pr* | -PR*) - if test `dirname $value` = '.' - then - prog=`$BASENAME $value .marc` - progdll=`$BASENAME $value` - else - prog=`dirname $value`/`$BASENAME $value .marc` - progdll=`dirname $value`/`$BASENAME $value` - fi - prdir=`dirname $value` - case $prdir in - \/*) - ;; - *) - prog=`pwd`/$prdir/$prog - ;; - esac - ;; - -j* | -J*) - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - ;; - -r* | -R*) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - -si* | -SI*) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - -pi* | -PI*) - if test -f $value.t19 - then - pid=`$BASENAME $value .t19` - else - pid=`$BASENAME $value .t16` - fi - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - -bdf | -BDF) - makebdf=1 - ;; - -de* | -DE*) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - -vf | -VF) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - -u* | -U*) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - -obj | -OBJ) - objs="$value" - ;; - -q* | -Q*) - qid=$value - ;; - -b* | -B*) - case $value in - y* | Y*) - qid=background - ;; - n* | N*) - qid=foreground - ;; - *) - ;; - esac - ;; - -at | -AT) - att=$value - ;; - -cpu* | -CPU*) - cpu=$value - ;; - -pq | -PQ*) - priority=$value - ;; - -v* | -V*) - verify=$value - ;; - -sa* | -SA*) - prgsav=$value - ;; - -np* | -NP*) - nprocdddm=$value - nprocdddmprint=$value - case $arg in - -nps* | -NPS* | -nprocds* | -NPROCDS*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - case $arg in - -np | -NP | -nprocd | -NPROCD) - icreated=0 - nprocdarg=-nprocd - ;; - esac - ;; - -ns* | -NS*) - nsolver=$value - ;; - -nt* | -NT*) - case $arg in - -nte | -NTE | -nthread_e* | -NTHREAD_E*) - nte=$value - ;; - esac - case $arg in - -nts | -NTS | -nthread_s* | -NTHREAD_S*) - nts=$value - ;; - esac - case $arg in - -nt | -NT | -nth* | -NTH* | -nthread* | -NTHREAD*) - nt=$value - ;; - esac - ;; - -gp* | -GP*) - gpuids=$value - ;; - -it* | -IT*) - itree=$value - ;; - -iam | -IAM) - iam=$value - ;; - -au* | -AU*) - nauto=$value - ;; - -dc* | -DC*) - ndcoup=$value - ;; - -dy* | -DY*) - ndytran=$value - ;; - -ou* | -OU*) - noutcore=$value - ;; - -dll | -DLL) - dllrun=$value - ;; - -trk | -TRK) - trkrun=$value - ;; - -me | -ME ) - mesh=$value - ;; - -ml | -ML ) - memlimit=$value - ;; - -mo | -MO ) - ;; - -mpi | -MPI ) - mpioption=true - MARC_MPITYPE=$value - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - else - exefile=marc - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - fi - fi - ;; - -dir* | -DIR*) - DIRJOB=$value - case $DIRJOB in - \/*) - ;; - *) - DIRJOB=`pwd`/$DIRJOB - ;; - esac - if test -z "$DIRSCRSET" - then - DIRSCR=$DIRJOB - fi - ;; - -sd* | -SD*) - DIRSCR=$value - DIRSCRSET=yes - case $DIRSCR in - \/*) - ;; - *) - DIRSCR=`pwd`/$DIRSCR - ;; - esac - ;; - -ho* | -HO*) - host=$value - ;; - -co* | -CO*) - compatible=$value - ;; - -ci* | -CI*) - cpinput=$value - ;; - -cr* | -CR*) - cpresults=$value - ;; - *) - error="$error -$arg: invalid option" - break - ;; - esac - case $value in - -*) - error="$error -$arg: invalid name $value" - break - ;; - esac - shift - arg=$1 - if [ ${arg}X = -i8X -o ${arg}X = -I8X -o ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - shift - arg=$1 - fi -done -argc=`expr $# % 2` -if test $argc -eq 1 -then -# -# odd number of arguments -# - error="$error -argument list incomplete" -fi - -if test $nprocdddm -gt 0 -then -nprocd=$nprocdddm -fi - -if test $nsolver -gt 0 -then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi -fi -# Set defaults -if test $nt -eq -1 -then -nt=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nt -lt 0 -then -nt=0 -fi -if test $nte -eq -1 -then -nte=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nte -lt 0 -then -nte=0 -fi -if test $nts -eq -1 -then -nts=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nts -lt 0 -then -nts=0 -fi -# -# set number of element loop threads -# -ntprint=$nt -nteprint=$nte -# copy from -nprocd[s] -if test $nprocdddm -gt 1 -then - nteprint=$nprocdddm -fi -# override with -nthread_elem option -if test $nte -ne 0 -then -nteprint=$nte -fi -# check for minimum 1 threads per processes for DDM -if test $nprocdddm -gt 1 -then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi -fi -nte=$nteprint -# -# set number of Solver threads -# -ntsprint=$nts -# copy from -nthread or -nprocd[s] -if test $ntprint -ne 0 -then - ntsprint=$ntprint -else - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -fi -# override with -nthread_solver option -if test $nts -ne 0 -then - ntsprint=$nts -fi -# check for minimum 1 threads per solver process. -if test $nsolver -lt $nprocdddm -then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi -else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi -fi -if test $ntsprint -eq 1 -then - set ntsprint=0 -fi -nts=$ntsprint - -# set stack size for multi-threading. -export KMP_MONITOR_STACKSIZE=7M -export OMP_STACKSIZE=7M - -# -# deprecate -nthread option at arugment of marc -nt=0 -# Reset nprocdddmm, nsolver and threads if not given. -if test $nprocdddm -eq 0 -then - nprocdarg= -fi -if test $nprocdddm -eq 0 -then - nprocdddmprint= -fi -if test $nprocdddm -eq 0 -then - nprocdddm= -fi - -if test $nsolver -eq 0 -then - nsolverprint= -fi -# end of threads setting. -gpuoption= -if test "$gpuids" = "" ; then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; 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then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_l b/installation/mods_MarcMentat/2014/Marc_tools/run_damask_l deleted file mode 100644 index 388e2f056..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_l +++ /dev/null @@ -1,4085 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; 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- esac - ;; - -pi* | -PI*) - if test -f $value.t19 - then - pid=`$BASENAME $value .t19` - else - pid=`$BASENAME $value .t16` - fi - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - -bdf | -BDF) - makebdf=1 - ;; - -de* | -DE*) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - -vf | -VF) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - -u* | -U*) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - -obj | -OBJ) - objs="$value" - ;; - -q* | -Q*) - qid=$value - ;; - -b* | -B*) - case $value in - y* | Y*) - qid=background - ;; 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- -ou* | -OU*) - noutcore=$value - ;; - -dll | -DLL) - dllrun=$value - ;; - -trk | -TRK) - trkrun=$value - ;; - -me | -ME ) - mesh=$value - ;; - -ml | -ML ) - memlimit=$value - ;; - -mo | -MO ) - ;; - -mpi | -MPI ) - mpioption=true - MARC_MPITYPE=$value - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - else - exefile=marc - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - fi - fi - ;; - -dir* | -DIR*) - DIRJOB=$value - case $DIRJOB in - \/*) - ;; - *) - DIRJOB=`pwd`/$DIRJOB - ;; - esac - if test -z "$DIRSCRSET" - then - DIRSCR=$DIRJOB - fi - ;; - -sd* | -SD*) - DIRSCR=$value - DIRSCRSET=yes - case $DIRSCR in - \/*) - ;; - *) - DIRSCR=`pwd`/$DIRSCR - ;; - esac - ;; - -ho* | -HO*) - host=$value - ;; - -co* | -CO*) - compatible=$value - ;; - -ci* | -CI*) - cpinput=$value - ;; - -cr* | -CR*) - cpresults=$value - ;; - *) - error="$error -$arg: invalid option" - break - ;; - esac - case $value in - -*) - error="$error -$arg: invalid name $value" - break - ;; - esac - shift - arg=$1 - if [ ${arg}X = -i8X -o ${arg}X = -I8X -o ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - shift - arg=$1 - fi -done -argc=`expr $# % 2` -if test $argc -eq 1 -then -# -# odd number of arguments -# - error="$error -argument list incomplete" -fi - -if test $nprocdddm -gt 0 -then -nprocd=$nprocdddm -fi - -if test $nsolver -gt 0 -then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi -fi -# Set defaults -if test $nt -eq -1 -then -nt=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nt -lt 0 -then -nt=0 -fi -if test $nte -eq -1 -then -nte=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nte -lt 0 -then -nte=0 -fi -if test $nts -eq -1 -then -nts=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nts -lt 0 -then -nts=0 -fi -# -# set number of element loop threads -# -ntprint=$nt -nteprint=$nte -# copy from -nprocd[s] -if test $nprocdddm -gt 1 -then - nteprint=$nprocdddm -fi -# override with -nthread_elem option -if test $nte -ne 0 -then -nteprint=$nte -fi -# check for minimum 1 threads per processes for DDM -if test $nprocdddm -gt 1 -then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi -fi -nte=$nteprint -# -# set number of Solver threads -# -ntsprint=$nts -# copy from -nthread or -nprocd[s] -if test $ntprint -ne 0 -then - ntsprint=$ntprint -else - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -fi -# override with -nthread_solver option -if test $nts -ne 0 -then - ntsprint=$nts -fi -# check for minimum 1 threads per solver process. -if test $nsolver -lt $nprocdddm -then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi -else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi -fi -if test $ntsprint -eq 1 -then - set ntsprint=0 -fi -nts=$ntsprint - -# set stack size for multi-threading. -export KMP_MONITOR_STACKSIZE=7M -export OMP_STACKSIZE=7M - -# -# deprecate -nthread option at arugment of marc -nt=0 -# Reset nprocdddmm, nsolver and threads if not given. -if test $nprocdddm -eq 0 -then - nprocdarg= -fi -if test $nprocdddm -eq 0 -then - nprocdddmprint= -fi -if test $nprocdddm -eq 0 -then - nprocdddm= -fi - -if test $nsolver -eq 0 -then - nsolverprint= -fi -# end of threads setting. -gpuoption= -if test "$gpuids" = "" ; then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; 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do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; 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then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_l $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_l $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_lmp b/installation/mods_MarcMentat/2014/Marc_tools/run_damask_lmp deleted file mode 100644 index 02109d518..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_lmp +++ /dev/null @@ -1,4085 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_mp b/installation/mods_MarcMentat/2014/Marc_tools/run_damask_mp deleted file mode 100644 index c96f82df8..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/run_damask_mp +++ /dev/null @@ -1,4085 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - shift - arg=$1 -fi -while [ -n "$arg" ] -do - shift - value=$1 - case $arg in - -al* | -AL*) - LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - $MARC_BIN/marc -alloc 1 - exit - ;; - -li* | -LI*) - justlist=yes - ;; - -fe* | -FE*) - feature=$value - ;; - -pr* | -PR*) - if test `dirname $value` = '.' - then - prog=`$BASENAME $value .marc` - progdll=`$BASENAME $value` - else - prog=`dirname $value`/`$BASENAME $value .marc` - progdll=`dirname $value`/`$BASENAME $value` - fi - prdir=`dirname $value` - case $prdir in - \/*) - ;; - *) - prog=`pwd`/$prdir/$prog - ;; - esac - ;; - -j* | -J*) - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - ;; - -r* | -R*) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - -si* | -SI*) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014/Marc_tools/run_marc.original b/installation/mods_MarcMentat/2014/Marc_tools/run_marc.original deleted file mode 100644 index 667f4516e..000000000 --- a/installation/mods_MarcMentat/2014/Marc_tools/run_marc.original +++ /dev/null @@ -1,4138 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo selects i4 or i8 version # -# default: i4 or via defaults file run_marc_defaults # -# the -mo option will override # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - mode=i4 - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "error, version mode must be i4 or i8" - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i4 or i8" - echo " " - echo " use -mo i4 or -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usersubname= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - shift - arg=$1 -fi -while [ -n "$arg" ] -do - shift - value=$1 - case $arg in - -al* | -AL*) - LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - $MARC_BIN/marc -alloc 1 - exit - ;; - -li* | -LI*) - justlist=yes - ;; - -fe* | -FE*) - feature=$value - ;; - -pr* | -PR*) - if test `dirname $value` = '.' - then - prog=`$BASENAME $value .marc` - progdll=`$BASENAME $value` - else - prog=`dirname $value`/`$BASENAME $value .marc` - progdll=`dirname $value`/`$BASENAME $value` - fi - prdir=`dirname $value` - case $prdir in - \/*) - ;; - *) - prog=`pwd`/$prdir/$prog - ;; - esac - ;; - -j* | -J*) - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - ;; - -r* | -R*) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - -si* | -SI*) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - -pi* | -PI*) - if test -f $value.t19 - then - pid=`$BASENAME $value .t19` - else - pid=`$BASENAME $value .t16` - fi - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - -bdf | -BDF) - makebdf=1 - ;; - -de* | -DE*) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - -vf | -VF) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - -u* | -U*) - user=`dirname $value`/`$BASENAME $value .f` - basefile=`$BASENAME $value` - if test ${basefile##*.} = F - then - user=`dirname $value`/`$BASENAME $value .F` - fi - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - if test -f $user.f - then - usersubname=$user.f - elif test -f $user.F - then - usersubname=$user.F - else - usersubname=$user - fi - ;; - -obj | -OBJ) - objs="$value" - ;; - -q* | -Q*) - qid=$value - ;; - -b* | -B*) - case $value in - y* | Y*) - qid=background - ;; - n* | N*) - qid=foreground - ;; - *) - ;; - esac - ;; - -at | -AT) - att=$value - ;; - -cpu* | -CPU*) - cpu=$value - ;; - -pq | -PQ*) - priority=$value - ;; - -v* | -V*) - verify=$value - ;; - -sa* | -SA*) - prgsav=$value - ;; - -np* | -NP*) - nprocdddm=$value - nprocdddmprint=$value - case $arg in - -nps* | -NPS* | -nprocds* | -NPROCDS*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - case $arg in - -np | -NP | -nprocd | -NPROCD) - icreated=0 - nprocdarg=-nprocd - ;; - esac - ;; - -ns* | -NS*) - nsolver=$value - ;; - -nt* | -NT*) - case $arg in - -nte | -NTE | -nthread_e* | -NTHREAD_E*) - nte=$value - ;; - esac - case $arg in - -nts | -NTS | -nthread_s* | -NTHREAD_S*) - nts=$value - ;; - esac - case $arg in - -nt | -NT | -nth* | -NTH* | -nthread* | -NTHREAD*) - nt=$value - ;; - esac - ;; - -gp* | -GP*) - gpuids=$value - ;; - -it* | -IT*) - itree=$value - ;; - -iam | -IAM) - iam=$value - ;; - -au* | -AU*) - nauto=$value - ;; - -dc* | -DC*) - ndcoup=$value - ;; - -dy* | -DY*) - ndytran=$value - ;; - -ou* | -OU*) - noutcore=$value - ;; - -dll | -DLL) - dllrun=$value - ;; - -trk | -TRK) - trkrun=$value - ;; - -me | -ME ) - mesh=$value - ;; - -ml | -ML ) - memlimit=$value - ;; - -mo | -MO ) - ;; - -mpi | -MPI ) - mpioption=true - MARC_MPITYPE=$value - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - else - exefile=marc - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - fi - fi - ;; - -dir* | -DIR*) - DIRJOB=$value - case $DIRJOB in - \/*) - ;; - *) - DIRJOB=`pwd`/$DIRJOB - ;; - esac - if test -z "$DIRSCRSET" - then - DIRSCR=$DIRJOB - fi - ;; - -sd* | -SD*) - DIRSCR=$value - DIRSCRSET=yes - case $DIRSCR in - \/*) - ;; - *) - DIRSCR=`pwd`/$DIRSCR - ;; - esac - ;; - -ho* | -HO*) - host=$value - ;; - -co* | -CO*) - compatible=$value - ;; - -ci* | -CI*) - cpinput=$value - ;; - -cr* | -CR*) - cpresults=$value - ;; - *) - error="$error -$arg: invalid option" - break - ;; - esac - case $value in - -*) - error="$error -$arg: invalid name $value" - break - ;; - esac - shift - arg=$1 - if [ ${arg}X = -i8X -o ${arg}X = -I8X -o ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - shift - arg=$1 - fi -done -argc=`expr $# % 2` -if test $argc -eq 1 -then -# -# odd number of arguments -# - error="$error -argument list incomplete" -fi - -if test $nprocdddm -gt 0 -then -nprocd=$nprocdddm -fi - -if test $nsolver -gt 0 -then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi -fi -# Set defaults -if test $nt -eq -1 -then -nt=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nt -lt 0 -then -nt=0 -fi -if test $nte -eq -1 -then -nte=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nte -lt 0 -then -nte=0 -fi -if test $nts -eq -1 -then -nts=${MARC_NUMBER_OF_THREADS:-0} -fi -if test $nts -lt 0 -then -nts=0 -fi -# -# set number of element loop threads -# -ntprint=$nt -nteprint=$nte -# copy from -nprocd[s] -if test $nprocdddm -gt 1 -then - nteprint=$nprocdddm -fi -# override with -nthread_elem option -if test $nte -ne 0 -then -nteprint=$nte -fi -# check for minimum 1 threads per processes for DDM -if test $nprocdddm -gt 1 -then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi -fi -nte=$nteprint -# -# set number of Solver threads -# -ntsprint=$nts -# copy from -nthread or -nprocd[s] -if test $ntprint -ne 0 -then - ntsprint=$ntprint -else - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -fi -# override with -nthread_solver option -if test $nts -ne 0 -then - ntsprint=$nts -fi -# check for minimum 1 threads per solver process. -if test $nsolver -lt $nprocdddm -then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi -else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi -fi -if test $ntsprint -eq 1 -then - set ntsprint=0 -fi -nts=$ntsprint - -# set stack size for multi-threading. -export KMP_MONITOR_STACKSIZE=7M -export OMP_STACKSIZE=7M - -# -# deprecate -nthread option at arugment of marc -nt=0 -# Reset nprocdddmm, nsolver and threads if not given. -if test $nprocdddm -eq 0 -then - nprocdarg= -fi -if test $nprocdddm -eq 0 -then - nprocdddmprint= -fi -if test $nprocdddm -eq 0 -then - nprocdddm= -fi - -if test $nsolver -eq 0 -then - nsolverprint= -fi -# end of threads setting. -gpuoption= -if test "$gpuids" = "" ; then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$usersubname" - then - if test ! -f $usersubname - then - error="$error -user subroutine file $usersubname not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" - fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $usersubname -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $usersubname -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=`dirname $value`/`$BASENAME $value .f` - basefile=`$BASENAME $value` - if test ${basefile##*.} = F - then - user=`dirname $value`/`$BASENAME $value .F` - fi - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - if test -f $user.f - then - usersubname=$user.f - elif test -f $user.F - then - usersubname=$user.F - else - usersubname=$user - fi - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; 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then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# - - if test "$user" - then -# program=$user.marc - program=$DIRJOB/`$BASENAME $user .f`.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$DIRJOB/`$BASENAME $user .f`.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test ${basefile##*.} = f - then - ln -sf "$user.f" "$usersub" - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user.f $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user.f on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser.f 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user.f on host `hostname`" - fi - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi - fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user.f $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user.f on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser.f 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user.f on host `hostname`" - fi - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null - -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi - fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/edit_window b/installation/mods_MarcMentat/2014/Mentat_bin/edit_window deleted file mode 100644 index b732a7694..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/edit_window +++ /dev/null @@ -1,5 +0,0 @@ -#!/bin/sh -# This script opens a window running an editor. -# The command to invoke the editor is specified during DAMASK installation - -%EDITOR% $* \ No newline at end of file diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/edit_window.original b/installation/mods_MarcMentat/2014/Mentat_bin/edit_window.original deleted file mode 100644 index 64c0a68d0..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/edit_window.original +++ /dev/null @@ -1,18 +0,0 @@ -#!/bin/sh -# This script opens a window running an editor. The default window is an -# xterm, and the default editor is vi. These may be customized. - -dir= -for d in /usr/bin /usr/bin/X11; do - if test -x "$d/xterm"; then - dir="$d" - break - fi -done - -if test -z "$dir"; then - echo "$0: Could not find xterm" - exit 1 -fi - -"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $* diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/kill1.original b/installation/mods_MarcMentat/2014/Mentat_bin/kill1.original deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/kill1.original +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/kill4 b/installation/mods_MarcMentat/2014/Mentat_bin/kill4 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/kill4 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/kill5 b/installation/mods_MarcMentat/2014/Mentat_bin/kill5 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/kill5 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/kill6 b/installation/mods_MarcMentat/2014/Mentat_bin/kill6 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/kill6 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/kill7 b/installation/mods_MarcMentat/2014/Mentat_bin/kill7 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/kill7 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/kill8 b/installation/mods_MarcMentat/2014/Mentat_bin/kill8 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/kill8 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/kill9 b/installation/mods_MarcMentat/2014/Mentat_bin/kill9 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/kill9 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/submit1.original b/installation/mods_MarcMentat/2014/Mentat_bin/submit1.original deleted file mode 100644 index 035070b21..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/submit1.original +++ /dev/null @@ -1,186 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=/nethome/storage/raid3/f.roters/temp/msc/marc2014 -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/submit4 b/installation/mods_MarcMentat/2014/Mentat_bin/submit4 deleted file mode 100644 index f25a2004e..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/submit4 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/submit5 b/installation/mods_MarcMentat/2014/Mentat_bin/submit5 deleted file mode 100644 index 786f6efc5..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/submit5 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/submit6 b/installation/mods_MarcMentat/2014/Mentat_bin/submit6 deleted file mode 100644 index 6a5d9d79f..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/submit6 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/submit7 b/installation/mods_MarcMentat/2014/Mentat_bin/submit7 deleted file mode 100644 index d0e3be475..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/submit7 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/submit8 b/installation/mods_MarcMentat/2014/Mentat_bin/submit8 deleted file mode 100644 index d466fc6ab..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/submit8 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014/Mentat_bin/submit9 b/installation/mods_MarcMentat/2014/Mentat_bin/submit9 deleted file mode 100644 index 207a61803..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_bin/submit9 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2014/Mentat_menus/job_run.ms b/installation/mods_MarcMentat/2014/Mentat_menus/job_run.ms deleted file mode 100644 index 2ab6c9272..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_menus/job_run.ms +++ /dev/null @@ -1,3219 +0,0 @@ -#ifndef AUTOFORGE -popmenu job_title_pm file jobs.ms -popdown job_title_ok file jobs.ms -#ifndef QT_MENTAT -popmenu marc_input_style_pm file job_common.ms -popmenu marc_input_style_run_adv_pm file job_common.ms -popmenu marc_version_run_pm file job_common.ms -#endif - -group job_solver_gr file job_common.ms -group user_domains_gr file domain_decomposition.ms -group user_domains_generate_gr file domain_decomposition.ms -group user_domains_tail_gr file domain_decomposition.ms -group job_solver_opts_gr file job_common.ms -popmenu ddm_options file job_common.ms - -#ifdef QT_MENTAT -browser edit_browser file file.ms -browser directory_browser file file.ms -screen domains file domain_decomposition.ms -#else -popmenu edit_browser_popmenu file file.ms -popmenu directory_browser_popmenu file file.ms -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu usersub_file_browser_pm { - - group { -#endif - - browser usersub_file_browser { - position 0 0 - size 82 72 - text "$usersub_file_browser_label" ($usersub_file_browser_label) - filter "*.f *.f90" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$usersub_file_browser_command" ($usersub_file_browser_command) - } -#ifndef QT_MENTAT - } - - window { - title " Select MARC User Subroutine File" - origin 30 30 - size 82 72 - } - - mode dialog - disable_right_mouse_button -} -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu host_file_browser_pm { - - group { -#endif - - browser host_file_browser { - position 0 0 - size 82 72 - text "$host_file_browser_label" ($host_file_browser_label) - filter "*" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$host_file_browser_command" ($host_file_browser_command) - } -#ifndef QT_MENTAT - } - - window { - title " Select MARC Host File" - origin 30 30 - size 82 72 - } - - mode dialog - disable_right_mouse_button -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_popmenu { - -#ifdef QT_MENTAT - text "RUN JOB" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 52 4 - text "RUN JOB" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - button { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 24 4 - text "USER SUBROUTINE FILE" -#ifdef QT_MENTAT - browser usersub_file_browser -#else - popmenu usersub_file_browser_pm -#endif - settext $usersub_file_browser_label "SELECT USER SUBROUTINE FILE" - set $usersub_file_browser_command "*job_usersub_file" - help job_usersub_file - } - - toggle { - position +26 = - size 22 4 - text "SELECTED USER SUBS" - toggle job_usersubs - help job_run_seluser - visible job_usersubs - popmenu job_usersub_pm - } - - display { - position 1 +4 - size 50 4 - display job_usersub_file - } - - button { - position 1 +4 - size 12 4 - text "EDIT" - command "*job_edit_usersub_file" - visible job_usersub_file - } - - button { - position +12 = - size 12 4 - text "CLEAR" - command "*job_clear_usersub_file" - visible job_usersub_file - } - - roller { - position +12 = - size 26 4 - nvalues 3 - texts "COMPILE / NO SAVE" - "COMPILE AND SAVE" - "RUN SAVED EXECUTABLE" - help job_run_compile - roller "job_option user_source" - visible job_usersub_file -#ifdef QT_MENTAT - commands "*job_option user_source:compile_nosave" - "*job_option user_source:compile_save" - "*job_option user_source:run_saved" -#else - popmenu job_user_source_pm -#endif - } - - toggle { - position 1 +6 - size 22 4 - text "PARALLELIZATION/\{GPU}" - help job_run_parallel - toggle "or(*job_option parallel:on, \ - *job_option assem_recov_multi_threading:on, \ - solver_multi_procs, \ - solver_multi_threads, \ - and(job_solver_mfront_sparse,\ - job_nonsym_off,\ - *job_option solver_use_gpu:on))" - popmenu job_run_parallelization_pm - set $popname2 "job_run_parallelization_pm" - } - - frame { - position +22 = - size 28 16 - border_width 1 - border_color black - - group { - - display { - position 0 0 - size 28 4 - display job_ddm_domains - } - - display { - position = +4 - size 28 4 - display job_assem_recov_nthreads - } - - display { - position = +4 - size 28 4 - display job_solver_procs - visible solver_allows_multi_procs - } - - display { - position = = - size 28 4 - display job_solver_threads - visible "and(solver_allows_multi_threads,\ - not(and(job_solver_mfront_sparse,\ - *job_option parallel:on)))" - } - - display { - position = +4 - size 28 4 - display job_solver_gpu - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } - } - } - - button { - position 1 +18 - size 8 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - -# see also job_common.ms -# see also the ADVANCED JOB SUBMISSION popmenu in this file - - label { - position +10 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" -#ifdef QT_MENTAT - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" -#else - popmenu marc_input_style_pm -#endif - help job_option_input_style - } - - button { - position +20 = - size 13 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position 1 +6 - size 16 6 - text "SUBMIT (1)" - command "*submit_job 1 *monitor_job" - } - - button { - position +16 = - size 16 6 - text "ADV. JOB SUBM." - popmenu job_submit_adv_pm - } - - button { - position +16 = - size 18 6 - text "DAMASK" - popmenu damask - } - - button { - position 1 +6 - size 16 6 - text "UPDATE" - command "*update_job" - } - - button { - position +16 = - size 16 6 - text "MONITOR" - command "*monitor_job" - } - - button { - position +16 = - size 18 6 - text "KILL" - command "*kill_job *monitor_job" - } - - label { - position 1 +7 - size 32 4 - text "STATUS" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_status" - } - - label { - position -32 +4 - size 32 4 - text "CURRENT INCREMENT (CYCLE)" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_increment" - } - - label { - position -32 +4 - size 32 4 - text "SINGULARITY RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_singularity_ratio" - } - - label { - position -32 +4 - size 32 4 - text "CONVERGENCE RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_convergence_ratio" - } - - label { - position 1 +4 - size 32 4 - text "ANALYSIS TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_analysis_time" - } - - label { - position -32 +4 - size 32 4 - text "WALL TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_time" - } - - frame { - position 1 +4 - size 50 8 - - group { - - frame { - position 0 0 - size 50 8 - text "TOTAL" - border_width 1 - border_color black - group { - - label { - position +6 = - size 13 4 - text "CYCLES" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_cycles" - border_width 1 - border_color black - } - - label { - position -13 +4 - size 13 4 - text "SEPARATIONS" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_separations" - border_width 1 - border_color black - } - - label { - position +10 -4 - size 11 4 - text "CUT BACKS" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_cut_backs" - border_width 1 - border_color black - } - - label { - position -11 +4 - size 11 4 - text "REMESHES" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_remeshes" - border_width 1 - border_color black - } - } - } - } - } - - label { - position 1 +8 - size 19 4 - text "EXIT NUMBER" - border_width 1 - border_color black - } - - integer { - position +19 = - size 10 4 - display "job_exit" - } - - button { - position +10 = - size 21 4 - text "EXIT MESSAGE" - popmenu job_exit_msg_pm - help exit_message - } - - label { - position 1 +6 - size 7 4 - text "EDIT" - border_width 1 - border_color black - } - - button { - position +7 = - size 12 4 - text "OUTPUT FILE" - command "*job_edit_output" - } - - button { - position +12 = - size 9 4 - text "LOG FILE" - command "*job_edit_log_file" - } - - button { - position +9 = - size 12 4 - text "STATUS FILE" - command "*job_edit_status_file" - } - - button { - position +12 = - size 10 4 - text "ANY FILE" - settext $edit_browser_label "EDIT FILE" - set $edit_browser_command "*edit_file" -#ifdef QT_MENTAT - browser edit_browser -#else - popmenu edit_browser_popmenu -#endif - help edit_file - } - - popdown { - position 1 +6 - size 32 4 -#ifdef QT_MENTAT - text "OPEN POST FILE (MODEL PLOT RESULTS MENU)" - command "@popdown(job_properties_pm) @main(results) @popup(modelplot_pm) *post_open_default" -#else - text "OPEN POST FILE (RESULTS MENU)" - screen results - command "*post_open_default" -#endif - } - - button { - position 1 +6 - size 12 8 - text "RESET" - command "*job_submit_reset" - } - - popdown { - position +38 = - size 12 8 - text "OK" - } - } - - window job_run_wi { - parent mentat - origin 35 1 - size 52 115 - background_color body - border_width 1 - border_color border - buffering single - } - -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_usersub_pm { - -#ifdef QT_MENTAT - text "CURRENTLY SELECTED USER SUBROUTINES" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 66 4 - text "CURRENTLY SELECTED USER SUBROUTINES" - } -#endif - - display { - position 1 +5 - size 64 86 - display "job_usersubs" - } - - popdown { - position 27 +88 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 66 102 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_submit_adv_pm { - -#ifdef QT_MENTAT - text "ADVANCED JOB SUBMISSION" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 50 4 - text "ADVANCED JOB SUBMISSION" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - label { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 19 4 - text "INITIAL ALLOCATION" - border_width 1 - border_color black - } -#ifdef QT_MENTAT - label { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - } -#else - button { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - command "*job_param general_init_allocation" - } -#endif - text { - position +15 = - size 10 4 - display "job_param_value_general_init_allocation" - command "*job_param general_init_allocation" - help job_param_general_init_allocation - } - - label { - position +10 = - size 4 4 - text "MB" - border_width 1 - border_color black - } - - toggle { - position 1 +5 - size 32 4 - text "OUT-OF-CORE ELEMENT STORAGE" - help job_param_elsto - toggle "*job_option elsto:on" - true_command "*job_option elsto:on" - false_command "*job_option elsto:off" - } - - toggle { - position 1 +4 - size 32 4 - text "OUT-OF-CORE INCREMENTAL BACKUP" - help job_param_inc_backup_storage - toggle "*job_option inc_backup_storage:out_of_core" - true_command "*job_option inc_backup_storage:out_of_core" - false_command "*job_option inc_backup_storage:in_core" - } - - toggle { - position +34 = - size 14 4 - text "CHECK SIZES" - help job_run_check - toggle "*job_option check:on" - true_command "*job_option check:on" - false_command "*job_option check:off" - } - - label { - position 1 +6 - size 16 4 - text "INTEGER SIZE" - border_width 1 - border_color black - } - - roller { - position +16 = - size 32 4 - nvalues 3 - texts "DEFAULT" - "4-BYTE INTEGERS" - "8-BYTE INTEGERS" -#ifdef QT_MENTAT - commands "*job_option marc_integer_size:default" - "*job_option marc_integer_size:i4" - "*job_option marc_integer_size:i8" -#else - popmenu marc_integer_size_pm -#endif - help job_run_intsize - roller "job_option marc_integer_size" - } - - frame { - position 1 +6 - size 48 12 - text "MARC INPUT FILE" - border_width 1 - border_color black - - group { - - label { - position 0 4 - size 9 4 - text "VERSION" - border_width 1 - border_color black - } - - roller { - position +9 = - size 14 4 - nvalues 18 - nvisible 18 - texts "DEFAULT" -#if 0 - "2014" -#endif - "2013.1" - "2013" - "2012" - "2011" - "2010.2" - "2010" - "2008" - "2007" - "2005R3" - "2005" - "2003" - "2001" - "2000" -#if 0 - "8" -#endif - "K7" - "K6.2" - "K5" - "K4" - help job_param_version - rollers "job_input_version_default" -#if 0 - "job_input_version_2014" -#endif - "job_input_version_2013.1" - "job_input_version_2013" - "job_input_version_2012" - "job_input_version_2011" - "job_input_version_2010.2" - "job_input_version_2010" - "job_input_version_2008" - "job_input_version_2007" - "job_input_version_2005r3" - "job_input_version_2005" - "job_input_version_2003" - "job_input_version_2001" - "job_input_version_2000" -#if 0 - "job_input_version_8" -#endif - "job_input_version_k7" - "job_input_version_k6" - "job_input_version_k5" - "job_input_version_k4" -#ifdef QT_MENTAT - commands "*job_option version:default" -#if 0 - "*job_option version:2014" -#endif - "*job_option version:2013.1" - "*job_option version:2013" - "*job_option version:2012" - "*job_option version:2011" - "*job_option version:2010.2" - "*job_option version:2010" - "*job_option version:2008" - "*job_option version:2007" - "*job_option version:2005r3" - "*job_option version:2005" - "*job_option version:2003" - "*job_option version:2001" - "*job_option version:2000" -#if 0 - "*job_option version:8" -#endif - "*job_option version:k7" - "*job_option version:k6" - "*job_option version:k5" - "*job_option version:k4" - visibles "job_allows_input_version_default" -#if 0 - "job_allows_input_version_2014" -#endif - "job_allows_input_version_2013.1" - "job_allows_input_version_2013" - "job_allows_input_version_2012" - "job_allows_input_version_2011" - "job_allows_input_version_2010.2" - "job_allows_input_version_2010" - "job_allows_input_version_2008" - "job_allows_input_version_2007" - "job_allows_input_version_2005r3" - "job_allows_input_version_2005" - "job_allows_input_version_2003" - "job_allows_input_version_2001" - "job_allows_input_version_2000" -#if 0 - "job_allows_input_version_8" -#endif - "job_allows_input_version_k7" - "job_allows_input_version_k6" - "job_allows_input_version_k5" - "job_allows_input_version_k4" -#else - popmenu marc_version_run_pm -#endif - } - -# see also job_common.ms -# see also the RUN JOB popmenu in this file - - label { - position +14 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" -#ifdef QT_MENTAT - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" -#else - popmenu marc_input_style_run_adv_pm -#endif - help job_option_input_style - } - - toggle { - position 0 +4 - size 48 4 - text "EXTENDED PRECISION" - help job_run_precision - toggle "*job_option inp_file_prec:extended" - true_command "*job_option inp_file_prec:extended" - false_command "*job_option inp_file_prec:normal" - } - } - } - - button { - position 1 +14 - size 24 4 - text "SCRATCH DIRECTORY" - settext $directory_browser_label "JOB SCRATCH DIRECTORY" - set $directory_browser_command "*job_scratch_directory" -#ifdef QT_MENTAT - browser directory_browser -#else - popmenu directory_browser_popmenu -#endif - help job_scratch_directory - } - - button { - position +24 = - size 24 4 - text "CLEAR" - command "*job_clear_scratch_directory" - visible job_scratch_directory - } - - text { - position 1 +4 - size 48 4 - display job_scratch_dir - command "*job_scratch_directory" - } - -#ifdef DCOM - toggle { - position 1 +6 - size 8 4 - text "\{DCOM}" - toggle "*job_option dcom:on" - help job_run_dcom - true_command "*job_option dcom:on" - false_command "*job_option dcom:off" - visible win32_available - } - - button { - position +8 = - size 12 4 - text "HOSTNAME" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } - - text job_dcom_hostname { - position +12 = - size 28 4 - display "job_dcom_hostname" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } -#endif - - button { - position 1 +6 - size 24 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - - button { - position +24 = - size 24 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position +4 +6 - size 20 4 - text "WRITE INPUT FILE" - command "*job_write_input" - } - - button { - position = +4 - size 20 4 - text "EDIT INPUT FILE" - command "*job_edit_input" - } - - popdown { - position 1 +5 - size 20 6 - text "SUBMIT 1" - command "*submit_job 1 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 1" - command "*execute_job 1 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 2" - command "*submit_job 2 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 2" - command "*execute_job 2 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 3" - command "*submit_job 3 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 3" - command "*execute_job 3 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } - -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - -#-------------------------------------------------------------------------------------------------- -popmenu damask { - -#ifdef QT_MENTAT - text "DAMASK.MPIE.DE" -#endif - - group { -#ifndef QT_MENTAT - label { - position 0 0 - size 50 4 - text "DAMASK.MPIE.DE" - } -#endif - - label { - position 1 6 - size 13 6 - text "Optimzation" - border_width 1 - border_color black - } - - label { - position +13 = - size 20 6 - text "write Input" - border_width 1 - border_color black - } - - label { - position +18 = - size 30 6 - text "do not write Inp." - border_width 1 - border_color black - } - - label { - position -32 +6 - size 12 6 - text "O2 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 4 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 4 *monitor_job" - } - - label { - position -32 +6 - size 12 6 - text "O1 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 5 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 5 *monitor_job" - } - - label { - position -32 +6 - size 12 6 - text "O0 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 6 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 6 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "CANCEL" - } -} - - - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } - mode dialog -} - -#-------------------------------------------------------------------------------------------------- -popmenu job_exit_msg_pm { - -#ifdef QT_MENTAT - text "EXIT MESSAGE" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 86 4 - text "EXIT MESSAGE" - } - - display { - position 1 5 - size 84 74 - display "job_exit_msg" - } -#endif - -#ifdef QT_MENTAT - - text { - position 1 5 - size 84 74 - multiline - readonly - display "job_exit_msg" - } - -#endif - popdown { - position 37 +76 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 86 90 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_user_source_pm { - - window { - parent job_run_wi - origin 25 17 - size 26 17 - border_width 1 - border_color border - background_color body - } - mode dialog - - group job_user_source_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_user_source_gr { - popdown { - position 0 0 - size 26 4 - text "COMPILE / NO SAVE" - command "*job_option user_source:compile_nosave" - } - - popdown { - position = +4 - size 26 4 - text "COMPILE AND SAVE" - command "*job_option user_source:compile_save" - } - - popdown { - position = +4 - size 26 4 - text "RUN SAVED EXECUTABLE" - command "*job_option user_source:run_saved" - } - - popdown { - position = +5 - size 26 4 - text "CANCEL" - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_parallelization_pm { - -#ifdef QT_MENTAT - text "PARALLELIZATION/\{GPU}" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 60 4 - text "PARALLELIZATION/GPU" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - frame { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 48 28 - group job_ddm_gr - text "DOMAIN DECOMPOSITION" - border_width 1 - border_color black - } - - frame { - position 1 +29 - size 36 13 - group job_assem_recov_gr - text "ASSEMBLY AND RECOVERY" - border_width 1 - border_color black - } - - frame { - position 1 +14 - size 58 31 - group job_parallel_matrix_solver_gr - text "MATRIX SOLVER" - border_width 1 - border_color black - } - - frame { - position 1 +32 - size 48 28 - group job_parallel_env_gr - text "PARALLELIZATION ENVIRONMENT" - border_width 1 - border_color black - visible "or(*job_option parallel:on, \ - solver_multi_procs)" - } - - popdown { - position 24 +30 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 1 - size 60 119 - background_color body - border_width 1 - border_color border - buffering single - } -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_gr { - - toggle { - position 1 4 - size 30 4 - text "USE \{DDM}" - toggle "*job_option parallel:on" - help job_run_ddm_use - true_command "*job_option parallel:on" - false_command "*job_option parallel:off" - } - - frame { - position +2 +5 - size 44 18 - group job_ddm_use_gr - visible "*job_option parallel:on" - } -} - -group job_ddm_use_gr { - roller { - position 0 0 - size 30 4 - nvalues 2 - texts "DECOMPOSITION IN MARC" - "DECOMPOSITION IN MENTAT" - roller "job_option ddm_generator" -#ifdef QT_MENTAT - commands "*job_option ddm_generator:fea_solver" - "*job_option ddm_generator:preprocessor" -#else - popmenu job_ddm_generator_pm -#endif - help job_run_ddm_generator - } - - frame { - position 0 +5 - size 44 8 - group job_ddm_fea_solver_gr - visible "*job_option ddm_generator:fea_solver" - } - - frame { - position = = - size 44 8 - group job_ddm_preprocessor_gr - visible "*job_option ddm_generator:preprocessor" - } - - text { - position 0 +9 - size 22 4 -#ifdef QT_MENTAT - text "Single Input File" -#else - text "SINGLE INPUT FILE" -#endif - readonly - visible "*job_option ddm_generator:fea_solver" - } - - roller { - position = = - size 22 4 - nvalues 2 - texts "MULTIPLE INPUT FILES" - "SINGLE INPUT FILE" - roller "job_option ddm_single_input" - commands "*job_option ddm_single_input:off" - "*job_option ddm_single_input:on" - visible "*job_option ddm_generator:preprocessor" - help job_run_ddm_single_input - } - - roller { - position +23 = - size 21 4 - nvalues 2 - texts "MULTIPLE POST FILES" - "SINGLE POST FILE" - roller "job_option ddm_single_post" - commands "*job_option ddm_single_post:off" - "*job_option ddm_single_post:on" - help job_run_ddm_single_post - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_generator_pm { - - window { - parent mentat - origin 42 19 - size 30 13 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_generator_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_generator_gr { - - popdown { - position 0 0 - size 30 4 - text "DECOMPOSITION IN MARC" - command "*job_option ddm_generator:fea_solver" - help job_run_ddm_generator - } - - popdown { - position = +4 - size 30 4 - text "DECOMPOSITION IN MENTAT" - command "*job_option ddm_generator:preprocessor" - help job_run_ddm_generator - } - - popdown { - position = +5 - size 30 4 - text "CANCEL" - help job_run_ddm_generator - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_fea_solver_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 10 4 - text "# DOMAINS" - help job_param - } -#else - button { - position 0 0 - size 10 4 - text "# DOMAINS" - command "*job_param ndomains" - } -#endif - - text { - position +10 = - size 4 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position +4 = - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#ifdef QT_MENTAT - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#else - popmenu job_ddm_method_pm -#endif - } - - button { - position +4 +4 - size 19 4 - text "ADVANCED SETTINGS" -#ifdef QT_MENTAT - popmenu job_ddm_fea_solver_pm -#else - screen job_ddm_fea_solver_sc - command "@popdown($popname2) @popdown($popname1)" ($popname2, $popname1) -#endif - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_method_pm { - - window { - parent mentat - origin 56 24 - size 30 33 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_method_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_method_gr { - - popdown { - position 0 0 - size 30 4 - text "METIS BEST" - command "*job_option ddm_method:metis_best" - } - - popdown { - position = +4 - size 30 4 - text "METIS ELEMENT BASED" - command "*job_option ddm_method:metis_element_based" - } - - popdown { - position = +4 - size 30 4 - text "METIS NODE BASED" - command "*job_option ddm_method:metis_node_based" - } - - popdown { - position = +4 - size 30 4 - text "RECURSIVE COORDINATE BISECTION" - command "*job_option ddm_method:recur_coord_bisect" - } - - popdown { - position = +4 - size 30 4 - text "VECTOR" - command "*job_option ddm_method:vector" - } - - popdown { - position = +4 - size 30 4 - text "RADIAL" - command "*job_option ddm_method:radial" - } - - popdown { - position = +4 - size 30 4 - text "ANGULAR" - command "*job_option ddm_method:angular" - } - - popdown { - position = +5 - size 30 4 - text "CANCEL" - } -} -#endif - - -#ifdef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_fea_solver_pm { - - text "JOB PARALLELIZATION" -#else -screen job_ddm_fea_solver_sc { - - menu { -#endif - - group { - units 32 120 - -#ifndef QT_MENTAT - label { - position 0 0 - size 32 4 - text "JOB PARALLELIZATION" - } -#endif - - label { - position 0 5 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - -#ifdef QT_MENTAT - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - frame { - -#ifdef QT_MENTAT - position 0 +9 -#else - position 0 +5 -#endif - size 32 76 - text "ADVANCED DECOMPOSITION IN MARC" - border_width 1 - border_color black - - group { - -#ifdef QT_MENTAT - label { - position 1 4 - size 16 4 - text "# DOMAINS" - help job_param - } -#else - button { - position 1 4 - size 16 4 - text "# DOMAINS" - command "*job_param ndomains" - } -#endif - - text { - position +16 = - size 14 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position 1 +4 - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#ifdef QT_MENTAT - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#else - popmenu job_ddm_method2_pm -#endif - } - - frame { - position 1 +5 - size 30 20 - group job_ddm_direction_gr - visible "or(*job_option ddm_method:vector, \ - *job_option ddm_method:radial, \ - *job_option ddm_method:angular)" - } - - toggle { - position 1 +21 - size 30 4 - text "DOMAIN ISLAND REMOVAL" - toggle "*job_option ddm_island_removal:on" - true_command "*job_option ddm_island_removal:on" - false_command "*job_option ddm_island_removal:off" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "GRAPH" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "COARSE" - "FINE" - help ddm_decomp_coarse_graph - rollers "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - commands "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "QUADRATIC ELEMENTS" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "GENUINE" - "LINEARIZED" - help job_run_ddm_decomp_linearized - rollers "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - commands "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - } - -#ifdef QT_MENTAT - label { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - help job_param - } -#else - button { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } -#endif - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_elem_weight_factor" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } - - toggle { - position 1 +5 - size 30 4 - text "DETECT CONTACT" - toggle "*job_option ddm_detect_contact:on" - true_command "*job_option ddm_detect_contact:on" - false_command "*job_option ddm_detect_contact:off" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - help job_run_ddm_decomp_detect_contact - } - -#ifdef QT_MENTAT - label { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - visible "*job_option ddm_detect_contact:on" - } -#else - button { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } -#endif - - text { - position +15 = - size 15 4 - command "*set_ddm_contact_tolerance" - display "job_param_value_ddm_contact_tolerance" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } - -#ifdef QT_MENTAT - label { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - visible "*job_option ddm_detect_contact:on" - } -#else - button { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } -#endif - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_contact_constr_factor" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } - } - } - -#ifdef QT_MENTAT - popdown { - position 0 +77 - size 32 8 - text "OK" - } -#else - frame { - position 0 +77 - size 32 8 - group ok2_gr - } - - frame select_frame - frame inactive_return -#endif - } -#ifndef QT_MENTAT - window main_window - disable_right_mouse_button - } - - menu transform -} # job_ddm_fea_solver_sc -#else - mode permanent -} # job_ddm_fea_solver_pm -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_method2_pm { - - window { - parent mentat - origin 1 22 - size 30 33 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_method_gr -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_direction_gr { - - button { - position 0 0 - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "*job_option ddm_method:vector" - } - - button { - position = = - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "not(*job_option ddm_method:vector)" - } - - button { - position +15 = - size 15 4 - text "FROM / TO" - command "*job_vector_from_to ddm_sort_direction_x" - } - - text { - position -15 +4 - size 10 4 - command "*job_param ddm_sort_direction_x" - display "job_param_value_ddm_sort_direction_x" - help ddm_job_decomp_user_direction_x - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_y" - display "job_param_value_ddm_sort_direction_y" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_z" - display "job_param_value_ddm_sort_direction_z" - } - - frame { - position 0 +4 - size 30 8 - group job_ddm_sort_point_gr - visible "not(*job_option ddm_method:vector)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_gr { - - label { - position 0 0 - size 14 4 - border_width 1 - border_color black - text "POINT ON AXIS" - } - - roller { - position +14 = - size 10 4 - nvalues 2 - texts "DEFAULT" - "USER" - roller "job_option ddm_sort_point" -#ifdef QT_MENTAT - commands "*job_option ddm_sort_point:default" - "*job_option ddm_sort_point:user" -#else - popmenu job_ddm_sort_point_meth_pm -#endif - } - - button { - position +10 = - size 6 4 - text "SET" - command "*job_position ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position 0 +4 - size 10 4 - command "*job_param ddm_sort_point_x" - display "job_param_value_ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_y" - display "job_param_value_ddm_sort_point_y" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_z" - display "job_param_value_ddm_sort_point_z" - visible "*job_option ddm_sort_point:user" - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_sort_point_meth_pm { - - window { - parent mentat - origin 15 35 - size 14 13 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_sort_point_meth_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_meth_gr { - - popdown { - position 0 0 - size 14 4 - text "DEFAULT" - command "*job_option ddm_sort_point:default" - } - - popdown { - position = +4 - size 14 4 - text "USER DEFINED" - command "*job_option ddm_sort_point:user" - } - - popdown { - position = +5 - size 14 4 - text "CANCEL" - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_preprocessor_gr { - - label { - position 0 0 - size 10 4 - text "# DOMAINS" - border_width 1 - border_color black - } - - integer { - position +10 = - size 4 4 - display valid_domains - } - - button { - position +4 = - size 30 4 - text "USER DOMAINS" -#ifdef QT_MENTAT - screen domains -#else - screen job_ddm_user_domains_sc - command "@popdown($popname2) @popdown($popname1)" ($popname2, $popname1) -#endif - help job_run_ddm_user_domains - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -screen job_ddm_user_domains_sc { - - menu { - - group { - units 32 120 - - label { - position 0 0 - size 32 4 - text "USER DOMAINS" - } - - frame { - position 0 5 - size 32 28 - group user_domains_gr - } - - frame { - position 0 +29 - size 32 49 - group user_domains_generate_gr - } - - frame { - position 0 +50 - size 32 8 - group user_domains_tail_gr - } - - frame { - position 0 92 - size 32 8 - group ok2_gr - } - - frame select_frame - frame inactive_return - } - window main_window - disable_right_mouse_button - - } - - menu transform - -} # job_ddm_user_domains_sc -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_assem_recov_gr { - - toggle { - position 1 +4 - size 30 4 - text "MULTIPLE THREADS" - true_command "*job_option assem_recov_multi_threading:on" - false_command "*job_option assem_recov_multi_threading:off" - toggle "*job_option assem_recov_multi_threading:on" - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 12 4 - text "# THREADS" - visible "*job_option assem_recov_multi_threading:on" - } -#else - button { - position +2 +4 - size 12 4 - text "# THREADS" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } -#endif - - text { - position +12 = - size 4 4 - display "job_param_value_assem_recov_nthreads" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } - - label { - position +4 = - size 12 4 - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 = - size 4 4 - display "job_assem_recov_nthreads_dom" - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_matrix_solver_gr { - - label { - position 3 4 - size 12 4 - text "SOLUTION" - border_width 1 - border_color black - } - - roller { - position +12 = - size 18 4 - nvalues 2 - texts "SYMMETRIC" - "NONSYMMETRIC" - rollers job_nonsym_off - job_nonsym_on - commands "*job_option solver_nonsym:off" - "*job_option solver_nonsym:on" - help job_param_solver_method - } - - label { - position -12 +4 - size 6 4 - text "TYPE" - border_width 1 - border_color black - } - - roller { - position +6 = - size 24 4 - nvalues 9 - help job_param_solver_method - texts "MULTIFRONTAL SPARSE" - "MIXED DIRECT-ITERATIVE" - "CASI ITERATIVE" - "PARDISO DIRECT SPARSE" - "MUMPS PARALLEL DIRECT" - "HARDWARE SPARSE" - "ITERATIVE SPARSE" - "DIRECT PROFILE" - "DIRECT SPARSE" - rollers job_solver_mfront_sparse - job_solver_mixed_direct_iterative - job_solver_it_ext - job_solver_pardiso - job_solver_mumps - job_solver_sparse - job_solver_it_sparse - job_solver_dir_profile - job_solver_dir_sparse -#ifdef QT_MENTAT - commands "*job_option solver:mfront_sparse" - "*job_option solver:mixed_direct_iterative" - "*job_option solver:it_ext" - "*job_option solver:pardiso" - "*job_option solver:mumps" - "*job_option solver:sparse" - "*job_option solver:it_sparse" - "*job_option solver:dir_profile" - "*job_option solver:dir_sparse" - visibles job_allows_solver_mfront_sparse - job_allows_solver_mixed_direct_iterative - job_allows_solver_it_ext - job_allows_solver_pardiso - job_allows_solver_mumps - job_allows_solver_sparse - job_allows_solver_it_sparse - job_allows_solver_dir_profile - job_allows_solver_dir_sparse - help job_param_solver_method -#else - popmenu job_set_parallel_matrix_solver_pm -#endif - } - - button { - position +24 = - size 10 4 - text "OPTIONS" - popmenu job_parallel_matrix_solver_opt_pm - } - - frame { - position +10 = - size 14 4 - group job_run_solver_ddm_opts_gr - visible "*job_option parallel:on" - } - - frame { - position 1 +5 - size 46 8 - group job_solver_multi_procs_gr - visible solver_allows_multi_procs - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_gr - visible solver_allows_multi_threads - } - - frame { - position 1 +9 - size 46 8 - group job_solver_gpu_gr - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_set_parallel_matrix_solver_pm { - window { - parent mentat - origin 48 61 - size 24 42 - border_width 1 - border_color border - background_color body - } - mode dialog - - group job_solver_gr -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_parallel_matrix_solver_opt_pm { - -#ifdef QT_MENTAT - text "MATRIX SOLVER OPTIONS" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 38 4 - text "MATRIX SOLVER OPTIONS" - } -#endif - - frame { - position 1 5 - size 36 23 - group job_solver_opts_gr - } - - popdown { - position 13 +25 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 41 12 - size 38 39 - border_width 1 - border_color border - background_color body - } - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -group job_run_solver_ddm_opts_gr { - - button { - position 0 0 - size 14 4 - text "\{DDM} OPTIONS" - popmenu ddm_options -# see also job_common.ms! - visible "not(or(job_solver_it_sparse, \ - job_solver_it_ext, \ - job_solver_mixed_direct_iterative, \ - job_solver_pardiso, \ - job_solver_mumps))" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_procs_parallel_off_gr - visible "*job_option parallel:off" - } - - frame { - position = = - size 46 8 - group job_solver_multi_procs_parallel_on_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - true_command "*job_option nsolver_procs_serial:on" - false_command "*job_option nsolver_procs_serial:off" - toggle "*job_option nsolver_procs_serial:on" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - visible "*job_option nsolver_procs_serial:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# PROCESSES" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - border_width 1 - border_color black - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - help job_run_multithreading - rollers "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_nsolver_procs_ddm_automatic_gr - visible "*job_option nsolver_procs_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_nsolver_procs_ddm_user_gr - visible "*job_option nsolver_procs_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nsolver_procs" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - } -} - -group job_solver_multi_threads_gr { - frame { - position 0 0 - size 30 8 - group job_solver_multi_threads_mfront_sparse_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_off_gr - visible "and(job_solver_pardiso,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_on_gr - visible "and(job_solver_pardiso,*job_option parallel:on)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option mfront_sparse_multi_threading:on" - true_command "*job_option mfront_sparse_multi_threading:on" - false_command "*job_option mfront_sparse_multi_threading:off" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option mfront_sparse_multi_threading:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# THREADS" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_gpu_gr { - - toggle { - position 0 0 - size 30 4 - text "USE \{GPU(s)}" - toggle "*job_option solver_use_gpu:on" - true_command "*job_option solver_use_gpu:on" - false_command "*job_option solver_use_gpu:off" - help job_solver_gpu - } - - label { - position +2 +4 - size 16 4 - text "\{GPU} SELECTION" - border_width 1 - border_color black - visible "*job_option solver_use_gpu:on" - } - - roller { - position +16 = - size 12 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - rollers "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - visible "*job_option solver_use_gpu:on" - help job_solver_gpu - } - - text { - position +12 = - size 16 4 - display job_solver_gpus - command "*clear_job_solver_gpus *job_solver_gpus" - visible "and(*job_option solver_use_gpu:on,*job_option solver_gpus:user)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option pardiso_multi_threading:on" - true_command "*job_option pardiso_multi_threading:on" - false_command "*job_option pardiso_multi_threading:off" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option pardiso_multi_threading:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# THREADS" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_pardiso_multi_threads_ddm_automatic_gr - visible "*job_option pardiso_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_pardiso_multi_threads_ddm_user_gr - visible "*job_option pardiso_multi_threading_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nthreads" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_gr { - - roller { - position 1 4 - size 30 4 - nvalues 2 - texts "SINGLE MACHINE" - "NETWORK" - help job_run_ddm_setup - roller "job_option parallel_setup" - commands "*job_option parallel_setup:single" - "*job_option parallel_setup:network" - } - - frame { - position +2 +5 - size 44 18 - group job_parallel_env_network_gr - visible "*job_option parallel_setup:network" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_gr { - - button { - position 0 0 - size 28 4 - text "HOST FILE" -#ifdef QT_MENTAT - browser host_file_browser -#else - popmenu host_file_browser_pm -#endif - settext $host_file_browser_label "SELECT HOST FILE" - set $host_file_browser_command "*job_host_file" - help job_host_file - } - - button { - position +28 = - size 8 4 - text "EDIT" - command "*job_edit_host_file" - help job_edit_host_file - visible job_host_file - } - - button { - position +8 = - size 8 4 - text "CLEAR" - command "*job_clear_host_file" - help job_clear_host_file - visible job_host_file - } - - display { - position 0 +4 - size 44 4 - display job_host_file - } - - frame { - position 0 +5 - size 44 9 - group job_parallel_env_network_ddm_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_ddm_gr { - - toggle { - position 0 0 - size 22 4 - text "COPY INPUT FILE" - toggle "*job_option copy_input_file:on" - true_command "*job_option copy_input_file:on" - false_command "*job_option copy_input_file:off" - help job_host_copy_inputfile - } - - toggle { - position +23 = - size 21 4 - text "COPY POST FILE" - toggle "*job_option copy_post_file:on" - true_command "*job_option copy_post_file:on" - false_command "*job_option copy_post_file:off" - help job_host_copy_inputfile - } - - label { - position 0 +5 - size 10 4 - text "HOSTS" - border_width 1 - border_color black - visible job_usersub_file - } - - roller { - position +10 = - size 18 4 - nvalues 2 - texts "COMPATIBLE" - "INCOMPATIBLE" - roller "job_option network_hosts" - commands "*job_option network_hosts:compatible" - "*job_option network_hosts:incompatible" - help job_host_comp - visible job_usersub_file - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu marc_integer_size_pm { - - window { - parent mentat - origin 55 32 - size 32 17 - border_width 1 - border_color border - background_color body - } - mode dialog - - group marc_integer_size_gr -} - - -#-------------------------------------------------------------------------------------------------- -group marc_integer_size_gr { - - popdown { - position 0 0 - size 32 4 - text "DEFAULT" - command "*job_option marc_integer_size:default" - help job_run_intsize - } - - popdown { - position = +4 - size 32 4 - text "4-BYTE INTEGERS" - command "*job_option marc_integer_size:i4" - help job_run_intsize - } - - popdown { - position = +4 - size 32 4 - text "8-BYTE INTEGERS" - command "*job_option marc_integer_size:i8" - help job_run_intsize - } - - popdown { - position = +5 - size 32 4 - text "CANCEL" - help job_run_intsize - } -} -#endif -#endif diff --git a/installation/mods_MarcMentat/2014/Mentat_menus/job_run.ms.original b/installation/mods_MarcMentat/2014/Mentat_menus/job_run.ms.original deleted file mode 100644 index 532c95b77..000000000 --- a/installation/mods_MarcMentat/2014/Mentat_menus/job_run.ms.original +++ /dev/null @@ -1,3082 +0,0 @@ -#ifndef AUTOFORGE -popmenu job_title_pm file jobs.ms -popdown job_title_ok file jobs.ms -#ifndef QT_MENTAT -popmenu marc_input_style_pm file job_common.ms -popmenu marc_input_style_run_adv_pm file job_common.ms -popmenu marc_version_run_pm file job_common.ms -#endif - -group job_solver_gr file job_common.ms -group user_domains_gr file domain_decomposition.ms -group user_domains_generate_gr file domain_decomposition.ms -group user_domains_tail_gr file domain_decomposition.ms -group job_solver_opts_gr file job_common.ms -popmenu ddm_options file job_common.ms - -#ifdef QT_MENTAT -browser edit_browser file file.ms -browser directory_browser file file.ms -screen domains file domain_decomposition.ms -#else -popmenu edit_browser_popmenu file file.ms -popmenu directory_browser_popmenu file file.ms -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu usersub_file_browser_pm { - - group { -#endif - - browser usersub_file_browser { - position 0 0 - size 82 72 - text "$usersub_file_browser_label" ($usersub_file_browser_label) - filter "*.f *.F" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$usersub_file_browser_command" ($usersub_file_browser_command) - } -#ifndef QT_MENTAT - } - - window { - title " Select MARC User Subroutine File" - origin 30 30 - size 82 72 - } - - mode dialog - disable_right_mouse_button -} -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu host_file_browser_pm { - - group { -#endif - - browser host_file_browser { - position 0 0 - size 82 72 - text "$host_file_browser_label" ($host_file_browser_label) - filter "*" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$host_file_browser_command" ($host_file_browser_command) - } -#ifndef QT_MENTAT - } - - window { - title " Select MARC Host File" - origin 30 30 - size 82 72 - } - - mode dialog - disable_right_mouse_button -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_popmenu { - -#ifdef QT_MENTAT - text "RUN JOB" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 52 4 - text "RUN JOB" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - button { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 24 4 - text "USER SUBROUTINE FILE" -#ifdef QT_MENTAT - browser usersub_file_browser -#else - popmenu usersub_file_browser_pm -#endif - settext $usersub_file_browser_label "SELECT USER SUBROUTINE FILE" - set $usersub_file_browser_command "*job_usersub_file" - help job_usersub_file - } - - toggle { - position +26 = - size 22 4 - text "SELECTED USER SUBS" - toggle job_usersubs - help job_run_seluser - visible job_usersubs - popmenu job_usersub_pm - } - - display { - position 1 +4 - size 50 4 - display job_usersub_file - } - - button { - position 1 +4 - size 12 4 - text "EDIT" - command "*job_edit_usersub_file" - visible job_usersub_file - } - - button { - position +12 = - size 12 4 - text "CLEAR" - command "*job_clear_usersub_file" - visible job_usersub_file - } - - roller { - position +12 = - size 26 4 - nvalues 3 - texts "COMPILE / NO SAVE" - "COMPILE AND SAVE" - "RUN SAVED EXECUTABLE" - help job_run_compile - roller "job_option user_source" - visible job_usersub_file -#ifdef QT_MENTAT - commands "*job_option user_source:compile_nosave" - "*job_option user_source:compile_save" - "*job_option user_source:run_saved" -#else - popmenu job_user_source_pm -#endif - } - - toggle { - position 1 +6 - size 22 4 - text "PARALLELIZATION/\{GPU}" - help job_run_parallel - toggle "or(*job_option parallel:on, \ - *job_option assem_recov_multi_threading:on, \ - solver_multi_procs, \ - solver_multi_threads, \ - and(job_solver_mfront_sparse,\ - job_nonsym_off,\ - *job_option solver_use_gpu:on))" - popmenu job_run_parallelization_pm - set $popname2 "job_run_parallelization_pm" - } - - frame { - position +22 = - size 28 16 - border_width 1 - border_color black - - group { - - display { - position 0 0 - size 28 4 - display job_ddm_domains - } - - display { - position = +4 - size 28 4 - display job_assem_recov_nthreads - } - - display { - position = +4 - size 28 4 - display job_solver_procs - visible solver_allows_multi_procs - } - - display { - position = = - size 28 4 - display job_solver_threads - visible "and(solver_allows_multi_threads,\ - not(and(job_solver_mfront_sparse,\ - *job_option parallel:on)))" - } - - display { - position = +4 - size 28 4 - display job_solver_gpu - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } - } - } - - button { - position 1 +18 - size 8 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - -# see also job_common.ms -# see also the ADVANCED JOB SUBMISSION popmenu in this file - - label { - position +10 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" -#ifdef QT_MENTAT - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" -#else - popmenu marc_input_style_pm -#endif - help job_option_input_style - } - - button { - position +20 = - size 13 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position 1 +6 - size 16 6 - text "SUBMIT (1)" - command "*submit_job 1 *monitor_job" - } - - button { - position +16 = - size 34 6 - text "ADVANCED JOB SUBMISSION" - popmenu job_submit_adv_pm - } - - button { - position 1 +6 - size 16 6 - text "UPDATE" - command "*update_job" - } - - button { - position +16 = - size 16 6 - text "MONITOR" - command "*monitor_job" - } - - button { - position +16 = - size 18 6 - text "KILL" - command "*kill_job *monitor_job" - } - - label { - position 1 +7 - size 32 4 - text "STATUS" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_status" - } - - label { - position -32 +4 - size 32 4 - text "CURRENT INCREMENT (CYCLE)" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_increment" - } - - label { - position -32 +4 - size 32 4 - text "SINGULARITY RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_singularity_ratio" - } - - label { - position -32 +4 - size 32 4 - text "CONVERGENCE RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_convergence_ratio" - } - - label { - position 1 +4 - size 32 4 - text "ANALYSIS TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_analysis_time" - } - - label { - position -32 +4 - size 32 4 - text "WALL TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_time" - } - - frame { - position 1 +4 - size 50 8 - - group { - - frame { - position 0 0 - size 50 8 - text "TOTAL" - border_width 1 - border_color black - group { - - label { - position +6 = - size 13 4 - text "CYCLES" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_cycles" - border_width 1 - border_color black - } - - label { - position -13 +4 - size 13 4 - text "SEPARATIONS" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_separations" - border_width 1 - border_color black - } - - label { - position +10 -4 - size 11 4 - text "CUT BACKS" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_cut_backs" - border_width 1 - border_color black - } - - label { - position -11 +4 - size 11 4 - text "REMESHES" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_remeshes" - border_width 1 - border_color black - } - } - } - } - } - - label { - position 1 +8 - size 19 4 - text "EXIT NUMBER" - border_width 1 - border_color black - } - - integer { - position +19 = - size 10 4 - display "job_exit" - } - - button { - position +10 = - size 21 4 - text "EXIT MESSAGE" - popmenu job_exit_msg_pm - help exit_message - } - - label { - position 1 +6 - size 7 4 - text "EDIT" - border_width 1 - border_color black - } - - button { - position +7 = - size 12 4 - text "OUTPUT FILE" - command "*job_edit_output" - } - - button { - position +12 = - size 9 4 - text "LOG FILE" - command "*job_edit_log_file" - } - - button { - position +9 = - size 12 4 - text "STATUS FILE" - command "*job_edit_status_file" - } - - button { - position +12 = - size 10 4 - text "ANY FILE" - settext $edit_browser_label "EDIT FILE" - set $edit_browser_command "*edit_file" -#ifdef QT_MENTAT - browser edit_browser -#else - popmenu edit_browser_popmenu -#endif - help edit_file - } - - popdown { - position 1 +6 - size 32 4 -#ifdef QT_MENTAT - text "OPEN POST FILE (MODEL PLOT RESULTS MENU)" - command "@popdown(job_properties_pm) @main(results) @popup(modelplot_pm) *post_open_default" -#else - text "OPEN POST FILE (RESULTS MENU)" - screen results - command "*post_open_default" -#endif - } - - button { - position 1 +6 - size 12 8 - text "RESET" - command "*job_submit_reset" - } - - popdown { - position +38 = - size 12 8 - text "OK" - } - } - - window job_run_wi { - parent mentat - origin 35 1 - size 52 115 - background_color body - border_width 1 - border_color border - buffering single - } - -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_usersub_pm { - -#ifdef QT_MENTAT - text "CURRENTLY SELECTED USER SUBROUTINES" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 66 4 - text "CURRENTLY SELECTED USER SUBROUTINES" - } -#endif - - display { - position 1 +5 - size 64 86 - display "job_usersubs" - } - - popdown { - position 27 +88 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 66 102 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_submit_adv_pm { - -#ifdef QT_MENTAT - text "ADVANCED JOB SUBMISSION" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 50 4 - text "ADVANCED JOB SUBMISSION" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - label { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 19 4 - text "INITIAL ALLOCATION" - border_width 1 - border_color black - } -#ifdef QT_MENTAT - label { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - } -#else - button { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - command "*job_param general_init_allocation" - } -#endif - text { - position +15 = - size 10 4 - display "job_param_value_general_init_allocation" - command "*job_param general_init_allocation" - help job_param_general_init_allocation - } - - label { - position +10 = - size 4 4 - text "MB" - border_width 1 - border_color black - } - - toggle { - position 1 +5 - size 32 4 - text "OUT-OF-CORE ELEMENT STORAGE" - help job_param_elsto - toggle "*job_option elsto:on" - true_command "*job_option elsto:on" - false_command "*job_option elsto:off" - } - - toggle { - position 1 +4 - size 32 4 - text "OUT-OF-CORE INCREMENTAL BACKUP" - help job_param_inc_backup_storage - toggle "*job_option inc_backup_storage:out_of_core" - true_command "*job_option inc_backup_storage:out_of_core" - false_command "*job_option inc_backup_storage:in_core" - } - - toggle { - position +34 = - size 14 4 - text "CHECK SIZES" - help job_run_check - toggle "*job_option check:on" - true_command "*job_option check:on" - false_command "*job_option check:off" - } - - label { - position 1 +6 - size 16 4 - text "INTEGER SIZE" - border_width 1 - border_color black - } - - roller { - position +16 = - size 32 4 - nvalues 3 - texts "DEFAULT" - "4-BYTE INTEGERS" - "8-BYTE INTEGERS" -#ifdef QT_MENTAT - commands "*job_option marc_integer_size:default" - "*job_option marc_integer_size:i4" - "*job_option marc_integer_size:i8" -#else - popmenu marc_integer_size_pm -#endif - help job_run_intsize - roller "job_option marc_integer_size" - } - - frame { - position 1 +6 - size 48 12 - text "MARC INPUT FILE" - border_width 1 - border_color black - - group { - - label { - position 0 4 - size 9 4 - text "VERSION" - border_width 1 - border_color black - } - - roller { - position +9 = - size 14 4 - nvalues 18 - nvisible 18 - texts "DEFAULT" -#if 0 - "2014" -#endif - "2013.1" - "2013" - "2012" - "2011" - "2010.2" - "2010" - "2008" - "2007" - "2005R3" - "2005" - "2003" - "2001" - "2000" -#if 0 - "8" -#endif - "K7" - "K6.2" - "K5" - "K4" - help job_param_version - rollers "job_input_version_default" -#if 0 - "job_input_version_2014" -#endif - "job_input_version_2013.1" - "job_input_version_2013" - "job_input_version_2012" - "job_input_version_2011" - "job_input_version_2010.2" - "job_input_version_2010" - "job_input_version_2008" - "job_input_version_2007" - "job_input_version_2005r3" - "job_input_version_2005" - "job_input_version_2003" - "job_input_version_2001" - "job_input_version_2000" -#if 0 - "job_input_version_8" -#endif - "job_input_version_k7" - "job_input_version_k6" - "job_input_version_k5" - "job_input_version_k4" -#ifdef QT_MENTAT - commands "*job_option version:default" -#if 0 - "*job_option version:2014" -#endif - "*job_option version:2013.1" - "*job_option version:2013" - "*job_option version:2012" - "*job_option version:2011" - "*job_option version:2010.2" - "*job_option version:2010" - "*job_option version:2008" - "*job_option version:2007" - "*job_option version:2005r3" - "*job_option version:2005" - "*job_option version:2003" - "*job_option version:2001" - "*job_option version:2000" -#if 0 - "*job_option version:8" -#endif - "*job_option version:k7" - "*job_option version:k6" - "*job_option version:k5" - "*job_option version:k4" - visibles "job_allows_input_version_default" -#if 0 - "job_allows_input_version_2014" -#endif - "job_allows_input_version_2013.1" - "job_allows_input_version_2013" - "job_allows_input_version_2012" - "job_allows_input_version_2011" - "job_allows_input_version_2010.2" - "job_allows_input_version_2010" - "job_allows_input_version_2008" - "job_allows_input_version_2007" - "job_allows_input_version_2005r3" - "job_allows_input_version_2005" - "job_allows_input_version_2003" - "job_allows_input_version_2001" - "job_allows_input_version_2000" -#if 0 - "job_allows_input_version_8" -#endif - "job_allows_input_version_k7" - "job_allows_input_version_k6" - "job_allows_input_version_k5" - "job_allows_input_version_k4" -#else - popmenu marc_version_run_pm -#endif - } - -# see also job_common.ms -# see also the RUN JOB popmenu in this file - - label { - position +14 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" -#ifdef QT_MENTAT - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" -#else - popmenu marc_input_style_run_adv_pm -#endif - help job_option_input_style - } - - toggle { - position 0 +4 - size 48 4 - text "EXTENDED PRECISION" - help job_run_precision - toggle "*job_option inp_file_prec:extended" - true_command "*job_option inp_file_prec:extended" - false_command "*job_option inp_file_prec:normal" - } - } - } - - button { - position 1 +14 - size 24 4 - text "SCRATCH DIRECTORY" - settext $directory_browser_label "JOB SCRATCH DIRECTORY" - set $directory_browser_command "*job_scratch_directory" -#ifdef QT_MENTAT - browser directory_browser -#else - popmenu directory_browser_popmenu -#endif - help job_scratch_directory - } - - button { - position +24 = - size 24 4 - text "CLEAR" - command "*job_clear_scratch_directory" - visible job_scratch_directory - } - - text { - position 1 +4 - size 48 4 - display job_scratch_dir - command "*job_scratch_directory" - } - -#ifdef DCOM - toggle { - position 1 +6 - size 8 4 - text "\{DCOM}" - toggle "*job_option dcom:on" - help job_run_dcom - true_command "*job_option dcom:on" - false_command "*job_option dcom:off" - visible win32_available - } - - button { - position +8 = - size 12 4 - text "HOSTNAME" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } - - text job_dcom_hostname { - position +12 = - size 28 4 - display "job_dcom_hostname" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } -#endif - - button { - position 1 +6 - size 24 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - - button { - position +24 = - size 24 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position +4 +6 - size 20 4 - text "WRITE INPUT FILE" - command "*job_write_input" - } - - button { - position = +4 - size 20 4 - text "EDIT INPUT FILE" - command "*job_edit_input" - } - - popdown { - position 1 +5 - size 20 6 - text "SUBMIT 1" - command "*submit_job 1 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 1" - command "*execute_job 1 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 2" - command "*submit_job 2 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 2" - command "*execute_job 2 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 3" - command "*submit_job 3 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 3" - command "*execute_job 3 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } - -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_exit_msg_pm { - -#ifdef QT_MENTAT - text "EXIT MESSAGE" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 86 4 - text "EXIT MESSAGE" - } - - display { - position 1 5 - size 84 74 - display "job_exit_msg" - } -#endif - -#ifdef QT_MENTAT - - text { - position 1 5 - size 84 74 - multiline - readonly - display "job_exit_msg" - } - -#endif - popdown { - position 37 +76 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 86 90 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_user_source_pm { - - window { - parent job_run_wi - origin 25 17 - size 26 17 - border_width 1 - border_color border - background_color body - } - mode dialog - - group job_user_source_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_user_source_gr { - popdown { - position 0 0 - size 26 4 - text "COMPILE / NO SAVE" - command "*job_option user_source:compile_nosave" - } - - popdown { - position = +4 - size 26 4 - text "COMPILE AND SAVE" - command "*job_option user_source:compile_save" - } - - popdown { - position = +4 - size 26 4 - text "RUN SAVED EXECUTABLE" - command "*job_option user_source:run_saved" - } - - popdown { - position = +5 - size 26 4 - text "CANCEL" - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_parallelization_pm { - -#ifdef QT_MENTAT - text "PARALLELIZATION/\{GPU}" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 60 4 - text "PARALLELIZATION/GPU" - } -#endif - -#ifdef QT_MENTAT - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - frame { -#ifdef QT_MENTAT - position 1 9 -#else - position 1 5 -#endif - size 48 28 - group job_ddm_gr - text "DOMAIN DECOMPOSITION" - border_width 1 - border_color black - } - - frame { - position 1 +29 - size 36 13 - group job_assem_recov_gr - text "ASSEMBLY AND RECOVERY" - border_width 1 - border_color black - } - - frame { - position 1 +14 - size 58 31 - group job_parallel_matrix_solver_gr - text "MATRIX SOLVER" - border_width 1 - border_color black - } - - frame { - position 1 +32 - size 48 28 - group job_parallel_env_gr - text "PARALLELIZATION ENVIRONMENT" - border_width 1 - border_color black - visible "or(*job_option parallel:on, \ - solver_multi_procs)" - } - - popdown { - position 24 +30 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 1 - size 60 119 - background_color body - border_width 1 - border_color border - buffering single - } -#ifdef QT_MENTAT - mode permanent -#else - mode dialog -#endif -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_gr { - - toggle { - position 1 4 - size 30 4 - text "USE \{DDM}" - toggle "*job_option parallel:on" - help job_run_ddm_use - true_command "*job_option parallel:on" - false_command "*job_option parallel:off" - } - - frame { - position +2 +5 - size 44 18 - group job_ddm_use_gr - visible "*job_option parallel:on" - } -} - -group job_ddm_use_gr { - roller { - position 0 0 - size 30 4 - nvalues 2 - texts "DECOMPOSITION IN MARC" - "DECOMPOSITION IN MENTAT" - roller "job_option ddm_generator" -#ifdef QT_MENTAT - commands "*job_option ddm_generator:fea_solver" - "*job_option ddm_generator:preprocessor" -#else - popmenu job_ddm_generator_pm -#endif - help job_run_ddm_generator - } - - frame { - position 0 +5 - size 44 8 - group job_ddm_fea_solver_gr - visible "*job_option ddm_generator:fea_solver" - } - - frame { - position = = - size 44 8 - group job_ddm_preprocessor_gr - visible "*job_option ddm_generator:preprocessor" - } - - text { - position 0 +9 - size 22 4 -#ifdef QT_MENTAT - text "Single Input File" -#else - text "SINGLE INPUT FILE" -#endif - readonly - visible "*job_option ddm_generator:fea_solver" - } - - roller { - position = = - size 22 4 - nvalues 2 - texts "MULTIPLE INPUT FILES" - "SINGLE INPUT FILE" - roller "job_option ddm_single_input" - commands "*job_option ddm_single_input:off" - "*job_option ddm_single_input:on" - visible "*job_option ddm_generator:preprocessor" - help job_run_ddm_single_input - } - - roller { - position +23 = - size 21 4 - nvalues 2 - texts "MULTIPLE POST FILES" - "SINGLE POST FILE" - roller "job_option ddm_single_post" - commands "*job_option ddm_single_post:off" - "*job_option ddm_single_post:on" - help job_run_ddm_single_post - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_generator_pm { - - window { - parent mentat - origin 42 19 - size 30 13 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_generator_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_generator_gr { - - popdown { - position 0 0 - size 30 4 - text "DECOMPOSITION IN MARC" - command "*job_option ddm_generator:fea_solver" - help job_run_ddm_generator - } - - popdown { - position = +4 - size 30 4 - text "DECOMPOSITION IN MENTAT" - command "*job_option ddm_generator:preprocessor" - help job_run_ddm_generator - } - - popdown { - position = +5 - size 30 4 - text "CANCEL" - help job_run_ddm_generator - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_fea_solver_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 10 4 - text "# DOMAINS" - help job_param - } -#else - button { - position 0 0 - size 10 4 - text "# DOMAINS" - command "*job_param ndomains" - } -#endif - - text { - position +10 = - size 4 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position +4 = - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#ifdef QT_MENTAT - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#else - popmenu job_ddm_method_pm -#endif - } - - button { - position +4 +4 - size 19 4 - text "ADVANCED SETTINGS" -#ifdef QT_MENTAT - popmenu job_ddm_fea_solver_pm -#else - screen job_ddm_fea_solver_sc - command "@popdown($popname2) @popdown($popname1)" ($popname2, $popname1) -#endif - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_method_pm { - - window { - parent mentat - origin 56 24 - size 30 33 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_method_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_method_gr { - - popdown { - position 0 0 - size 30 4 - text "METIS BEST" - command "*job_option ddm_method:metis_best" - } - - popdown { - position = +4 - size 30 4 - text "METIS ELEMENT BASED" - command "*job_option ddm_method:metis_element_based" - } - - popdown { - position = +4 - size 30 4 - text "METIS NODE BASED" - command "*job_option ddm_method:metis_node_based" - } - - popdown { - position = +4 - size 30 4 - text "RECURSIVE COORDINATE BISECTION" - command "*job_option ddm_method:recur_coord_bisect" - } - - popdown { - position = +4 - size 30 4 - text "VECTOR" - command "*job_option ddm_method:vector" - } - - popdown { - position = +4 - size 30 4 - text "RADIAL" - command "*job_option ddm_method:radial" - } - - popdown { - position = +4 - size 30 4 - text "ANGULAR" - command "*job_option ddm_method:angular" - } - - popdown { - position = +5 - size 30 4 - text "CANCEL" - } -} -#endif - - -#ifdef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_fea_solver_pm { - - text "JOB PARALLELIZATION" -#else -screen job_ddm_fea_solver_sc { - - menu { -#endif - - group { - units 32 120 - -#ifndef QT_MENTAT - label { - position 0 0 - size 32 4 - text "JOB PARALLELIZATION" - } -#endif - - label { - position 0 5 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - -#ifdef QT_MENTAT - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } -#endif - - frame { - -#ifdef QT_MENTAT - position 0 +9 -#else - position 0 +5 -#endif - size 32 76 - text "ADVANCED DECOMPOSITION IN MARC" - border_width 1 - border_color black - - group { - -#ifdef QT_MENTAT - label { - position 1 4 - size 16 4 - text "# DOMAINS" - help job_param - } -#else - button { - position 1 4 - size 16 4 - text "# DOMAINS" - command "*job_param ndomains" - } -#endif - - text { - position +16 = - size 14 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position 1 +4 - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#ifdef QT_MENTAT - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" -#else - popmenu job_ddm_method2_pm -#endif - } - - frame { - position 1 +5 - size 30 20 - group job_ddm_direction_gr - visible "or(*job_option ddm_method:vector, \ - *job_option ddm_method:radial, \ - *job_option ddm_method:angular)" - } - - toggle { - position 1 +21 - size 30 4 - text "DOMAIN ISLAND REMOVAL" - toggle "*job_option ddm_island_removal:on" - true_command "*job_option ddm_island_removal:on" - false_command "*job_option ddm_island_removal:off" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "GRAPH" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "COARSE" - "FINE" - help ddm_decomp_coarse_graph - rollers "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - commands "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "QUADRATIC ELEMENTS" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "GENUINE" - "LINEARIZED" - help job_run_ddm_decomp_linearized - rollers "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - commands "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - } - -#ifdef QT_MENTAT - label { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - help job_param - } -#else - button { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } -#endif - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_elem_weight_factor" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } - - toggle { - position 1 +5 - size 30 4 - text "DETECT CONTACT" - toggle "*job_option ddm_detect_contact:on" - true_command "*job_option ddm_detect_contact:on" - false_command "*job_option ddm_detect_contact:off" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - help job_run_ddm_decomp_detect_contact - } - -#ifdef QT_MENTAT - label { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - visible "*job_option ddm_detect_contact:on" - } -#else - button { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } -#endif - - text { - position +15 = - size 15 4 - command "*set_ddm_contact_tolerance" - display "job_param_value_ddm_contact_tolerance" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } - -#ifdef QT_MENTAT - label { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - visible "*job_option ddm_detect_contact:on" - } -#else - button { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } -#endif - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_contact_constr_factor" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } - } - } - -#ifdef QT_MENTAT - popdown { - position 0 +77 - size 32 8 - text "OK" - } -#else - frame { - position 0 +77 - size 32 8 - group ok2_gr - } - - frame select_frame - frame inactive_return -#endif - } -#ifndef QT_MENTAT - window main_window - disable_right_mouse_button - } - - menu transform -} # job_ddm_fea_solver_sc -#else - mode permanent -} # job_ddm_fea_solver_pm -#endif - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_method2_pm { - - window { - parent mentat - origin 1 22 - size 30 33 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_method_gr -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_direction_gr { - - button { - position 0 0 - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "*job_option ddm_method:vector" - } - - button { - position = = - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "not(*job_option ddm_method:vector)" - } - - button { - position +15 = - size 15 4 - text "FROM / TO" - command "*job_vector_from_to ddm_sort_direction_x" - } - - text { - position -15 +4 - size 10 4 - command "*job_param ddm_sort_direction_x" - display "job_param_value_ddm_sort_direction_x" - help ddm_job_decomp_user_direction_x - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_y" - display "job_param_value_ddm_sort_direction_y" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_z" - display "job_param_value_ddm_sort_direction_z" - } - - frame { - position 0 +4 - size 30 8 - group job_ddm_sort_point_gr - visible "not(*job_option ddm_method:vector)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_gr { - - label { - position 0 0 - size 14 4 - border_width 1 - border_color black - text "POINT ON AXIS" - } - - roller { - position +14 = - size 10 4 - nvalues 2 - texts "DEFAULT" - "USER" - roller "job_option ddm_sort_point" -#ifdef QT_MENTAT - commands "*job_option ddm_sort_point:default" - "*job_option ddm_sort_point:user" -#else - popmenu job_ddm_sort_point_meth_pm -#endif - } - - button { - position +10 = - size 6 4 - text "SET" - command "*job_position ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position 0 +4 - size 10 4 - command "*job_param ddm_sort_point_x" - display "job_param_value_ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_y" - display "job_param_value_ddm_sort_point_y" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_z" - display "job_param_value_ddm_sort_point_z" - visible "*job_option ddm_sort_point:user" - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_sort_point_meth_pm { - - window { - parent mentat - origin 15 35 - size 14 13 - border_width 1 - border_color border - background_color body - } - - mode dialog - - group job_ddm_sort_point_meth_gr -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_meth_gr { - - popdown { - position 0 0 - size 14 4 - text "DEFAULT" - command "*job_option ddm_sort_point:default" - } - - popdown { - position = +4 - size 14 4 - text "USER DEFINED" - command "*job_option ddm_sort_point:user" - } - - popdown { - position = +5 - size 14 4 - text "CANCEL" - } -} -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_preprocessor_gr { - - label { - position 0 0 - size 10 4 - text "# DOMAINS" - border_width 1 - border_color black - } - - integer { - position +10 = - size 4 4 - display valid_domains - } - - button { - position +4 = - size 30 4 - text "USER DOMAINS" -#ifdef QT_MENTAT - screen domains -#else - screen job_ddm_user_domains_sc - command "@popdown($popname2) @popdown($popname1)" ($popname2, $popname1) -#endif - help job_run_ddm_user_domains - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -screen job_ddm_user_domains_sc { - - menu { - - group { - units 32 120 - - label { - position 0 0 - size 32 4 - text "USER DOMAINS" - } - - frame { - position 0 5 - size 32 28 - group user_domains_gr - } - - frame { - position 0 +29 - size 32 49 - group user_domains_generate_gr - } - - frame { - position 0 +50 - size 32 8 - group user_domains_tail_gr - } - - frame { - position 0 92 - size 32 8 - group ok2_gr - } - - frame select_frame - frame inactive_return - } - window main_window - disable_right_mouse_button - - } - - menu transform - -} # job_ddm_user_domains_sc -#endif - - -#-------------------------------------------------------------------------------------------------- -group job_assem_recov_gr { - - toggle { - position 1 +4 - size 30 4 - text "MULTIPLE THREADS" - true_command "*job_option assem_recov_multi_threading:on" - false_command "*job_option assem_recov_multi_threading:off" - toggle "*job_option assem_recov_multi_threading:on" - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 12 4 - text "# THREADS" - visible "*job_option assem_recov_multi_threading:on" - } -#else - button { - position +2 +4 - size 12 4 - text "# THREADS" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } -#endif - - text { - position +12 = - size 4 4 - display "job_param_value_assem_recov_nthreads" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } - - label { - position +4 = - size 12 4 - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 = - size 4 4 - display "job_assem_recov_nthreads_dom" - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_matrix_solver_gr { - - label { - position 3 4 - size 12 4 - text "SOLUTION" - border_width 1 - border_color black - } - - roller { - position +12 = - size 18 4 - nvalues 2 - texts "SYMMETRIC" - "NONSYMMETRIC" - rollers job_nonsym_off - job_nonsym_on - commands "*job_option solver_nonsym:off" - "*job_option solver_nonsym:on" - help job_param_solver_method - } - - label { - position -12 +4 - size 6 4 - text "TYPE" - border_width 1 - border_color black - } - - roller { - position +6 = - size 24 4 - nvalues 9 - help job_param_solver_method - texts "MULTIFRONTAL SPARSE" - "MIXED DIRECT-ITERATIVE" - "CASI ITERATIVE" - "PARDISO DIRECT SPARSE" - "MUMPS PARALLEL DIRECT" - "HARDWARE SPARSE" - "ITERATIVE SPARSE" - "DIRECT PROFILE" - "DIRECT SPARSE" - rollers job_solver_mfront_sparse - job_solver_mixed_direct_iterative - job_solver_it_ext - job_solver_pardiso - job_solver_mumps - job_solver_sparse - job_solver_it_sparse - job_solver_dir_profile - job_solver_dir_sparse -#ifdef QT_MENTAT - commands "*job_option solver:mfront_sparse" - "*job_option solver:mixed_direct_iterative" - "*job_option solver:it_ext" - "*job_option solver:pardiso" - "*job_option solver:mumps" - "*job_option solver:sparse" - "*job_option solver:it_sparse" - "*job_option solver:dir_profile" - "*job_option solver:dir_sparse" - visibles job_allows_solver_mfront_sparse - job_allows_solver_mixed_direct_iterative - job_allows_solver_it_ext - job_allows_solver_pardiso - job_allows_solver_mumps - job_allows_solver_sparse - job_allows_solver_it_sparse - job_allows_solver_dir_profile - job_allows_solver_dir_sparse - help job_param_solver_method -#else - popmenu job_set_parallel_matrix_solver_pm -#endif - } - - button { - position +24 = - size 10 4 - text "OPTIONS" - popmenu job_parallel_matrix_solver_opt_pm - } - - frame { - position +10 = - size 14 4 - group job_run_solver_ddm_opts_gr - visible "*job_option parallel:on" - } - - frame { - position 1 +5 - size 46 8 - group job_solver_multi_procs_gr - visible solver_allows_multi_procs - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_gr - visible solver_allows_multi_threads - } - - frame { - position 1 +9 - size 46 8 - group job_solver_gpu_gr - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu job_set_parallel_matrix_solver_pm { - window { - parent mentat - origin 48 61 - size 24 42 - border_width 1 - border_color border - background_color body - } - mode dialog - - group job_solver_gr -} -#endif - - -#-------------------------------------------------------------------------------------------------- -popmenu job_parallel_matrix_solver_opt_pm { - -#ifdef QT_MENTAT - text "MATRIX SOLVER OPTIONS" -#endif - - group { - -#ifndef QT_MENTAT - label { - position 0 0 - size 38 4 - text "MATRIX SOLVER OPTIONS" - } -#endif - - frame { - position 1 5 - size 36 23 - group job_solver_opts_gr - } - - popdown { - position 13 +25 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 41 12 - size 38 39 - border_width 1 - border_color border - background_color body - } - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -group job_run_solver_ddm_opts_gr { - - button { - position 0 0 - size 14 4 - text "\{DDM} OPTIONS" - popmenu ddm_options -# see also job_common.ms! - visible "not(or(job_solver_it_sparse, \ - job_solver_it_ext, \ - job_solver_mixed_direct_iterative, \ - job_solver_pardiso, \ - job_solver_mumps))" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_procs_parallel_off_gr - visible "*job_option parallel:off" - } - - frame { - position = = - size 46 8 - group job_solver_multi_procs_parallel_on_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - true_command "*job_option nsolver_procs_serial:on" - false_command "*job_option nsolver_procs_serial:off" - toggle "*job_option nsolver_procs_serial:on" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - visible "*job_option nsolver_procs_serial:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# PROCESSES" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - border_width 1 - border_color black - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - help job_run_multithreading - rollers "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_nsolver_procs_ddm_automatic_gr - visible "*job_option nsolver_procs_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_nsolver_procs_ddm_user_gr - visible "*job_option nsolver_procs_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nsolver_procs" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - } -} - -group job_solver_multi_threads_gr { - frame { - position 0 0 - size 30 8 - group job_solver_multi_threads_mfront_sparse_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_off_gr - visible "and(job_solver_pardiso,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_on_gr - visible "and(job_solver_pardiso,*job_option parallel:on)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option mfront_sparse_multi_threading:on" - true_command "*job_option mfront_sparse_multi_threading:on" - false_command "*job_option mfront_sparse_multi_threading:off" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option mfront_sparse_multi_threading:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# THREADS" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_gpu_gr { - - toggle { - position 0 0 - size 30 4 - text "USE \{GPU(s)}" - toggle "*job_option solver_use_gpu:on" - true_command "*job_option solver_use_gpu:on" - false_command "*job_option solver_use_gpu:off" - help job_solver_gpu - } - - label { - position +2 +4 - size 16 4 - text "\{GPU} SELECTION" - border_width 1 - border_color black - visible "*job_option solver_use_gpu:on" - } - - roller { - position +16 = - size 12 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - rollers "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - visible "*job_option solver_use_gpu:on" - help job_solver_gpu - } - - text { - position +12 = - size 16 4 - display job_solver_gpus - command "*clear_job_solver_gpus *job_solver_gpus" - visible "and(*job_option solver_use_gpu:on,*job_option solver_gpus:user)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option pardiso_multi_threading:on" - true_command "*job_option pardiso_multi_threading:on" - false_command "*job_option pardiso_multi_threading:off" - help job_run_multithreading - } - -#ifdef QT_MENTAT - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option pardiso_multi_threading:on" - help job_param - } -#else - button { - position +2 +4 - size 14 4 - text "# THREADS" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -#endif - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true -#ifdef QT_MENTAT - set $dummy dummy -#endif - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_pardiso_multi_threads_ddm_automatic_gr - visible "*job_option pardiso_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_pardiso_multi_threads_ddm_user_gr - visible "*job_option pardiso_multi_threading_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_user_gr { - -#ifdef QT_MENTAT - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } -#else - button { - position 0 0 - size 8 4 - text "VALUE" - command "*job_param nthreads" - } -#endif - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_gr { - - roller { - position 1 4 - size 30 4 - nvalues 2 - texts "SINGLE MACHINE" - "NETWORK" - help job_run_ddm_setup - roller "job_option parallel_setup" - commands "*job_option parallel_setup:single" - "*job_option parallel_setup:network" - } - - frame { - position +2 +5 - size 44 18 - group job_parallel_env_network_gr - visible "*job_option parallel_setup:network" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_gr { - - button { - position 0 0 - size 28 4 - text "HOST FILE" -#ifdef QT_MENTAT - browser host_file_browser -#else - popmenu host_file_browser_pm -#endif - settext $host_file_browser_label "SELECT HOST FILE" - set $host_file_browser_command "*job_host_file" - help job_host_file - } - - button { - position +28 = - size 8 4 - text "EDIT" - command "*job_edit_host_file" - help job_edit_host_file - visible job_host_file - } - - button { - position +8 = - size 8 4 - text "CLEAR" - command "*job_clear_host_file" - help job_clear_host_file - visible job_host_file - } - - display { - position 0 +4 - size 44 4 - display job_host_file - } - - frame { - position 0 +5 - size 44 9 - group job_parallel_env_network_ddm_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_ddm_gr { - - toggle { - position 0 0 - size 22 4 - text "COPY INPUT FILE" - toggle "*job_option copy_input_file:on" - true_command "*job_option copy_input_file:on" - false_command "*job_option copy_input_file:off" - help job_host_copy_inputfile - } - - toggle { - position +23 = - size 21 4 - text "COPY POST FILE" - toggle "*job_option copy_post_file:on" - true_command "*job_option copy_post_file:on" - false_command "*job_option copy_post_file:off" - help job_host_copy_inputfile - } - - label { - position 0 +5 - size 10 4 - text "HOSTS" - border_width 1 - border_color black - visible job_usersub_file - } - - roller { - position +10 = - size 18 4 - nvalues 2 - texts "COMPATIBLE" - "INCOMPATIBLE" - roller "job_option network_hosts" - commands "*job_option network_hosts:compatible" - "*job_option network_hosts:incompatible" - help job_host_comp - visible job_usersub_file - } -} - - -#ifndef QT_MENTAT -#-------------------------------------------------------------------------------------------------- -popmenu marc_integer_size_pm { - - window { - parent mentat - origin 55 32 - size 32 17 - border_width 1 - border_color border - background_color body - } - mode dialog - - group marc_integer_size_gr -} - - -#-------------------------------------------------------------------------------------------------- -group marc_integer_size_gr { - - popdown { - position 0 0 - size 32 4 - text "DEFAULT" - command "*job_option marc_integer_size:default" - help job_run_intsize - } - - popdown { - position = +4 - size 32 4 - text "4-BYTE INTEGERS" - command "*job_option marc_integer_size:i4" - help job_run_intsize - } - - popdown { - position = +4 - size 32 4 - text "8-BYTE INTEGERS" - command "*job_option marc_integer_size:i8" - help job_run_intsize - } - - popdown { - position = +5 - size 32 4 - text "CANCEL" - help job_run_intsize - } -} -#endif -#endif diff --git a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask b/installation/mods_MarcMentat/2015/Marc_tools/comp_damask deleted file mode 100644 index 2d144b8a4..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_h b/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_h deleted file mode 100644 index 01464f095..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_h +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_hmp b/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_hmp deleted file mode 100644 index 36ced6543..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_hmp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_l b/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_l deleted file mode 100644 index 31b5cd175..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_l +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_lmp b/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_lmp deleted file mode 100644 index 8a0c1255d..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_lmp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRANLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_mp b/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_mp deleted file mode 100644 index 986d9ae04..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/comp_damask_mp +++ /dev/null @@ -1,52 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -usernoext=$user -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` -usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - -# add BLAS options for linking - BLAS="%BLAS%" - -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user on host `hostname`" -echo "program: $program" - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$usernoext.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $BLAS \ - $SYSLIBS || \ - { - echo "$0: link failed for $usernoext.o on host `hostname`" - exit 1 - } - /bin/rm $userobj - /bin/rm $DIRJOB/*.mod diff --git a/installation/mods_MarcMentat/2015/Marc_tools/comp_user.original b/installation/mods_MarcMentat/2015/Marc_tools/comp_user.original deleted file mode 100644 index 8679bb041..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/comp_user.original +++ /dev/null @@ -1,41 +0,0 @@ -#!/bin/ksh -# 1st arg: $DIR -# 2nd arg: $DIRJOB -# 3rd arg: $user -# 4th arg: $program -DIR=$1 -user=$3 -program=$4 -. $DIR/tools/include -DIRJOB=$2 -cd $DIRJOB -echo "Compiling and linking user subroutine $user.f on host `hostname`" -echo "program: $program" - $FORTRAN $user.f || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - userobj=$user.o - - - $LOAD ${program} $DIR/lib/main.o\ - $DIR/lib/blkdta.o $DIR/lib/comm?.o \ - ${userobj-} \ - $DIR/lib/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ../lib/mdsrc.a \ - ../lib/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS || \ - { - echo "$0: link failed for $user.o on host `hostname`" - exit 1 - } - /bin/rm $userobj diff --git a/installation/mods_MarcMentat/2015/Marc_tools/include_linux64 b/installation/mods_MarcMentat/2015/Marc_tools/include_linux64 deleted file mode 100644 index 2f1abe6ba..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/include_linux64 +++ /dev/null @@ -1,744 +0,0 @@ -# -# General definitions for the Marc 2014 version -# -# EM64T -# ( LP64 - i4 version) -# (ILP64 - i8 version) -# -# Linux RedHat 5.7 -# -# 64 bit MPI version -# -# Intel(R) Fortran Compiler -# Version 13.0.1 -# -# Intel(R) C Compiler -# Version 13.0.1 -# -# MKL Libraries: -# Intel(R) MKL 10.3 -# -# DATE -# -# To check the O/S level, type: -# uname -a -# -# Distributed parallel MPI libraries: -# 1) HP MPI 2.3 -# To check the mpi version, type: -# mpirun -version -# 2) Intel MPI 4.0 -# To check the mpi version, type: -# mpirun -version -# -# To check the Compiler level, type using the compiler -# installation path: -# ifort -V -# icc -V -# -# REMARKS : This file contains the definitions of variables used during -# compilation loading and use of the MARC programmes . The -# current machine type is identified by means of the variable -# MACHINE , defined below. -# -# -# MPI_ROOT: root directory in which mpi shared libraries, etc. are located -# DIRJOB : directory in which spawned jobs should look for Marc input -# MPI_ARCH: system architecture -# MPI_EPATH: path where executable resides -# -REVISION="VERSION, BUILD" -HOSTNAME=`hostname` - -# find available memory in Mbyte on the machine -# can be set explicitly -MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'` - -# set _OEM_NASTRAN to 1 for MD Nastran build -# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable -_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}" - -# uncomment the following line for an autoforge build -#AUTOFORGE=1 -AUTOFORGE=0 -export AUTOFORGE - -# integer size -if test "$MARC_INTEGER_SIZE" = "" ; then - INTEGER_PATH= -else - INTEGER_PATH=/$MARC_INTEGER_SIZE -fi - -FCOMP=ifort - -# -# settings for Metis -# -METIS="-I$METIS_SOURCE/include" -METISLIBS="$MARC_LIB/metis.a " - -# -# settings for MPI -# -# RCP and RSH are used for parallel network runs -# replace with similar commands like rsh if needed -RCP=/usr/bin/scp -RSH=/usr/bin/ssh -# - - -MPI_DEFAULT=intelmpi -MPI_OTHER=hpmpi - -MPITYPE=$MPI_DEFAULT - -if test $AUTOFORGE -then - if test $AUTOFORGE = 1 - then - MPITYPE=none - fi -fi - - -# overrule MPITYPE setting with environmental variable MARC_MPITYPE -if test $MARC_MPITYPE -then - MPITYPE=$MARC_MPITYPE -fi - -# always set MPITYPE to none for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - MPITYPE=none -fi - -# Edit following lines to build with GPGPU version of BCS Solver for -# NVIDIA platforms -#BCSGPUSOLVER=NONE -BCSGPUSOLVER=BCSGPU - -SOLVERFLAGS= -if test "$BCSGPUSOLVER" = BCSGPU -then - SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA" - BCS_DIR=bcsgpusolver - export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH - export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH -else - BCS_DIR=bcssolver -fi -# -# settings for MPI -# -DDM= -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - FCOMPMPI=mpif90 - export MPI_ROOT=$MARC_HPMPI - export MPI_REMSH=$RSH - export MPI_F77=$FCOMP - ARCHITECTURE=linux_amd64 - DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI" - MPI_CLEAN= - export MPI_EPATH=$MARC_BIN - export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH - export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1" -# Below line is moved in run_marc file -# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN" - if test -n "$MSC_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE" - fi - if test -n "$LM_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE" - fi - export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x" - RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f " - RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np " - RUN_JOB0= - fi - if test $MPITYPE = intelmpi - then - INTELMPI_VERSION=HYDRA - FCOMPMPI=mpiifort - MPI_ROOT=$MARC_INTELMPI - DDM="-I${MPI_ROOT}/include64 -DDDM" - PATH=$MPI_ROOT/bin64:$PATH - export PATH - LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - if test $INTELMPI_VERSION = HYDRA - then - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall" - else - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile " - fi - RUN_JOB0= - MPI_CLEAN= - MPI_EPATH=$MARC_BIN - MPIR_HOME=$MPI_ROOT - MPICH_F77=$FCOMP - MPICH_F77LINKER=$FCOMP - export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER - I_MPI_PIN_DOMAIN=node - export I_MPI_PIN_DOMAIN - fi -else - MPI_ROOT=$MARC_DUMMYMPI - export MPI_ROOT=$MARC_DUMMYMPI - DDM="-I$MPI_ROOT/include" -fi - -# -# variables for the "maintain" script -# - -MACHINENAME=LINUX -MACHINE64BIT=yes -MACHINE=Linux_EM64T -DEV=/dev/tape -GETLOG="whoami" -CLEAR="clear" -MY_UNAME=`uname -a` - -# Edit following 2 lines to build with VKI Solver -#VKISOLVER=VKI -VKISOLVER=NONE - -# Edit following 2 lines to build with CASI Solver -CASISOLVER=CASI -if test "$MARC_CASISOLVER" = "NONE" ; then - CASISOLVER=NONE -fi -#CASISOLVER=NONE - -# Edit following 2 lines to build with MF2 Solver -MF2SOLVER=NONE -#MF2SOLVER=SERIAL -#MF2SOLVER=MF2PARALLEL - -# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO) -#INTELSOLVER=NONE -INTELSOLVER=PARDISO - -# Edit following lines to build with MUMPS -if test "$MARC_INTEGER_SIZE" = "i4" ; then - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -else - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -fi - -# Edit following 2 lines to build MARC dynamic shared library -MARC_DLL=MARC_DLL -MARC_DLL=NONE - -# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - VKISOLVER=NONE - CASISOLVER=NONE - MF2SOLVER=NONE - INTELSOLVER=NONE - MUMPSSOLVER=NONE - BCSGPUSOLVER=NONE - MARC_DLL=NONE -fi - -# -# define Fortran and C compile syntax -# -if test "$VKISOLVER" = VKI -then - SOLVERFLAGS="$SOLVERFLAGS -DVKI" -fi - -if test "$CASISOLVER" = CASI -then - SOLVERFLAGS="$SOLVERFLAGS -DCASI" -fi - -if test "$MF2SOLVER" = MF2PARALLEL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL" -fi -if test "$MF2SOLVER" = MF2SERIAL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL" -fi - -if test "$INTELSOLVER" = PARDISO -then - SOLVERFLAGS="$SOLVERFLAGS -DPARDISO" -fi - -if test "$MUMPSSOLVER" = MUMPS -then - SOLVERFLAGS="$SOLVERFLAGS -DMUMPS" -fi - - -if test "$MARC_DLL" = MARC_DLL -then - SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL" -fi - -LINK_OPT= -DEBUG_OPT= -C_DEBUG_OPT= - -#Uncomment following line to build Marc in debuggable mode -MARCDEBUG= -#MARCDEBUG="ON" - -if test "$MARCDEBUG" = "ON" -then - LINK_OPT="-debug -traceback" - DEBUG_OPT="-debug -traceback" - C_DEBUG_OPT="-debug -traceback" -fi - - -MARCCHECK= -#MARCCHECK="ON" -if test "$MARCCHECK" = "ON" -then - DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv " - C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv " -fi - -MARCCODECOV= -#MARCCODECOV="ON" - -MARCCODEPROF= -#MARCCODEPROF="ON" - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - I8FFLAGS="-real-size 64 -integer-size 32" - I8DEFINES="-DFLOAT=8 -DINT=4" - I8CDEFINES= - I8CASIDEFS= -else - I8FFLAGS="-i8 -real-size 64 -integer-size 64" - I8DEFINES="-DI64 -DFLOAT=8 -DINT=8" - I8CDEFINES="-U_DOUBLE -D_SINGLE" - I8CASIDEFS="-DCASI_64BIT_INT=1" -fi - -MTHREAD=OPENMP -if test "$MARC_OPENMP" = "NONE" ; then - MTHREAD=NONE -fi -#MTHREAD=NONE -if test "$_OEM_NASTRAN" -ne 0 -then -MTHREAD=NONE -fi - -OMP_COMPAT=NO -OMP_COMPAT=YES -if test "$MTHREAD" = "NONE" -then -OMP_COMPAT=NO -fi - -CDEFINES= -FDEFINES= - -if test "$_OEM_NASTRAN" -ne 0 -then - CDEFINES="$CDEFINES -D_OEM_NASTRAN" - FDEFINES="$FDEFINES -D_OEM_NASTRAN" -fi - -FDEFINES="$FDEFINES -D_IMPLICITNONE" - -if test "$_OEM_NASTRAN" -eq 0 -then - FDEFINES="$FDEFINES -DMKL -DOPENMP" -fi - -if test "$OMP_COMPAT" = "YES" -then - FDEFINES="$FDEFINES -DOMP_COMPAT" -fi - -# -D_MSCMARC -FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT" -CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES" - -CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS" -if test "$_OEM_NASTRAN" -ne 0 -then - CINCL="$CINCL -I../../include" -fi - -CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - -if test "$MARCDEBUG" = "ON" -then - CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -fi - -LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel" -CCT="$CC" -CCTLOW="$CCLOW" -CCTHIGH="$CCHIGH" - -CC_CASI="$CC -std=c99 $I8CASIDEFS" -CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS" -CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS" - -CCT_CASI="$CCT -std=c99 $I8CASIDEFS" -CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS" -CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS" - -#PROFILE="-Mprof=func" -#PROFILE="-Mprof=lines" -#PROFILE="-Mprof=func,mpi" -PROFILE= -if test "$MARCCODECOV" = "ON" -then -PROFILE="-prof-gen=srcpos" -fi -if test "$MARCCODEPROF" = "ON" -then -PROFILE=" $PROFILE -pg" -fi - -FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB" -if test "$MTHREAD" = "OPENMP" -then - FORT_OPT=" $FORT_OPT -openmp" - if test "$OMP_COMPAT" = "YES" - then - FORT_OPT=" $FORT_OPT -openmp-threadprivate=compat" - fi -else -# FORT_OPT=" $FORT_OPT -auto " - FORT_OPT=" $FORT_OPT -save -zero" -fi - -FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - -# determine DAMASK version -if test -n "$DAMASK_USER"; then - DAMASKROOT=`dirname $DAMASK_USER`/.. - read DAMASKVERSION < $DAMASKROOT/VERSION - DAMASKVERSION="'"$DAMASKVERSION"'" -else - DAMASKVERSION="'N/A'" -fi - -# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3 -DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - -if test "$MARCDEBUG" = "ON" -then - FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - - # DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3 - DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2015 -DDAMASKVERSION=$DAMASKVERSION \ - -openmp -openmp_report2 -openmp-threadprivate=compat\ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - -fi - -FORTLOWT="$FORTLOW" -FORTRANT="$FORTRAN" -FORTHIGHT="$FORTHIGH" - -FORTRANMNF="$FCOMP -c $FDEFINES " -CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE" - -FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main" -CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include" - - -BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL" -NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES " -NVCCLIB="ar rvl" -NVCCLD=icc -BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORT90HIGH="$BCSFORTHIGH" -if test "$MARCDEBUG" = "ON" -then - BCSFORTRAN=$BCSFORTLOW - BCSFORTHIGH=$BCSFORTLOW - BCSFORT90HIGH=$BCSFORTLOW -fi - -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - fi -# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines -# if test $MPITYPE = intelmpi -# then -# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include" -# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# fi - if test $MPITYPE = intelmpi - then - LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - fi -else - LOAD="$FCOMP $LINK_OPT -o " - LOADT="$FCOMP $LINK_OPT -o " -fi - -if test "$MARC_DLL" = MARC_DLL -then - FORTLOW="$FORTLOW -fpp -fPIC" - FORTRAN="$FORTRAN -fpp -fPIC" - FORTHIGH="$FORTHIGH -fpp -fPIC" - FORTRANMNF="$FORTRANMNF -fpp -fPIC" - CC="$CC -fPIC" - CCMNF="$CCMNF -fPIC" - CC_CASI="$CC_CASI -fPIC" - CCLOW_CASI="$CCLOW_CASI -fPIC" - CCHIGH_CASI="$CCHIGH_CASI -fPIC" - LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread" - LINK_MARC_DLL="-shared -fPIC" - LOAD_DLL=$LOAD - LOADT_DLL=$LOADT - EXT_DLL="so" -fi - - -XLIBS="-L/usr/X11/lib -lX11 " - -# -# define archive and ranlib syntax -# - -ARC="ar rvl" -ARD="ar dvl" -ARX="ar xl" -RAN="" - -# -# choose which libraries you want to use ( e.g. blas ) -# - -if test "$VKISOLVER" = VKI -then - VKISOLVERLIBS="$MARC_LIB/vkisolver.a" -else - VKISOLVERLIBS= -fi - -if test "$CASISOLVER" = CASI -then - CASISOLVERLIBS="$MARC_CASI/casilib.a" -else - CASISOLVERLIBS= -fi - -MF2SOLVERLIBS= -if test "$MF2SOLVER" = MF2PARALLEL -then - MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \ - $MARC_LIB/mf2parallel/libsym.a \ - $MARC_LIB/mf2parallel/libmet.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libnum.a \ - $MARC_LIB/mf2parallel/libutl.a \ - $MARC_LIB/mf2parallel/libr8.a \ - $MARC_LIB/mf2parallel/libz.a " -fi - -if test "$INTELSOLVER" = PARDISO -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a" - else - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a" - fi -else - INTELSOLVERLIBS= -fi - -if test "$MUMPSSOLVER" = MUMPS -then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - if test $MPITYPE = none - then - MUMPSSOLVERLIBS2= - echo hello > /dev/null - fi - if test $MPITYPE = intelmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a " - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a " - fi - fi - if test $MPITYPE = hpmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a" - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a" - fi - fi -else - MUMPSSOLVERLIBS= - MUMPSSOLVERLIBS2= -fi - -if test "$BCSGPUSOLVER" = BCSGPU -then - BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a " - MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda " - MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda " - MARCCUDALIBS=$MARCCUDALIBS1 - CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda " -else - BCSSOLVERLIBS="${MARC_LIB}/bcslib.a " -fi - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a -Wl,--end-group" -else - MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a -Wl,--end-group" -fi - -SECLIBS="-L$MARC_LIB -llapi" - -SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${INTELSOLVERLIBS} ${MF2SOLVERLIBS} ${MUMPSSOLVERLIBS2} \ - $MKLLIB -L$MARC_MKL -liomp5 \ - $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a " - -SOLVERLIBS_DLL=${SOLVERLIBS} - -MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}" -MRCLIBSPAR="$MARC_LIB/clib.a" -STUBS="$MARC_LIB/stubs.a " -MNFLIBS="$MARC_LIB/libmnf.a" -MDUSER="$MARC_LIB/md_user.a" - -OPENMP="-openmp" - -SYSLIBS=" $OPENMP -lpthread " - -# Uncomment the following lines to turn on the trace and comment out the next 4 lines -# if test $MPITYPE = intelmpi -# then -# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \ -# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt" -# fi -if test $MPITYPE = intelmpi -then - SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -threads -lpthread " -fi - -SYSLIBSPAR=" " - -MARC_DLL_CODES="runmarc.f" - - -BLAS_SRC="dzero.f icopy.f izero.f" -if test "$_OEM_NASTRAN" -ne 0 -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f" - else - BLAS_SRC="ALL" - fi -fi - -LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \ - omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \ - elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \ - cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \ - inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f" -if test "$MARC_INTEGER_SIZE" = "i8" ; then - LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f" -fi -LOW_OPT_CODES_CASI="" - -HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \ - dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \ - dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f " - - -HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c" - -MAXNUM=1000000 diff --git a/installation/mods_MarcMentat/2015/Marc_tools/include_linux64.original b/installation/mods_MarcMentat/2015/Marc_tools/include_linux64.original deleted file mode 100644 index dcda057af..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/include_linux64.original +++ /dev/null @@ -1,688 +0,0 @@ -# -# General definitions for the Marc 2014 version -# -# EM64T -# ( LP64 - i4 version) -# (ILP64 - i8 version) -# -# Linux RedHat 5.7 -# -# 64 bit MPI version -# -# Intel(R) Fortran Compiler -# Version 13.0.1 -# -# Intel(R) C Compiler -# Version 13.0.1 -# -# MKL Libraries: -# Intel(R) MKL 10.3 -# -# DATE -# -# To check the O/S level, type: -# uname -a -# -# Distributed parallel MPI libraries: -# 1) HP MPI 2.3 -# To check the mpi version, type: -# mpirun -version -# 2) Intel MPI 4.0 -# To check the mpi version, type: -# mpirun -version -# -# To check the Compiler level, type using the compiler -# installation path: -# ifort -V -# icc -V -# -# REMARKS : This file contains the definitions of variables used during -# compilation loading and use of the MARC programmes . The -# current machine type is identified by means of the variable -# MACHINE , defined below. -# -# -# MPI_ROOT: root directory in which mpi shared libraries, etc. are located -# DIRJOB : directory in which spawned jobs should look for Marc input -# MPI_ARCH: system architecture -# MPI_EPATH: path where executable resides -# -REVISION="VERSION, BUILD" -HOSTNAME=`hostname` - -# find available memory in Mbyte on the machine -# can be set explicitly -MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'` - -# set _OEM_NASTRAN to 1 for MD Nastran build -# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable -_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}" - -# uncomment the following line for an autoforge build -#AUTOFORGE=1 -AUTOFORGE=0 -export AUTOFORGE - -# integer size -if test "$MARC_INTEGER_SIZE" = "" ; then - INTEGER_PATH= -else - INTEGER_PATH=/$MARC_INTEGER_SIZE -fi - -FCOMP=ifort - -# -# settings for Metis -# -METIS="-I$METIS_SOURCE/include" -METISLIBS="$MARC_LIB/metis.a " - -# -# settings for MPI -# -# RCP and RSH are used for parallel network runs -# replace with similar commands like rsh if needed -RCP=/usr/bin/scp -RSH=/usr/bin/ssh -# - - -MPI_DEFAULT=intelmpi -MPI_OTHER=hpmpi - -MPITYPE=$MPI_DEFAULT - -if test $AUTOFORGE -then - if test $AUTOFORGE = 1 - then - MPITYPE=none - fi -fi - - -# overrule MPITYPE setting with environmental variable MARC_MPITYPE -if test $MARC_MPITYPE -then - MPITYPE=$MARC_MPITYPE -fi - -# always set MPITYPE to none for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - MPITYPE=none -fi - -# Edit following lines to build with GPGPU version of BCS Solver for -# NVIDIA platforms -#BCSGPUSOLVER=NONE -BCSGPUSOLVER=BCSGPU - -SOLVERFLAGS= -if test "$BCSGPUSOLVER" = BCSGPU -then - SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA" - BCS_DIR=bcsgpusolver - export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH - export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH -else - BCS_DIR=bcssolver -fi -# -# settings for MPI -# -DDM= -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - FCOMPMPI=mpif90 - export MPI_ROOT=$MARC_HPMPI - export MPI_REMSH=$RSH - export MPI_F77=$FCOMP - ARCHITECTURE=linux_amd64 - DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI" - MPI_CLEAN= - export MPI_EPATH=$MARC_BIN - export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH - export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1" -# Below line is moved in run_marc file -# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN" - if test -n "$MSC_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE" - fi - if test -n "$LM_LICENSE_FILE" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE" - fi - export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x" - RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f " - RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np " - RUN_JOB0= - fi - if test $MPITYPE = intelmpi - then - INTELMPI_VERSION=HYDRA - FCOMPMPI=mpiifort - MPI_ROOT=$MARC_INTELMPI - DDM="-I${MPI_ROOT}/include64 -DDDM" - PATH=$MPI_ROOT/bin64:$PATH - export PATH - LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH - export LD_LIBRARY_PATH - if test $INTELMPI_VERSION = HYDRA - then - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall" - else - RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n " - RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile " - fi - RUN_JOB0= - MPI_CLEAN= - MPI_EPATH=$MARC_BIN - MPIR_HOME=$MPI_ROOT - MPICH_F77=$FCOMP - MPICH_F77LINKER=$FCOMP - export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER - I_MPI_PIN_DOMAIN=node - export I_MPI_PIN_DOMAIN - fi -else - MPI_ROOT=$MARC_DUMMYMPI - export MPI_ROOT=$MARC_DUMMYMPI - DDM="-I$MPI_ROOT/include" -fi - -# -# variables for the "maintain" script -# - -MACHINENAME=LINUX -MACHINE64BIT=yes -MACHINE=Linux_EM64T -DEV=/dev/tape -GETLOG="whoami" -CLEAR="clear" -MY_UNAME=`uname -a` - -# Edit following 2 lines to build with VKI Solver -#VKISOLVER=VKI -VKISOLVER=NONE - -# Edit following 2 lines to build with CASI Solver -CASISOLVER=CASI -if test "$MARC_CASISOLVER" = "NONE" ; then - CASISOLVER=NONE -fi -#CASISOLVER=NONE - -# Edit following 2 lines to build with MF2 Solver -MF2SOLVER=NONE -#MF2SOLVER=SERIAL -#MF2SOLVER=MF2PARALLEL - -# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO) -#INTELSOLVER=NONE -INTELSOLVER=PARDISO - -# Edit following lines to build with MUMPS -if test "$MARC_INTEGER_SIZE" = "i4" ; then - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -else - #MUMPSSOLVER=NONE - MUMPSSOLVER=MUMPS -fi - -# Edit following 2 lines to build MARC dynamic shared library -MARC_DLL=MARC_DLL -MARC_DLL=NONE - -# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran -if test "$_OEM_NASTRAN" -ne 0 -then - VKISOLVER=NONE - CASISOLVER=NONE - MF2SOLVER=NONE - INTELSOLVER=NONE - MUMPSSOLVER=NONE - BCSGPUSOLVER=NONE - MARC_DLL=NONE -fi - -# -# define Fortran and C compile syntax -# -if test "$VKISOLVER" = VKI -then - SOLVERFLAGS="$SOLVERFLAGS -DVKI" -fi - -if test "$CASISOLVER" = CASI -then - SOLVERFLAGS="$SOLVERFLAGS -DCASI" -fi - -if test "$MF2SOLVER" = MF2PARALLEL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL" -fi -if test "$MF2SOLVER" = MF2SERIAL -then - SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL" -fi - -if test "$INTELSOLVER" = PARDISO -then - SOLVERFLAGS="$SOLVERFLAGS -DPARDISO" -fi - -if test "$MUMPSSOLVER" = MUMPS -then - SOLVERFLAGS="$SOLVERFLAGS -DMUMPS" -fi - - -if test "$MARC_DLL" = MARC_DLL -then - SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL" -fi - -LINK_OPT= -DEBUG_OPT= -C_DEBUG_OPT= - -#Uncomment following line to build Marc in debuggable mode -MARCDEBUG= -#MARCDEBUG="ON" - -if test "$MARCDEBUG" = "ON" -then - LINK_OPT="-debug -traceback" - DEBUG_OPT="-debug -traceback" - C_DEBUG_OPT="-debug -traceback" -fi - - -MARCCHECK= -#MARCCHECK="ON" -if test "$MARCCHECK" = "ON" -then - DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv " - C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv " -fi - -MARCCODECOV= -#MARCCODECOV="ON" - -MARCCODEPROF= -#MARCCODEPROF="ON" - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - I8FFLAGS= - I8DEFINES= - I8CDEFINES= - I8CASIDEFS= -else - I8FFLAGS="-i8" - I8DEFINES="-DI64" - I8CDEFINES="-U_DOUBLE -D_SINGLE" - I8CASIDEFS="-DCASI_64BIT_INT=1" -fi - -MTHREAD=OPENMP -if test "$MARC_OPENMP" = "NONE" ; then - MTHREAD=NONE -fi -#MTHREAD=NONE -if test "$_OEM_NASTRAN" -ne 0 -then -MTHREAD=NONE -fi - -OMP_COMPAT=NO -OMP_COMPAT=YES -if test "$MTHREAD" = "NONE" -then -OMP_COMPAT=NO -fi - -CDEFINES= -FDEFINES= - -if test "$_OEM_NASTRAN" -ne 0 -then - CDEFINES="$CDEFINES -D_OEM_NASTRAN" - FDEFINES="$FDEFINES -D_OEM_NASTRAN" -fi - -FDEFINES="$FDEFINES -D_IMPLICITNONE" - -if test "$_OEM_NASTRAN" -eq 0 -then - FDEFINES="$FDEFINES -DMKL -DOPENMP" -fi - -if test "$OMP_COMPAT" = "YES" -then - FDEFINES="$FDEFINES -DOMP_COMPAT" -fi - -# -D_MSCMARC -FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT" -CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES" - -CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS" -if test "$_OEM_NASTRAN" -ne 0 -then - CINCL="$CINCL -I../../include" -fi - -CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - -if test "$MARCDEBUG" = "ON" -then - CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " - CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS " -fi - -LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel" -CCT="$CC" -CCTLOW="$CCLOW" -CCTHIGH="$CCHIGH" - -CC_CASI="$CC -std=c99 $I8CASIDEFS" -CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS" -CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS" - -CCT_CASI="$CCT -std=c99 $I8CASIDEFS" -CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS" -CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS" - -#PROFILE="-Mprof=func" -#PROFILE="-Mprof=lines" -#PROFILE="-Mprof=func,mpi" -PROFILE= -if test "$MARCCODECOV" = "ON" -then -PROFILE="-prof-gen=srcpos" -fi -if test "$MARCCODEPROF" = "ON" -then -PROFILE=" $PROFILE -pg" -fi - -FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB" -if test "$MTHREAD" = "OPENMP" -then - FORT_OPT=" $FORT_OPT -openmp" - if test "$OMP_COMPAT" = "YES" - then - FORT_OPT=" $FORT_OPT -openmp-threadprivate=compat" - fi -else -# FORT_OPT=" $FORT_OPT -auto " - FORT_OPT=" $FORT_OPT -save -zero" -fi - -FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" -FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" - -if test "$MARCDEBUG" = "ON" -then - FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS" - FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \ - -I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM" -fi - -FORTLOWT="$FORTLOW" -FORTRANT="$FORTRAN" -FORTHIGHT="$FORTHIGH" - -FORTRANMNF="$FCOMP -c $FDEFINES " -CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE" - -FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -nofor_main" -CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include" - - -BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL" -NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES " -NVCCLIB="ar rvl" -NVCCLD=icc -BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common" -BCSFORT90HIGH="$BCSFORTHIGH" -if test "$MARCDEBUG" = "ON" -then - BCSFORTRAN=$BCSFORTLOW - BCSFORTHIGH=$BCSFORTLOW - BCSFORT90HIGH=$BCSFORTLOW -fi - -if test $MPITYPE != none -then - if test $MPITYPE = hpmpi - then - LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o " - fi -# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines -# if test $MPITYPE = intelmpi -# then -# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include" -# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o " -# fi - if test $MPITYPE = intelmpi - then - LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $LINK_OPT -o " - fi -else - LOAD="$FCOMP $LINK_OPT -o " - LOADT="$FCOMP $LINK_OPT -o " -fi - -if test "$MARC_DLL" = MARC_DLL -then - FORTLOW="$FORTLOW -fpp -fPIC" - FORTRAN="$FORTRAN -fpp -fPIC" - FORTHIGH="$FORTHIGH -fpp -fPIC" - FORTRANMNF="$FORTRANMNF -fpp -fPIC" - CC="$CC -fPIC" - CCMNF="$CCMNF -fPIC" - CC_CASI="$CC_CASI -fPIC" - CCLOW_CASI="$CCLOW_CASI -fPIC" - CCHIGH_CASI="$CCHIGH_CASI -fPIC" - LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread" - LINK_MARC_DLL="-shared -fPIC" - LOAD_DLL=$LOAD - LOADT_DLL=$LOADT - EXT_DLL="so" -fi - - -XLIBS="-L/usr/X11/lib -lX11 " - -# -# define archive and ranlib syntax -# - -ARC="ar rvl" -ARD="ar dvl" -ARX="ar xl" -RAN="" - -# -# choose which libraries you want to use ( e.g. blas ) -# - -if test "$VKISOLVER" = VKI -then - VKISOLVERLIBS="$MARC_LIB/vkisolver.a" -else - VKISOLVERLIBS= -fi - -if test "$CASISOLVER" = CASI -then - CASISOLVERLIBS="$MARC_CASI/casilib.a" -else - CASISOLVERLIBS= -fi - -MF2SOLVERLIBS= -if test "$MF2SOLVER" = MF2PARALLEL -then - MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \ - $MARC_LIB/mf2parallel/libsym.a \ - $MARC_LIB/mf2parallel/libmet.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libmf2.a \ - $MARC_LIB/mf2parallel/libgauss.a \ - $MARC_LIB/mf2parallel/libnum.a \ - $MARC_LIB/mf2parallel/libutl.a \ - $MARC_LIB/mf2parallel/libr8.a \ - $MARC_LIB/mf2parallel/libz.a " -fi - -if test "$INTELSOLVER" = PARDISO -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_lp64.a" - else - INTELSOLVERLIBS="$MARC_MKL/libmkl_solver_ilp64.a" - fi -else - INTELSOLVERLIBS= -fi - -if test "$MUMPSSOLVER" = MUMPS -then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a" - if test $MPITYPE = none - then - MUMPSSOLVERLIBS2= - echo hello > /dev/null - fi - if test $MPITYPE = intelmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a " - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a " - fi - fi - if test $MPITYPE = hpmpi - then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a" - else - MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a" - fi - fi -else - MUMPSSOLVERLIBS= - MUMPSSOLVERLIBS2= -fi - -if test "$BCSGPUSOLVER" = BCSGPU -then - BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a " - MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda " - MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda " - MARCCUDALIBS=$MARCCUDALIBS1 - CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda " -else - BCSSOLVERLIBS="${MARC_LIB}/bcslib.a " -fi - -if test "$MARC_INTEGER_SIZE" = "i4" ; then - MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group" -else - MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a -Wl,--end-group" -fi - -SECLIBS="-L$MARC_LIB -llapi" - -SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${INTELSOLVERLIBS} ${MF2SOLVERLIBS} ${MUMPSSOLVERLIBS2} \ - $MKLLIB -L$MARC_MKL -liomp5 \ - $MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a " - -SOLVERLIBS_DLL=${SOLVERLIBS} - -MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}" -MRCLIBSPAR="$MARC_LIB/clib.a" -STUBS="$MARC_LIB/stubs.a " -MNFLIBS="$MARC_LIB/libmnf.a" -MDUSER="$MARC_LIB/md_user.a" - -OPENMP="-openmp" - -SYSLIBS=" $OPENMP -lpthread -shared-intel " - -# Uncomment the following lines to turn on the trace and comment out the next 4 lines -# if test $MPITYPE = intelmpi -# then -# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \ -# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt" -# fi -if test $MPITYPE = intelmpi -then - SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt $OPENMP -threads -lpthread -shared-intel " -fi - -SYSLIBSPAR=" " - -MARC_DLL_CODES="runmarc.f" - - -BLAS_SRC="dzero.f icopy.f izero.f" -if test "$_OEM_NASTRAN" -ne 0 -then - if test "$MARC_INTEGER_SIZE" = "i4" ; then - BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f" - else - BLAS_SRC="ALL" - fi -fi - -LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \ - omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \ - elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \ - cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \ - inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f" -if test "$MARC_INTEGER_SIZE" = "i8" ; then - LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f" -fi -LOW_OPT_CODES_CASI="" - -HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \ - dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \ - dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f " - - -HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c" - -MAXNUM=1000000 diff --git a/installation/mods_MarcMentat/2015/Marc_tools/run_damask b/installation/mods_MarcMentat/2015/Marc_tools/run_damask deleted file mode 100644 index ef792247a..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/run_damask +++ /dev/null @@ -1,4135 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo This option is deprecated. As of Marc 2015, only # -# the integer*8 version is available. # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -modeerror= -modeoption= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $DIRSCRIPT/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $DIRSCRIPT/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $HOME/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $HOME/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - modeerror="bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - modeoption=error - echo $modeerror - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i8" - echo " " - echo " use -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$modeoption" -then - error=$modeerror -fi - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; 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then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRAN $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRAN $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_h b/installation/mods_MarcMentat/2015/Marc_tools/run_damask_h deleted file mode 100644 index b77e80157..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_h +++ /dev/null @@ -1,4135 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo This option is deprecated. As of Marc 2015, only # -# the integer*8 version is available. # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -modeerror= -modeoption= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $DIRSCRIPT/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $DIRSCRIPT/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $HOME/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $HOME/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - modeerror="bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - modeoption=error - echo $modeerror - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i8" - echo " " - echo " use -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - echo - echo warning: the option -mo is deprecated, as of Marc 2015, only the integer*8 version is available - echo - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -# getting user subroutine file name -found=0 -for i in "$@"; do - if test $found = 1; then - DAMASK_USER=$i - found=0 - fi - case $i in - -u* | -U*) - found=1 - ;; - esac -done -# sourcing include_linux64 (needs DAMASK_USER to be set) -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" -fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $user -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$modeoption" -then - error=$modeerror -fi - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_h $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_h $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGH $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGH $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_hmp b/installation/mods_MarcMentat/2015/Marc_tools/run_damask_hmp deleted file mode 100644 index 270e78f17..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_hmp +++ /dev/null @@ -1,4135 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo This option is deprecated. As of Marc 2015, only # -# the integer*8 version is available. # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -modeerror= -modeoption= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $DIRSCRIPT/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $DIRSCRIPT/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $HOME/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $HOME/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - modeerror="bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - modeoption=error - echo $modeerror - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i8" - echo " " - echo " use -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - echo - echo warning: the option -mo is deprecated, as of Marc 2015, only the integer*8 version is available - echo - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -# getting user subroutine file name -found=0 -for i in "$@"; do - if test $found = 1; then - DAMASK_USER=$i - found=0 - fi - case $i in - -u* | -U*) - found=1 - ;; - esac -done -# sourcing include_linux64 (needs DAMASK_USER to be set) -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; 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-# * ) -# echo \ -#" " -# ;; -esac - -if test "$modeoption" -then - error=$modeerror -fi - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_hmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTHIGHMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTHIGHMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_l b/installation/mods_MarcMentat/2015/Marc_tools/run_damask_l deleted file mode 100644 index 87c63f05a..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_l +++ /dev/null @@ -1,4135 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo This option is deprecated. As of Marc 2015, only # -# the integer*8 version is available. # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -modeerror= -modeoption= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $DIRSCRIPT/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $DIRSCRIPT/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $HOME/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $HOME/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - modeerror="bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - modeoption=error - echo $modeerror - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i8" - echo " " - echo " use -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - echo - echo warning: the option -mo is deprecated, as of Marc 2015, only the integer*8 version is available - echo - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -# getting user subroutine file name -found=0 -for i in "$@"; do - if test $found = 1; then - DAMASK_USER=$i - found=0 - fi - case $i in - -u* | -U*) - found=1 - ;; - esac -done -# sourcing include_linux64 (needs DAMASK_USER to be set) -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; 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-# * ) -# echo \ -#" " -# ;; -esac - -if test "$modeoption" -then - error=$modeerror -fi - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_l $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_l $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOW $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOW $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_lmp b/installation/mods_MarcMentat/2015/Marc_tools/run_damask_lmp deleted file mode 100644 index 9c10c5229..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_lmp +++ /dev/null @@ -1,4135 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo This option is deprecated. As of Marc 2015, only # -# the integer*8 version is available. # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -modeerror= -modeoption= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $DIRSCRIPT/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $DIRSCRIPT/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $HOME/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $HOME/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - modeerror="bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - modeoption=error - echo $modeerror - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i8" - echo " " - echo " use -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - echo - echo warning: the option -mo is deprecated, as of Marc 2015, only the integer*8 version is available - echo - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -# getting user subroutine file name -found=0 -for i in "$@"; do - if test $found = 1; then - DAMASK_USER=$i - found=0 - fi - case $i in - -u* | -U*) - found=1 - ;; - esac -done -# sourcing include_linux64 (needs DAMASK_USER to be set) -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; 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-# * ) -# echo \ -#" " -# ;; -esac - -if test "$modeoption" -then - error=$modeerror -fi - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_lmp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTLOWMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTLOWMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_mp b/installation/mods_MarcMentat/2015/Marc_tools/run_damask_mp deleted file mode 100644 index 5f34b18f5..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/run_damask_mp +++ /dev/null @@ -1,4135 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo This option is deprecated. As of Marc 2015, only # -# the integer*8 version is available. # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -modeerror= -modeoption= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $DIRSCRIPT/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $DIRSCRIPT/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $HOME/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $HOME/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - modeerror="bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - modeoption=error - echo $modeerror - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i8" - echo " " - echo " use -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - echo - echo warning: the option -mo is deprecated, as of Marc 2015, only the integer*8 version is available - echo - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -# getting user subroutine file name -found=0 -for i in "$@"; do - if test $found = 1; then - DAMASK_USER=$i - found=0 - fi - case $i in - -u* | -U*) - found=1 - ;; - esac -done -# sourcing include_linux64 (needs DAMASK_USER to be set) -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usernoext= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - if test ! -f $user - then - error="$error -user subroutine file $user not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; 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-# * ) -# echo \ -#" " -# ;; -esac - -if test "$modeoption" -then - error=$modeerror -fi - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($user)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=$value - case $user in - \/*) - ;; - *) - user=`pwd`/$user - ;; - esac - usernoext=$user - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for` - usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90` - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# -# add DAMASK options for linking - DAMASK="-lstdc++" - - if test "$user" - then - program=$usernoext.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$usernoext.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$usermoext.o - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_damask_mp $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user on host `hostname`" - fi - userobj=$usernoext.o - if test $MACHINENAME = "CRAY" - then - $DFORTRANMP $user || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $DFORTRANMP $user -o $userobj || \ - { - echo "$0: compile failed for $user" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $DAMASK \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null -/bin/rm $DIRJOB/*.mod 2>/dev/null -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi -fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=$usernoext - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2015/Marc_tools/run_marc.original b/installation/mods_MarcMentat/2015/Marc_tools/run_marc.original deleted file mode 100644 index 394cb874b..000000000 --- a/installation/mods_MarcMentat/2015/Marc_tools/run_marc.original +++ /dev/null @@ -1,4218 +0,0 @@ -#!/bin/ksh -############################################################################## -# # -# run_marc - run a marc job # -# ------------------------- # -# # -# usage: run_marc -j jid { options } # -# # -# where standard options are: required: defaults: # -# -------------------------- # -# # -# -j* jid job id number. ** YES ** . # -# -pr* prog program name. . marc # -# -v* y|n do or do not verify inputs. . yes # -# -q* s|l|v|b|f batch queue name or background, . short # -# foreground. # -# -b* as alternative to option -q* # -# # -# ( batch queues only : # -# -pq* intra queue priority. . . # -# -at DATE/TIME delay start of job. . . # -# format : January,1,1990,12:31 # -# or : today,5pm # -# -cpu* secs job CPU limit . . ) # -# # -# -r* rid restart file job id. . . # -# -si* sid substructure file id. . . # -# -pi* post post file job id. . . # -# -de* did defaults file . no # -# -vf vid viewfactor . no # -# # -# -u* user user subroutine. . . # -# -obj obj user objects or libraries. . . # -# -sa* y|n do or do not save load module. . no # -# -autorst auto restart flag for auto forge . no # -# -me manual remeshing control . no # -# -ml memory limit in Mbyte # -# -mo This option is deprecated. As of Marc 2015, only # -# the integer*8 version is available. # -# -mpi selects MPI version # -# each platform has a default MPI version and some # -# have an alternative version. see the include file # -# for the respective platform # -# MPI_DEFAULT defines the default MPI version # -# MPI_OTHER defines versions one can switch to # -# -dcoup for contact decoupling # -# currently not supported # -# -dir directory where the job i/o should take place. # -# defaults to current directory. # -# -sdir directory where scratch files are created # -# defaults to current directory. # -# # -# -alloc only perform memory allocation test, no analysis # -# -list y only list options in the input file, no analysis # -# -fe num set feature number "num" for the run. only one allowed # -# -dytran flag to switch from Dytran to Marc # -# dytran = 0, program will run w/o Marc-Dytran Switch # -# = 1, program will restart Marc after Dytran run # -# >= 2, Not supported yet. # -# currently not supported # -# -ou force analysis to use out-of-core control # -# =0, not used # -# =1, element storage out-of-core # -# -dll run marc using shared library libmarc.so and exe_marc # -# =1, used # -# =2, do not free streaming input memory # -# =3, run with marc input deck # -# -trk run marc for post-tracking # -# -gpuid run marc using GPGPU capability # -# specify gpuid on to be used in the analysis. Multiple # -# IDs may be assigned for DDM runs. # -# Separate a list of IDs with a colon. Each DMP # -# process will be assigned a GPU ID in round robin fastion# -# = 0 # -# = 0:1 etc... # -# # -# where parallel options are: # -# -------------------------- # -# # -# itree, host, and comp options are available for the domain # -# decomposition only. # -# MARC_NUMBER_OF_THREADS, nthread, and dir options always available. # -# # -# # -# -nprocd number of domains. # -# defaults to single domain solution. # -# -nprocds number of domains if single input file. # -# defaults to single domain solution. # -# -nps same as -nprocds. # -# -nsolver number of solver tasks for solver types 12 and 13 # -# these are distributed tasks operating via MPI # -# -nthread_elem number of threads for element assembly and recovery # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by element assembly # -# recovery. # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_elem option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_elem specified. # -# -nthread_solver number of threads for solver types 6, 8, and 11 # -# = 0: use defaults. # -# defaults to 1 for single domain solution. # -# defaults to number of domains for multi-domain # -# solution. # -# > 1: number of threads to be used by 6, 8, and 11 # -# Also can be set through MARC_NUMBER_OF_THREADS # -# environment variable. # -# if both specified, -nthread_solver option will be used. # -# defaults if neither MARC_NUMBER_OF_THREADS environment # -# variable set nor -nthread_solver specified. # -# -nthread Same as -nthread_solver. # -# -itree message passing tree type for domain decomposition. # -# for debugging purposes; should not normally be used. # -# -host hostfile name for distributed execution on network. # -# defaults to no hostfile, unless jobid.defhost exists. # -# if jobid.defhost exists, only -np(s) necessary # -# -comp* y|n to be used with user routines on a network of # -# incompatible machines. # -# if set to no, a separate executable will be created # -# for each machine on the network. # -# if set to yes, the executable located on the machine # -# from which marc is started will be used on all machines.# -# defaults to no if O/S versions different on machines. # -# # -# -ci y|n copy input files to remote hosts (default: yes) # -# if "yes", input files are automatically copied to # -# remote hosts for a network run if necessary. # -# -cr y|n copy post files from remote hosts (default: yes) # -# if "yes", post files are automatically copied back from # -# remote hosts for a network run if necessary. # -############################################################################## -# set DIR to the directory in which this script is -REALCOM="`/bin/ls -l $0 |awk '{ print $NF; }'`" -DIR=`dirname $REALCOM` -# make sure DIR has an absolute path -case $DIR in - \/*) - ;; - *) - DIR=`pwd`/$DIR - ;; -esac -DIRSCRIPT=$DIR -AWK=awk -ARCH=`uname -a | cut -f 1 -d " "` -# Sun has a bad awk, use nawk instead -if test $ARCH = "SunOS" -then - AWK=nawk -fi -BASENAME=basename -# Sun has an incorrect /bin/basename, check if /usr/ucb/basename exists -if test $ARCH = "SunOS" -then - if test -x /usr/ucb/basename - then - BASENAME=/usr/ucb/basename - fi -fi - -# echo command line in the case of ECHO_COMMAND is true -if test "$ECHO_COMMAND" = true ; then - echo command "$0" "$@" -fi - -# -# "mode" selects version, i4 or i8 -# default is i4 -# this can be changed by a file run_marc_defaults -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MODE i8 -# it can also be set by the environmental variable MARC_INTEGER_SIZE -# and by the command line option "-mo" -# -mode= -modeerror= -modeoption= -if test -f $DIRSCRIPT/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $DIRSCRIPT/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $DIRSCRIPT/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $DIRSCRIPT/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -f $HOME/run_marc_defaults; then - line=`$AWK '{if ($1 == "MARC_MODE") {print $1}}' $HOME/run_marc_defaults` - if test "$line" = "MARC_MODE"; then - echo - echo warning: the option MARC_MODE is deprecated, as of Marc 2015, only the integer*8 version is available - echo - line= - fi - line=`$AWK '{if ($1 == "MARC_MODE") {print $2}}' $HOME/run_marc_defaults` - line=`echo $line | $AWK '{print $NF}'` - if test "$line" = "i4"; then - modeerror="defaults file $HOME/run_marc_defaults used mode $line ; this must be i8" - modeoption=error - echo $modeerror - fi - if test "$line" = "i8"; then - mode=i8 - fi -fi -if test -n "$MARC_INTEGER_SIZE" ; then - mode=$MARC_INTEGER_SIZE -fi -if test -z "$mode" ; then - mode=i8 -fi -case $mode in - i4) - modeerror="bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - modeoption=error - echo $modeerror - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo "bad value for MARC_INTEGER_SIZE variable; only i8 is supported." - exit - ;; -esac - -setmode=false -for arg in $* ; do - if $setmode ; then - mode=$arg - case $mode in - i4) - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - ;; - i8) - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - ;; - *) - echo " " - echo "error, version mode must be i8" - echo " " - echo " use -mo i8 " - echo " " - exit - ;; - esac - setmode=false - fi - if [ ${arg}X = -moX -o ${arg}X = -MOX ] ; then - echo - echo warning: the option -mo is deprecated, as of Marc 2015, only the integer*8 version is available - echo - setmode=true - fi - if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; then - MARC_INTEGER_SIZE=i8 - export MARC_INTEGER_SIZE - fi - if [ ${arg}X = -i4X -o ${arg}X = -I4X ] ; then - modeerror="bad value for mode option; only i8 is supported." - modeoption=error - echo - echo $modeerror - echo - fi -done - -# set to i4 version for 32 bit Linux -if test "`uname -s`" = "Linux"; then - if test "`uname -m`" = "i686"; then - mode=i4 - MARC_INTEGER_SIZE=i4 - export MARC_INTEGER_SIZE - fi -fi - - -. "$DIR/getarch" - -. $MARC_INCLUDE -# - -# -# Dynamically determine the echo syntax -# - -case "`echo '\c'`" in - '\c') - ECHO='echo -n' - ECHOTXT=' ' - ;; - *) - ECHO='echo' - ECHOTXT=' \c' - ;; -esac - -# -# Variables for the MARC environment -# - -PRODUCT="Marc" -EXITMSG=$MARC_TOOLS/MESSAGES -export EXITMSG -FLEXDIR=$DIR/../flexlm/licenses -export FLEXDIR -TIMCHK=3600 -export TIMCHK -BINDIR=$MARC_BIN -export BINDIR -AFMATDAT=$MARC_RUNTIME/AF_flowmat/ -export AFMATDAT -# -# define directory path to global unified material database -# -MATFILE= -export MATFILE - -# -# define memory limit -# first set to MEMLIMIT from include -# -ml option overrules if specified -memlimit=$MEMLIMIT -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -# -if test $MACHINENAME = "HP" -then - SHLIB_PATH=$MARC_LIB:$MARC_LIB_SHARED:$SHLIB_PATH - export SHLIB_PATH -fi -# the one for IBM is defined futher down - -LD_LIBRARY_PATH=$MARC_LIB_SHARED:$LD_LIBRARY_PATH -LD_LIBRARY_PATH=$MARC_LIB:$LD_LIBRARY_PATH -LD_LIBRARY64_PATH=$MARC_LIB:$LD_LIBRARY64_PATH -LD_LIBRARYN32_PATH=$MARC_LIB:$LD_LIBRARYN32_PATH -export LD_LIBRARY_PATH -export LD_LIBRARY64_PATH -export LD_LIBRARYN32_PATH - -atexit() { -kill -15 $$ -# -if test $MPITYPE = "myrinet" -then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi -fi -} - -trap "atexit" 2 - -# -# defaults -# - -prog=marc -exefile=marc -jid= -rid= -pid= -sid= -did= -vid= -user= -usersubname= -objs= -qid=background -cpu= -priority= -att= -trk= -verify=yes -prgsav=no -rmdll=no -cpdll=no -progdll= -pathdll= -error= -nprocd=0 -nprocdddm=1 -nprocdddmprint= -icreated=0 -nprocdarg= -nsolver=0 -nsolverarg=-ns -if test $nprocds -then - if test $nprocds -gt 1 - then - nprocdddm=$nprocds - nprocdddmprint=$nprocds - icreated=1 - nprocdarg=-nprocds - fi -fi -ntprint=0 -nt=-1 -nte=-1 -nts=-1 -ntarg=-nt -ntearg=-nte -ntsarg=-nts -nteprint= -ntsprint= -gpuids= -nauto=0 -ndcoup=0 -ndytran=0 -noutcore=0 -dllrun=0 -mesh=0 -itree=0 -iam= -link= -trkrun=0 -DIRJOB=`pwd` -DIRSCR=$DIRJOB -DIRSCRSET= -autoforge=0 -dotdat=.dat -dotdefhost=.defhost -host= -numhost= -mfile= -userhost= -makebdf= -cpinput=yes -cpresults=yes -marcdll=libmarc.$EXT_DLL -# define hostname and strip off extensions (alpha.aaa.com) -thishost=`hostname` -thishost=${thishost%%.*} -compatible=unknown -numfield=1 -justlist= -feature= -mpioption=false -MDSRCLIB=$MARC_LIB/mdsrc.a -# -# check run_marc_defaults file for default MPI setting -# located in the tools directory of the Marc installation -# or in the user's home directory -# format: -# MARC_MPI -# -value= -file= -if test -f $DIRSCRIPT/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $DIRSCRIPT/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$DIRSCRIPT/run_marc_defaults - fi -fi -if test -f $HOME/run_marc_defaults; then - value=`$AWK '{if ($1 == "MARC_MPI") {print $2}}' $HOME/run_marc_defaults` - value=`echo $value | $AWK '{print $NF}'` - if test -n "$value"; then - file=$HOME/run_marc_defaults - fi -fi -if test -n "$value"; then - MARC_MPITYPE=$value - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - echo " " - echo " error, incorrect option for MARC_MPI" - echo " defined in $file: $MARC_MPITYPE" - echo " valid options: $MPI_DEFAULT $MPI_OTHER" - echo " " - exit - fi - if test "$value" != "$MPI_DEFAULT"; then - exefile=marc_$value - . $MARC_INCLUDE - MDSRCLIB=$MARC_LIB/mdsrc.a_$value - if test "$MUMPSSOLVER" = MUMPS; then - MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a_$value" - fi - fi -fi -# -# -# allow scratch directory to be specified with environmental variable -# MARCSCRATCH -if test $MARCSCRATCH -then - if test -d $MARCSCRATCH - then - DIRSCR=$MARCSCRATCH - else - echo "error, scratch directory '$MARCSCRATCH'" - echo " specified via environmental variable MARCSCRATCH does not exist" - exit - fi -fi -# -############################################################################## -# parse input - arguments always come in pairs # -############################################################################## - -arg=$1 -if [ ${arg}X = -i8X -o ${arg}X = -I8X ] ; 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then - gpuoption= -else - gpuoption="-gp $gpuids" -fi - -if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH -else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH -fi -# Linux 64 + HPMPI, Below code is taken from include_linux64 -if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" -then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" -fi - -if test $nprocd -gt 1; then - if test -f $jid$dotdefhost; then - if test "$host" = ""; then - host=$jid$dotdefhost - fi - fi - if test -f hostfile_qa_$nprocd; then - if test "$host" = ""; then - host=hostfile_qa_$nprocd - fi - fi -fi - -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$dllrun" -eq 1 || test "$dllrun" -eq 2; then - dotdat=.inp - fi - - if test "$progdll"; then - /bin/cp ${progdll}_$marcdll $DIRJOB/$marcdll - rmdll=yes - pathdll=yes - progdll=${progdll}_$marcdll - else - progdll=$marcdll - fi - - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - pathdll=yes - fi -fi - -############################################################################## -# check parameter validity # -############################################################################## - -while test forever; do - -# -# check for input file existence -# -if test $nprocdddm -gt 1 -a $icreated -eq 0; then - if test ! -f $DIRJID/1$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/1$jid$dotdat not accessible" - fi - fi -else - if test ! -f $DIRJID/$jid$dotdat; then - if test "$jid" != "" ; then - error="$error -input file $DIRJID/$jid$dotdat not accessible" - fi - fi -fi - if test $nprocd -gt 1; then - if test "$host" ; then - if test ! -f $host; then - error="$error -host name file $host not accessible" - fi - fi - fi - -# -# check if the job is already running in the background -# -if test -f $DIRJOB/$jid.pid; then - error="$error -job is already running (the file $jid.pid exists)" -fi - -# -# if the program name is other than marc, then -# assume that this is a program in the users local directory -# - -bd=$MARC_BIN/ - -case $prog in - marc | MARC | $exefile) - program=$exefile - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 or $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$usersubname" - then - if test ! -f $usersubname - then - error="$error -user subroutine file $usersubname not accessible" - fi - fi - if test "$objs" - then - missingobjs= - for o in $objs - do - if test ! -f "$o" - then - if test -z "$missingobjs" - then - missingobjs="$o" - else - missingobjs="$missingobjs $o" - fi - fi - done - if test -n "$missingobjs" - then - error="$error -user object/library file(s) $missingobjs not accessible" - fi - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$vid" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRVID/1$vid.vfs - then - error="$error -view factor file $DIRVID/1$vid.vfs not accessible" - fi - else - if test ! -f $DIRVID/$vid.vfs - then - error="$error -view factor file $DIRVID/$vid.vfs not accessible" - fi - fi - fi - if $mpioption - then - notok=true - for i in "$MPI_OTHER"; do - if test "$MARC_MPITYPE" = "$i"; then - notok=false - fi - done - if test "$MARC_MPITYPE" = "$MPI_DEFAULT"; then - notok=false - fi - if $notok; then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE (valid: $MPI_OTHER)" - fi - fi - ;; - *) - program=$prog.marc - case $prog in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - if test "$rid" - then - if test ! -f $DIRRID/$rid.t08 - then - error="$error -restart file $DIRRID/$rid.t08 not accessible" - fi - fi - if test "$pid" - then - if test ! -f $DIRPID/$pid.t16 - then - if test ! -f $DIRPID/$pid.t19 - then - error="$error -post file $DIRPID/$pid.t16 and $DIRPID/$pid.t19 not accessible" - fi - fi - fi - if test "$user" - then - error="$error -program option may not be used with user subroutine" - fi - if test "$objs" - then - error="$error -program option may not be used with user objects or libraries" - fi - if test "$did" - then - if test $nprocdddm -gt 1 -a $icreated -eq 0 - then - if test ! -f $DIRDID/1$did$dotdat - then - error="$error -defaults file $DIRDID/1$did$dotdat not accessible" - fi - else - if test ! -f $DIRDID/$did$dotdat - then - error="$error -defaults file $DIRDID/$did$dotdat not accessible" - fi - fi - fi - if test "$nauto" - then - if test $nauto -gt 2 - then - error="$error -incorrect option for auto restart " - fi - fi - if test "$ndcoup" - then - if test $ndcoup -gt 3 - then - error="$error -incorrect option for contact decoupling " - fi - fi - if test "$ndytran" - then - if test $ndytran -gt 1 - then - error="$error -incorrect option for Marc-Dytran Switch " - fi - fi - if $mpioption - then - if test ! -x $MARC_BIN/$exefile - then - error="$error -incorrect option for -mpi option: $MARC_MPITYPE " - fi - fi - ;; -esac - -############################################################################## -# check argument integrity # -############################################################################## - -if test "$jid" -then - : -else - if test "$user" - then -# allow user sub without giving job id - qid=foreground - verify=no - else - error="$error -job id required" - fi -fi - -if test $nprocd -gt 1 -then - if test $nauto -gt 0 - then - error="$error -cannot run DDM job with auto restart (-au) option " - fi -fi -case $qid in - S* | s*) - qid=short - ;; - L* | l*) - qid=long - ;; - V* | v*) - qid=verylong - ;; - B* | b*) - qid=background - ;; - F* | f*) - qid=foreground - ;; - A* | a*) - qid=at - ;; - *) - error="$error -bad value for queue_id option" - ;; -esac - -case $prgsav in - N* | n*) - prgsav=no - ;; - Y* | y*) - prgsav=yes - ;; - *) - error="$error -bad value for save option" - ;; -esac - -case $verify in - N* | n*) - verify=no - ;; - Y* | y*) - verify=yes - ;; - *) - error="$error -bad value for verify option" - ;; -esac - -case $nprocdddm in - -* ) - error="$error -bad value for nprocd option" - ;; -esac - -case $nt in - -* ) - error="$error -bad value for nt option" - ;; -esac - -case $itree in - -* ) - error="$error -bad value for itree option" - ;; -esac -case $iam in - -* ) - error="$error -bad value for iam option" - ;; -esac -case $compatible in - N* | n*) - compatible=no - ;; - Y* | y*) - compatible=yes - ;; - unknown) - ;; - *) - error="$error -bad value for comp option" - ;; -esac -case $cpinput in - N* | n*) - cpinput=no - ;; - Y* | y*) - cpinput=yes - ;; - *) - error="$error -bad value for copy input option" - ;; -esac -case $cpresults in - N* | n*) - cpresults=no - ;; - Y* | y*) - cpresults=yes - ;; - *) - error="$error -bad value for copy results option" - ;; -esac - -# -# check for external file to run -# -if test -f $MARC_TOOLS/run_marc_check -then - . $MARC_TOOLS/run_marc_check -fi - -# -# pick up version data from bin/VERSION if it exists -# -if test -f $MARC_BIN/VERSION; then - ppp=`grep "version" $MARC_BIN/VERSION | cut -f 2- -d ":"` - if test -n "$ppp" ;then - PRODUCT=$ppp - fi - ppp=`grep "built at changelist" $MARC_BIN/VERSION | cut -f 2 -d ":"` - if test -n "$ppp" ;then - REVISION=", Build $ppp" - fi -fi -############################################################################## -# interact with the user to get the required information to run marc or # -# other marc system program # -############################################################################## - -deletelog=yes -if test $qid = background -a $verify = no -then -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $usersubname -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto " > $jid.log -deletelog=no -fi -echo \ -" -$PRODUCT $REVISION $MACHINE version ------------------------------ -Program name : $prog -Marc shared lib : $progdll -Version type : $mode -Job ID : $DIRJID/$jid -User subroutine name : $usersubname -User objects/libs : $objs -Restart file job ID : $rid -Substructure file ID : $sid -Post file job ID : $pid -Defaults file ID : $did -View Factor file ID : $vid -Save generated module: $prgsav -MPI library : $MPITYPE -DDM processes : $nprocdddmprint -Element loop threads : $nteprint -Solver processes : $nsolverprint -Solver threads : $ntsprint -GPGPU option : $gpuids -Host file name : $host -Message passing type : $itree -Run job in queue : $qid -Run directory : $DIRJOB -Scratch directory : $DIRSCR -Memory limit in Mbyte: $memlimit -Auto Restart : $nauto" - - -case $qid in - s* | S* | l* | L* | v* | V* ) - echo \ -"Queue priority : $priority -Queue CPU limit : $cpu -Queue start time : $att" - ;; -# * ) -# echo \ -#" " -# ;; -esac - -if test "$modeoption" -then - error=$modeerror -fi - -if test "$error" -then - if test $verify = yes - then - $ECHO "$error - -Please correct or quit(correct,quit,): $ECHOTXT" - error= - read answer - case $answer in - q* | Q*) - answer=quit - ;; - *) - answer=correct - ;; - esac - else - $ECHO "$error - $ECHOTXT" - echo " " - if test "$deletelog" = no - then - $ECHO "$error - $ECHOTXT" >> $jid.log - echo " " >> $jid.log - fi - answer=quit - fi -else - if test $verify = yes - then - $ECHO " -Are these parameters correct (yes,no,quit,)? $ECHOTXT" - read answer - case $answer in - q* | Q*) - answer=quit - ;; - y* | Y*) - answer=yes - ;; - *) - answer=no - ;; - esac - else - answer=yes - fi -fi - -case $answer in - no | correct) - -############################################################################## -# prompt for each value # -############################################################################## - - $ECHO " -Program name ($prog)? $ECHOTXT" - read value - if test "$value" - then - prog=$value - fi - $ECHO "Job ID ($jid)? $ECHOTXT" - read value - if test "$value" - then - jid=`$BASENAME $value $dotdat` - DIRJID=`dirname $value` - case $DIRJID in - \/*) - ;; - *) - DIRJID=`pwd`/$DIRJID - ;; - esac - fi - $ECHO "User subroutine name ($usersubname)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - user= - ;; - *) - user=`dirname $value`/`$BASENAME $value .f` - usersubname=$user - basefile=`$BASENAME $value` - if test ${basefile##*.} = f - then - user=`dirname $value`/`$BASENAME $value .f` - usersubname=$user.f - elif test ${basefile##*.} = F - then - user=`dirname $value`/`$BASENAME $value .F` - usersubname=$user.F - elif test ${basefile##*.} = f90 - then - user=`dirname $value`/`$BASENAME $value .f90` - usersubname=$user.f90 - elif test ${basefile##*.} = F90 - then - user=`dirname $value`/`$BASENAME $value .F90` - usersubname=$user.F90 - fi - case $user in - \/*) - ;; - *) - user=`pwd`/$user - usersubname=`pwd`/$usersubname - ;; - esac - if test ! -f $usersubname - then - if test -f $usersubname.f - then - usersubname=$usersubname.f - elif test -f $usersubname.F - then - usersubname=$usersubname.F - elif test -f $usersubname.f90 - then - usersubname=$usersubname.f90 - elif test -f $usersubname.F90 - then - usersubname=$usersubname.F90 - fi - fi - ;; - esac - fi - $ECHO "User objects or libraries ($objs)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - objs= - ;; - *) - objs="$value" - ;; - esac - fi - $ECHO "Restart File Job ID ($rid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - rid= - ;; - *) - rid=`$BASENAME $value .t08` - DIRRID=`dirname $value` - case $DIRRID in - \/*) - ;; - *) - DIRRID=`pwd`/$DIRRID - ;; - esac - ;; - esac - fi - $ECHO "Substructure File ID ($sid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - sid= - ;; - *) - sid=$value - DIRSID=`dirname $value` - case $DIRSID in - \/*) - ;; - *) - DIRSID=`pwd`/$DIRSID - ;; - esac - ;; - esac - fi - $ECHO "Post File Job ID ($pid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - pid= - ;; - *) - pid=$value - DIRPID=`dirname $value` - case $DIRPID in - \/*) - ;; - *) - DIRPID=`pwd`/$DIRPID - ;; - esac - ;; - esac - fi - $ECHO "Defaults File ID ($did)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - did= - ;; - *) - did=`$BASENAME $value $dotdat` - DIRDID=`dirname $value` - case $DIRDID in - \/*) - ;; - *) - DIRDID=`pwd`/$DIRDID - ;; - esac - ;; - esac - fi - $ECHO "View Factor File ID ($vid)? $ECHOTXT" - read value - if test "$value" - then - case $value in - -*) - vid= - ;; - *) - vid=`$BASENAME $value .vfs` - DIRVID=`dirname $value` - case $DIRVID in - \/*) - ;; - *) - DIRVID=`pwd`/$DIRVID - ;; - esac - ;; - esac - fi - $ECHO "Save generated module ($prgsav)? $ECHOTXT" - read value - if test "$value" - then - prgsav=$value - fi - $ECHO "Run on tasks ($nprocdddm) tasks? $ECHOTXT" - read value - if test "$value" - then - nprocdddm=$value - nprocdddmprint=$value - fi - $ECHO "Run on ($nte) Element loop threads ? $ECHOTXT" - read value - if test "$value" - then - nte=$value - fi - $ECHO "Run on ($nsolver) solvers ? $ECHOTXT" - read value - if test "$value" - then - nsolver=$value - fi - $ECHO "Run on ($nts) Solver threads ? $ECHOTXT" - read value - if test "$value" - then - nts=$value - fi -# - if test $nprocdddm -gt 0 - then - nprocd=$nprocdddm - fi - if test $nsolver -gt 0 - then - if test $nsolver -gt $nprocd - then - nprocd=$nsolver - fi - fi -# Element loop threads. - if test $nte -eq -1 - then - nte=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nte -lt 0 - then - nte=0 - fi - nteprint=$nte -# Copy from ddm - if test $nprocdddm -gt 1 - then - nteprint=$nprocdddm - fi -# override with -nthread_elem option - if test $nte -ne 0 - then - nteprint=$nte - fi -# check for minimum 1 threads per processes for DDM - if test $nprocdddm -ne 0 - then - if test $nteprint -lt $nprocdddm - then - nteprint=$nprocdddm - fi - fi - nte=$nteprint -# Solver threads. - if test $nts -eq -1 - then - nts=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nts -lt 0 - then - nts=0 - fi - ntsprint=$nts -# Copy from ddm - if test $nprocdddm -gt 1 - then - ntsprint=$nprocdddm - fi -# override with -nthread_solver option - if test $nts -ne 0 - then - ntsprint=$nts - fi -# check for minimum 1 threads per solver process. - if test $nsolver -lt $nprocdddm - then - if test $ntsprint -lt $nsolver - then - ntsprint=$nsolver - fi - else - if test $ntsprint -lt $nprocdddm - then - ntsprint=$nprocdddm - fi - fi - if test $ntsprint -eq 1 - then - set ntsprint=0 - fi - nts=$ntsprint - $ECHO "GPGPU id option ($gpuids)? $ECHOTXT" - read value - if test "$value" - then - gpuids=$value - fi - if test "$gpuids" = "" ; then - gpuoption= - else - gpuoption="-gp $gpuids" - fi - if test "$gpuids" = "" ; then - export LD_LIBRARY_PATH=$CUDALIB1:$LD_LIBRARY_PATH - else - MARCCUDALIBS=$MARCCUDALIBS2 - export LD_LIBRARY_PATH=$CUDALIB2:$LD_LIBRARY_PATH - fi - if test $MPITYPE = hpmpi -a "$ARCHITECTURE" = "linux_amd64" - then - export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH" - fi -# - if test $nprocd -gt 1 - then - $ECHO "Message passing type ($itree)? $ECHOTXT" - read value - if test "$value" - then - itree=$value - fi - $ECHO "Host file name ($host)? $ECHOTXT" - read value - if test "$value" - then - host=$value - fi - if test $nprocdddm -gt 1 - then - $ECHO "Single input file? $ECHOTXT" - read value - case $value in - y* | Y*) - icreated=1 - nprocdarg=-nprocds - ;; - esac - $ECHO "Compatible machines for DDM ($compatible)? $ECHOTXT" - read value - if test "$value" - then - compatible=$value - fi - $ECHO "Copy input files to remote hosts ($cpinput)? $ECHOTXT" - read value - if test "$value" - then - cpinput=$value - fi - $ECHO "Copy post files from remote hosts ($cpresults)? $ECHOTXT" - read value - if test "$value" - then - cpresults=$value - fi - fi - fi - $ECHO "Run the job in the queue ($qid)? $ECHOTXT" - read value - if test "$value" - then - qid=$value - fi - case $qid in - s* | S* | l* | L* | v* | V* ) - $ECHO "Queue priority ($priority)? $ECHOTXT" - read value - if test "$value" - then - priority=$value - fi - $ECHO "Job starts at ($att)? $ECHOTXT" - read value - if test "$value" - then - att=$value - fi - $ECHO "Queue CPU limit ($cpu)? $ECHOTXT" - read value - if test "$value" - then - cpu=$value - fi - ;; - * ) - ;; - esac - $ECHO "Auto Restart option ($nauto)? $ECHOTXT" - read value - if test "$value" - then - nauto=$value - fi - $ECHO "Run directory ($DIRJOB)? $ECHOTXT" - read value - if test "$value" - then - DIRJOB=$value - DIRSCR=$DIRJOB - fi - $ECHO "Scratch directory ($DIRSCR)? $ECHOTXT" - read value - if test "$value" - then - DIRSCR=$value - fi - ;; - quit) - exit 1 - ;; - *) - break - ;; - -esac - - if test $nt -eq -1 - then - nt=${MARC_NUMBER_OF_THREADS:-0} - fi - if test $nt -lt 0 - then - nt=0 - fi - -done -# -if test $nt -eq 0 -then - ntarg= -fi -if test $nt -eq 0 -then - ntprint= -fi -if test $nt -eq 0 -then - nt= -fi - -if test $nte -eq 0 -then - ntearg= -fi -if test $nte -eq 0 -then - nteprint= -fi -if test $nte -eq 0 -then - nte= -fi - -if test $nts -eq 0 -then - ntsarg= -fi -if test $nts -eq 0 -then - ntsprint= -fi -if test $nts -eq 0 -then - nts= -fi -# -if test "$dllrun" -gt 0; then - exefile=exe_marc - prog=exe_marc - program=$exefile - bd=$MARC_BIN/ - if test "$user"; then - . $MARC_TOOLS/make_marc_user_dll $DIRJOB $user - user= - pathdll=yes - if test $prgsav = no; then - rmdll=yes - fi - if test $prgsav = yes; then - cpdll=yes - rmdll=yes - fi - fi - - if test "$pathdll"; then -# -# reset share lib path -# - if test $MACHINENAME = "HP" - then - SHLIB_PATH=$DIRJOB:$SHLIB_PATH - export SHLIB_PATH - fi - if test $MACHINENAME = "IBM" - then - LIBPATH=$DIRJOB:$LIBPATH - export LIBPATH - fi -# - LD_LIBRARY_PATH=$DIRJOB:$LD_LIBRARY_PATH - LD_LIBRARY64_PATH=$DIRJOB:$LD_LIBRARY64_PATH - LD_LIBRARYN32_PATH=$DIRJOB:$LD_LIBRARYN32_PATH - export LD_LIBRARY_PATH - export LD_LIBRARY64_PATH - export LD_LIBRARYN32_PATH - fi -fi -# end of dllrun>0 - - -if test $program = $exefile -o $program = $prog.marc -then - -# delete the old .log file unless we run in the background -if test "$deletelog" = yes -then - if test "$jid" - then - /bin/rm $jid.log 2>/dev/null - fi -else - echo - echo running the job in the background, see $jid.log - echo -fi - -# -# check if this is an autoforge or rezoning or radiation job -# -if test $nprocd -eq 1 -a "$jid" - -then - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^autoforge"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^rezoning"` - if test "$line" - then - autoforge=1 - fi - line=`$AWK '/^[eE][nN][dD]/ {exit} ; {print}' $DIRJID/${jid}$dotdat | grep -i "^radiation"` - if test "$line" - then - autoforge=1 - fi -fi -# -# check that jobname for restarted run is not the same -# as restart file basename -# -if test "$rid" -then - if test "$jid" = "$rid" - then - echo " " - echo "ERROR: job name of current run is the same as job name" - echo " of the restarted job" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "ERROR: job name of current run is the same as job name" >> $jid.log - echo " of the restarted job" >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi -fi - -# -# user objects/libraries used -# - - if test "$objs" - then - program="$DIRJOB/$jid.marc" - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# user subroutine used -# - - if test "$user" - then -# program=$user.marc - program=$DIRJOB/`$BASENAME $user .f`.marc - case $program in - \/* | \.\/*) - bd= - ;; - *) - bd=`pwd`/ - ;; - esac - link=yes - fi - -# -# Special case for IBM using POE but not an SP machine -# in this case we always need a host file, also for serial jobs. -# -if test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP -then - MP_HOSTFILE=${jid}.host - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $nprocd -gt 1 - then - numdom=$nprocd - while test $numdom -gt 0 - do - hostname -s >> $MP_HOSTFILE - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - else - hostname -s > $MP_HOSTFILE - fi -fi -# -# check ssh for all hosts in host file -# -if test $nprocd -gt 1 -then -if test $MPITYPE = "intelmpi" -a "$INTELMPI_VERSION" = "HYDRA" - then -# get host list - if test "$host" - then - line=`grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' | uniq` -# count failing hosts - counter=0 - for i in $line - do - $RSH -o BatchMode=yes -o ConnectTimeout=10 $i uname -n - status=$? - if [[ $status != 0 ]] ; then - counter=$((counter+1)) - if [ "$counter" = "1" ]; then - echo " " - echo " error - connection test failed... " - echo " " - fi - echo " " - echo " connection test with ssh failed on host $i" - echo " check the following command: ssh $i uname -n " - echo " " - fi - done -# echo error message and quit - if test $counter -ne 0 - then - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. ">> $jid.log - echo " The ssh command must be working correctly between ">> $jid.log - echo " the computers used in the analysis. Furthermore, ">> $jid.log - echo " it must be set up such that it does not prompt the ">> $jid.log - echo " user for a password. Note that this is the case ">> $jid.log - echo " also for running on a single machine. ">> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - else - counter=1 -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh `hostname` - if test $counter -ne 0 - then - line=`hostname -s` - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi -# test ssh localhost - if test $counter -ne 0 - then - line=localhost - $RSH -o BatchMode=yes -o ConnectTimeout=10 $line uname -n - status=$? - if [[ $status != 0 ]] ; then - echo ssh login failed for $line machine. > /dev/null - else - counter=0 - fi - fi - if test $counter -ne 0 - then - echo " error - connection test failed... " - echo " " - echo " ssh needs to work on the machine without asking for a password." - echo " check the following command: ssh localhost uname -n" - echo " " - echo " A parallel job using IntelMPI cannot be started. " - echo " The ssh command must be working correctly between " - echo " the computers used in the analysis. Furthermore, " - echo " it must be set up such that it does not prompt the " - echo " user for a password. Note that this is the case " - echo " also for running on a single machine. " - echo " " - if test "$deletelog" = no - then - echo " error - connection test failed... " >> $jid.log - echo " " >> $jid.log - echo " ssh needs to work on the machine without asking for a password." >> $jid.log - echo " check the following command: ssh localhost uname -n" >> $jid.log - echo " " >> $jid.log - echo " A parallel job using IntelMPI cannot be started. " >> $jid.log - echo " The ssh command must be working correctly between " >> $jid.log - echo " the computers used in the analysis. Furthermore, " >> $jid.log - echo " it must be set up such that it does not prompt the " >> $jid.log - echo " user for a password. Note that this is the case " >> $jid.log - echo " also for running on a single machine. " >> $jid.log - echo " " >> $jid.log - echo " Exit number 8" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - echo $line $nprocd > $jid.hosts - host=$jid.hosts - fi - fi -fi -fi -# -# check correctness of host file; fix for user sub -# - if test $nprocd -gt 1 - then - -# construct the path name to the executable (execpath) - execpath=$MARC_BIN/$exefile - usersub=0 - if test $program = $prog.marc - then - execpath=$prog.marc - usersub=1 - fi - if test "$objs" - then - execpath="$DIRJOB/$jid.marc" - usersub=1 - fi - if test "$user" - then - execpath=$DIRJOB/`$BASENAME $user .f`.marc - usersub=1 - fi - export execpath - execname=`$BASENAME $execpath` - - if test "$host" - then - userhost=$host - case $userhost in - \/* | \.\/*) - ;; - *) - userhost=`pwd`/$userhost - ;; - esac - -# check that the number of processes specified in the hostfile is -# equal to nprocd specified by -nprocd. - numproc=`grep -v '^#' $host | $AWK -v sum=0 '{sum=sum+$2}; END {print sum}'` - if test $nprocd -ne $numproc - then - echo " " - echo "error, the number of processes specified in the host file" - echo "must be equal to the number of processes given by -nprocd/-nsolver" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, the number of processes specified in the host file" >> $jid.log - echo "must be equal to the number of processes given by -nprocd/-nsolver" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - -# check for Myrinet that the number of processes per host is -# less than number of available user ports, 5 -# .gmpi directory must exist in user's home directory -# and must have write permission from remote hosts - if test $MPITYPE = "myrinet" - then - numproc=`grep -v '^#' $host | $AWK -v sum=1 '{if( $2 > 5) sum=6}; END {print sum}'` - if test $numproc -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes specified " - echo "in the hostfile must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes specified " >> $jid.log - echo "in the hostfile must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - if test ! -d ~/.gmpi - then - echo " " - echo "error, for Myrinet a .gmpi directory must exist " - echo "under the user's home directory" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a .gmpi directory must exist " >> $jid.log - echo "under the user's home directory" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - homedir=`echo ~` - for i in `grep -v '^#' $host | $AWK '{if (NF > 0) print $1}'` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - $RSH $i /bin/touch $homedir/.gmpi/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - echo " " - echo "error, for Myrinet a shared .gmpi directory must exist " - echo "under the user's home directory " - echo "with remote write permission" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet a shared .gmpi directory must exist " >> $jid.log - echo "under the user's home directory " >> $jid.log - echo "with remote write permission" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - else - /bin/rm tmp.$$ - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - fi - fi - done - fi - fi - -# construct the host file $jid.host which is used by mpirun -# skip lines starting with # and only consider lines with more than -# one word in them. Note that the hostfile given to this script -# has two columns: the host name and the number of shared processes -# to run on this host. mpirun wants the number of _other_ -# processes to run in addition to the one being run on the machine -# on which the job is started. hence the $2-1 for fnr == 1. - if test -f $jid.host - then - /bin/rm $jid.host 2> /dev/null - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then -# HPMPI or HP hardware MPI - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ - -v mpihpspecial="$MPIHPSPECIAL" \ -'{if ( NF > 0) {\ - fnr++ ; \ - printf("-h %s -np %s",$1,$2); \ - printf(" %s",mpihpspecial); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF >= 3 ) printf(" -e MPI_WORKDIR=%s", $3);\ - if ( NF >= 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) \ - }\ - }' > $jid.host -# end HPMPI or HP hardware MPI - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then -# IBM using hardware MPI (POE) - MP_HOSTFILE=$jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.host -# end IBM using hardware MPI (POE) -# for Intel MPI, need to create a machinefile for DMP - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then -# Intel MPI - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - /bin/cp $host $jid.host - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Intel MPI for DMP -# for Solaris HPC 7.1, need to create a machinefile for DMP - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then -# Solaris HPC 7.1 - if test -f $jid.mfile - then - /bin/rm $jid.mfile 2> /dev/null - fi - grep -v '^#' $host | $AWK '{host=$1;num=$2;for (i=1;i<=num;i++) print host}' > $jid.mfile -# end Solaris HPC 7.1 for DMP -# for Myrinet, construct a configuration file in ~/.gmpi -# this must be readable by each process -# format is (hostname) (port number) for each process - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - grep -v '^#' $host | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ -{if ( NF > 0 ) \ - for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc]); \ -}' >> ~/.gmpi/$jid.host - else -# this is for mpich-1.2.5 and later, using the -pg option -# format: host nproc executable user arguments -# the arguments are added later - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub -v user=`whoami` \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s %s\n",path,user);\ - if ( NF == 3 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s %s\n",path,user) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s %s\n",$3,en,user); else printf(" %s/bin/%s %s\n",$4,en,user) \ - }\ - }' > $jid.host - fi -# end Myrinet - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then -# Compaq MPI via Memory Channel - grep -v '^#' $host | $AWK '{if (NF > 0) print $1}' > $jid.host -# end Compaq MPI - else -# MPICH - grep -v '^#' $host | $AWK -v path=$execpath -v en=$execname -v us=$usersub \ -'{if ( NF > 0) {\ - fnr++ ; \ - if ( fnr == 1 ) printf("%s %d",$1,$2-1); \ - else printf("%s %s",$1,$2); \ - if ( NF == 2 ) printf(" %s\n",path);\ - if ( NF == 3 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s\n",path) ;\ - if ( NF == 4 ) if (us) printf(" %s/%s\n",$3,en); else printf(" %s/bin/%s\n",$4,en) \ - }\ - }' > $jid.host - fi -# define the variable host and host_filt -# host_filt is used for loops over hosts -# for Myrinet we need to use a filtered variant of userhost -# for others we can use $host - if test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - host=~/.gmpi/$jid.host - host_filt=$jid.host_tMp - grep -v '^#' $userhost | $AWK '{if (NF > 0) print $1}' > $host_filt - else - host=$jid.host - host_filt=$host - fi - else - host=$jid.host - host_filt=$host - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - host_filt=$jid.mfile - fi - fi -# figure out if the machines in the hostfile are nfs mounted -# or distributed and set the variable "dirstatus" accordingly. -# only perform the check if user subroutine is used -# or a user subroutine executable is used - - numfield=1 - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - numfield=2 - fi - DIR1=$DIRJOB - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - counter=0 - echo " " - echo "checking if local or shared directories for host" - if test "$deletelog" = no - then - echo "checking if local or shared directories for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - dirstatus[$counter]="shared" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - $RSH $i /bin/touch $DIR1/$jid.$$ 2> tmp.$$ - if test -s tmp.$$ - then - dirstatus[$counter]="local" - /bin/rm tmp.$$ - else - if test ! -f $jid.$$ - then - dirstatus[$counter]="local" - $RSH $i /bin/rm $DIR1/$jid.$$ - else - /bin/rm $jid.$$ - fi - fi - if test -f tmp.$$ - then - /bin/rm tmp.$$ - fi - if test -f $jid.$$ - then - /bin/rm $jid.$$ - fi - echo " ${dirstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${dirstatus[$counter]}" >> $jid.log - fi - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - fi - -# figure out if this is a compatible set of machines -# unless explicitly specified with flag -comp -# only perform the check if user subroutine is used -# or a user subroutine executable is used -# Myrinet does not support heterogeneous - if test $program = $prog.marc -o -n "$user" -o -n "$objs" - then - if test $compatible = "unknown" - then - thisname=$ARCH - compatible=yes - counter=0 - echo "checking if machines are compatible for host" - if test "$deletelog" = no - then - echo "checking if machines are compatible for host" >> $jid.log - fi - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]="yes" - $ECHO " $i $ECHOTXT" - if test "$deletelog" = no - then - $ECHO " $i $ECHOTXT" >> $jid.log - fi - othername=`$RSH $i uname -a | cut -f 1 -d " "` - if test $thisname != $othername - then - compatible=no - compstatus[$counter]="no" - fi - fi - echo " ${compstatus[$counter]}" - if test "$deletelog" = no - then - echo " ${compstatus[$counter]}" >> $jid.log - fi - done - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - fi - else - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - compstatus[$counter]=$compatible - fi - done - if test $compatible = "no" - then - echo "all machines assumed incompatible" - if test "$deletelog" = no - then - echo "all machines assumed incompatible" >> $jid.log - fi - else - echo "all machines compatible" - if test "$deletelog" = no - then - echo "all machines compatible" >> $jid.log - fi - fi - fi -# error out if user objects or libraries are used on incompatible machines - if test "$compatible" = "no" -a -n "$objs" - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" - if test "$deletelog" = no - then - echo "User object/libraries cannot be used in a parallel job on incompatible machines" >> $jid.log - fi - exit 1 - fi -# modify new host file if NFS mounted heterogeneous machine - doit= - if test $program = $prog.marc - then - doit=yes - fi - if test "$user" - then - doit=yes - fi - if test "$doit" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - $AWK -v hst=$i '{fnr++ ; \ -if ($1 ~ hst) {if ( fnr == 1 ) printf("%s\n",$0); else \ -printf("%s %s %s_%s\n",$1,$2,$3,$1) } else print}' $jid.host > $jid.host{$$} - /bin/mv $jid.host{$$} $jid.host - host=$jid.host - fi - fi - done - fi - fi # if test $program = $prog.marc -o $user -o $obj - - else # if test $host - # assume shared memory machine if no hostfile given and - # MPITYPE is set to mpich or Myrinet - # check for Myrinet that the total number of processes is - # less than number of available user ports, 5 - if test $MPITYPE = "mpich" -o $MPITYPE = "scali" - then - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - host=$jid.host - elif test $MPITYPE = "myrinet" - then - if test $nprocd -gt 5 - then - echo " " - echo "error, for Myrinet the number of processes " - echo "must not exceed 5 for a hostname" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error, for Myrinet the number of processes " >> $jid.log - echo "must not exceed 5 for a hostname" >> $jid.log - echo " " >> $jid.log - fi - exit 1 - fi - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - echo $nprocd > ~/.gmpi/$jid.host - echo `hostname` $nprocd | $AWK \ -'BEGIN {iport[0] = 2; \ - iport[1] = 4; \ - iport[2] = 5; \ - iport[3] = 6; \ - iport[4] = 7 \ - } \ - {for(iproc = 0; iproc < $2; iproc++) printf("%s %d\n",$1,iport[iproc])} \ -' >> ~/.gmpi/$jid.host - host=~/.gmpi/$jid.host - else - numproc=`echo $nprocd | $AWK '{sum=$1-1}; {print sum}'` - echo `hostname` $numproc $execpath > $jid.host - - fi - fi # if test myrinet - - fi # if test $host - - fi # if test $nprocd -gt 1 - -fi # if test $program = $exefile -o $program = $prog.marc - -############################################################################## -# construct run stream (Marc only) # -############################################################################## - -# set maximum message length for ddm to a large number -# for vendor provided mpi -if test $itree -eq 0 -a $MPITYPE = hardware -then - itree=100000000 - if test $MACHINENAME = SGI - then - itree=100000001 - fi -fi -if test $itree -eq 0 -a $MPITYPE = hpmpi -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = myrinet -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = nec -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = scali -then - itree=100000000 -fi -if test $itree -eq 0 -a $MPITYPE = intelmpi -then - itree=100000000 -fi -if test $nprocdddm -lt 2 -then - nprocdarg= -else - nprocdarg="$nprocdarg $nprocdddm" -fi -if test $nsolver -eq 0 -then - nsolverarg= -else - nsolverarg="$nsolverarg $nsolver" -fi -if test $nprocdddm -lt 2 -a $nsolver -eq 0 -then -nprocd=0 -fi -if test $nprocd -gt 0 -then - if test "$host" - then - if test -z "$RUN_JOB2" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - if test $MPITYPE = hpmpi -o $MACHINENAME = HP -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $host -- -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = IBM -a $MPITYPE = hardware -a "$MACHINETYPE" = NONSP - then - RUN_JOB="$RUN_JOB2 $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MPITYPE = "myrinet" - then - if test $MPIVERSION = "MPICH-GM1.2.1..7" - then - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB_TMP="$RUN_JOB2 $host $bd$program" - RUN_JOB=" -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - elif test $MACHINENAME = DEC -a $MPITYPE = hardware - then - RUN_JOB="$RUN_JOB2 $nprocd -hf $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - elif test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - numhost=`uniq $jid.mfile | wc -l` - if test "$INTELMPI_VERSION" = "HYDRA" - then - RUN_JOB_TMP="$RUN_JOB2 -machinefile $jid.mfile -configfile $jid.cfile" - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n $numhost -r $RSH -f $jid.mfile - RUN_JOB_TMP="$RUN_JOB2 $jid.cfile" - fi - -# intelmpi uses configfile. format: -# -host host1 -n n1 executable marcargs -# one such line per host -# collect the marcargs in RUN_JOB and construct the config file later -# collect the run stream in RUN_JOB_TMP - RUN_JOB="-jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - - - elif test $MACHINENAME = "SUN" -a $MPITYPE = "hardware" - then - RUN_JOB="$RUN_JOB2 $jid.mfile -n $nprocd $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB2 $host $bd$program -jid $jid -dirjid $DIRJID \ -$nprocdarg \ -$nsolverarg \ --maxnum $MAXNUM -itree $itree \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test "$userhost" - then - RUN_JOB="$RUN_JOB -mhost $userhost" - fi - if test $MPITYPE = "scali" - then -# set default working directory to /tmp to allow -# different directory names - SCAMPI_WORKING_DIRECTORY=/tmp - export SCAMPI_WORKING_DIRECTORY - fi - else - if test -z "$RUN_JOB1" - then - echo " " - echo "error: parallel job attempted on non-parallel version," - echo " or, if parallel version is installed, the include " - echo " file is probably corrupted" - echo " " - if test "$deletelog" = no - then - echo " " >> $jid.log - echo "error: parallel job attempted on non-parallel version," >> $jid.log - echo " or, if parallel version is installed, the include " >> $jid.log - echo " file is probably corrupted" >> $jid.log - echo " " >> $jid.log - fi - exit - fi - RUNNPROCD=$nprocd - if test $MACHINENAME = "IBM" -a $MPITYPE = "hardware" - then - RUNNPROCD= - MP_PROCS=$nprocd - export MP_PROCS - fi - if test $MPITYPE = "myrinet" - then - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - echo " " > /dev/null - else - export I_MPI_JOB_CONTEXT=$$ - mpdboot -n 1 -f $jid.hosts - fi - RUN_JOB="$RUN_JOB1 $RUNNPROCD $bd$program -jid $jid -dirjid $DIRJID \ - $nprocdarg \ - $nsolverarg \ - -maxnum $MAXNUM -itree $itree \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi - fi -else - if test $nauto -gt 0 -o $ndcoup -gt 0 - then - RUN_JOB="$RUN_JOB0 $BINDIR/exe_auto $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ - $ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - else -# this is for a serial job without auto restart: - RUN_JOB="$RUN_JOB0 $bd$program -jid $jid -dirjid $DIRJID \ --maxnum $MAXNUM \ -$ntearg $nte $ntsarg $nts $gpuoption -dirjob $DIRJOB " - fi -fi -if test "$rid" -then - RUN_JOB="$RUN_JOB -rid $rid -dirrid $DIRRID" -fi -if test "$pid" -then - RUN_JOB="$RUN_JOB -pid $pid -dirpid $DIRPID" -fi -if test "$sid" -then - RUN_JOB="$RUN_JOB -sid $sid -dirsid $DIRSID" -fi -if test "$did" -then - RUN_JOB="$RUN_JOB -def $did -dirdid $DIRDID" -fi -if test "$vid" -then - RUN_JOB="$RUN_JOB -vf $vid -dirvid $DIRVID" -fi -if test $nauto -gt 0 -then - RUN_JOB="$RUN_JOB -autorst $nauto " -fi -if test $ndcoup -gt 0 -then - RUN_JOB="$RUN_JOB -dcoup $ndcoup " -fi -if test $ndytran -gt 0 -then - RUN_JOB="$RUN_JOB -dytran $ndytran " -fi -if test $mesh -gt 0 -then - RUN_JOB="$RUN_JOB -me $mesh " -fi -if test $noutcore -gt 0 -then - RUN_JOB="$RUN_JOB -outcore $noutcore " -fi -if test "$dllrun" -gt 0 -then - RUN_JOB="$RUN_JOB -dll $dllrun " -fi -if test "$trkrun" -gt 0 -then - RUN_JOB="$RUN_JOB -trk $trkrun " -fi -if test "$iam" -then - RUN_JOB="$RUN_JOB -iam $iam " -fi -if test "$justlist" -then - RUN_JOB="$RUN_JOB -list 1 " -fi -if test "$feature" -then - RUN_JOB="$RUN_JOB -feature $feature " -fi -if test "$memlimit" -ne 0 -then - RUN_JOB="$RUN_JOB -ml $memlimit " -fi -if test "$cpinput" -then - RUN_JOB="$RUN_JOB -ci $cpinput " -fi -if test "$cpresults" -then - RUN_JOB="$RUN_JOB -cr $cpresults " -fi -if test "$DIRSCR" != "$DIRJOB" -then - RUN_JOB="$RUN_JOB -dirscr $DIRSCR" -else - DIRSCR=$DIRJOB -fi -if test "$makebdf" -then - RUN_JOB="$RUN_JOB -bdf $makebdf " -fi -if test $MPITYPE = "myrinet" -a "$host" -a "$MPIVERSION" != "MPICH-GM1.2.1..7" -then - # append $RUN_JOB to all lines of the host file - # and set RUN_JOB - $AWK -v args="$RUN_JOB" '{print $0,args}' $host > $host.$$ - /bin/mv $host.$$ $host - RUN_JOB=$RUN_JOB_TMP -fi -if test $MPITYPE = "intelmpi" -a "$host" -then - # construct config file, append $RUN_JOB to all lines of the config file - # and set RUN_JOB - if test "$INTELMPI_VERSION" = "HYDRA" - then - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-n %s",$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - else - grep -v '^#' $host | $AWK -v args="$RUN_JOB" -v path=$execpath -v en=$execname -v us=$usersub \ - '{if ( NF > 0) {\ - printf("-host %s -n %s",$1,$2); \ - if ( NF == 2 ) printf(" %s",path);\ - if ( NF >= 3 ) printf(" -wdir %s ",$3); \ - if ( NF >= 3 ) if (us) printf(" %s/%s",$3,en); else printf(" %s",path); \ - printf(" %s\n",args); \ - }\ - }' > $jid.cfile - fi - RUN_JOB=$RUN_JOB_TMP -fi -echo " " -echo "Final run stream value" -echo " RUNJOB="$RUN_JOB -if test "$deletelog" = no -then -echo " " >> $jid.log -echo "Final run stream value" >> $jid.log -echo " RUNJOB="$RUN_JOB >> $jid.log -fi - - -############################################################################## -# run marc using valgrind # -############################################################################## -#RUN_JOB="valgrind $RUN_JOB" -#RUN_JOB="valgrind --read-var-info=yes --gen-suppressions=yes $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=all -v $RUN_JOB" -#RUN_JOB="valgrind --gen-suppressions=yes --error-limit=no $RUN_JOB" -############################################################################## - - -############################################################################## -# run the requested program in a queue # -############################################################################## - -if test "$deletelog" = yes -then - echo - date -else - echo >> $jid.log - date >> $jid.log -fi -if [ $qid = short -o $qid = long -o $qid = verylong -o $qid = at ] -then - -/bin/rm -f $jid.runmarcscript - - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - - fi - cat > $jid.runmarcscript << END4 - if test "$user" - then - if test ${basefile##*.} = f - then - ln -sf "$user.f" "$usersub" - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - $SOLVERLIBS \ - $MARCCUDALIBS \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } -END4 -else - prgsav=yes -fi -/bin/rm $userobj 2>/dev/null - -# -# run marc -# - -cat >> $jid.runmarcscript << END5 - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -# first remove all .out files and incremental restart files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - /bin/rm $DIRJOB/$numdom${jid}_i_*.t08 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null - /bin/rm $DIRJOB/${jid}_i_*.t08 2>/dev/null -fi - -if test $nprocdddm -gt 1 -then - $RUN_JOB 2>>$jid.log -else - $RUN_JOB 2>>$jid.log -fi - -if test $dllrun -eq 0; then - if test $prgsav = no - then - /bin/rm -f $bd$program 2>/dev/null - fi -else - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes - then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test \$numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - numdom=\`echo \$numdom | $AWK '{sum=\$1-1}; {print sum}'\` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null -fi -END5 - - -# Submit to marc batch queue -# -if [ $qid = at ] -then -QUENAME=at -SUBMCMD= -else -# -# Submit to qsub queue -# -QUENAME=qsub -SUBMCMD="-q $qid -o /dev/null -e $jid.batch_err_log -x -r $jid" -if test "$priority" -then - SUBMCMD=$SUBMCMD" -p $priority" -fi -if test "$att" -then - SUBMCMD=$SUBMCMD" -a $att" -fi -if test "$cpu" -then - SUBMCMD=$SUBMCMD" -lt $cpu" -fi - -fi -echo $QUENAME $SUBMCMD -#cat $jid.runmarcscript -$QUENAME $SUBMCMD < $jid.runmarcscript - -/bin/rm -f $jid.runmarcscript - -############################################################################## -# run the requested program in the background # -############################################################################## - -else -if test $qid = background -then - -# -# first remove all old .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi -# -# compile user subroutine if present -# -( -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user.f $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user.f on host $i" - echo " $PRODUCT Exit number 3" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser.f 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user.f on host `hostname`" - fi - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - echo " $PRODUCT Exit number 3" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - echo " $PRODUCT Exit number 3" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null - -# -# run marc - -# - -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi - -$RUN_JOB & - -marcpid=$! -echo $marcpid > $DIRJOB/$jid.pid -wait $marcpid - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - fi - fi - fi -fi - - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi - fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi -) 1>>$jid.log 2>&1 & - - -############################################################################## -# run the requested program in the foreground # -############################################################################## - -else - -# -# compile user subroutine if present -# -if test "$link" -then - if test "$user" - then - # compile and link on other hosts in $host if compstatus=no - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${compstatus[$counter]} = "no" - then - DIR1=$DIRJOB - DIR2=$DIR - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - marcdir=`echo $line | $AWK '{print $4}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - if test -n "$marcdir" - then - DIR2=$marcdir - fi - # first copy over the user sub if local directories - if test ${dirstatus[$counter]} = "local" - then - $RCP $user.f $i:$DIR1/ - fi - # do the compilation on the other machine - if test ${dirstatus[$counter]} = "shared" - then - hname=_$ibase - else - hname= - fi - remoteprog=$DIR1/${execname}$hname - remoteuser=$DIR1/`$BASENAME $user` - $RSH $i /bin/rm $remoteprog 2> /dev/null - echo - $RSH $i $DIR2/tools/comp_user $DIR2 $DIR1 $remoteuser $remoteprog - # check if successful, the new executable should be there - line=`$RSH $i /bin/ls $remoteprog 2> /dev/null` - if test "$line" - then - echo compilation and linking successful on host $i - else - echo "$0: compile failed for $user.f on host $i" - exit 1 - fi - # remove the user subroutine on remote machine - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $remoteuser.f 2> /dev/null - fi - fi - fi - done - fi - fi - if test "$userhost" - then - echo - echo "Compiling and linking user subroutine $user.f on host `hostname`" - fi - userobj=$DIRJOB/`$BASENAME $user .f`.o - basefile=`$BASENAME $usersubname` - if test ${basefile##*.} = f - then - usersub=$DIRJOB/`$BASENAME $user .f`.F - ln -sf "$user.f" "$usersub" - else - usersub=$usersubname - fi - if test $MACHINENAME = "CRAY" - then - $FORTRAN $usersub || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - else - $FORTRAN $usersub -o $userobj || \ - { - echo "$0: compile failed for $user.f" - exit 1 - } - /bin/rm $program 2>/dev/null - fi - if test ${basefile##*.} = f - then - /bin/rm -f "$usersub" - fi - fi # if test $user - - - $LOAD $bd${program} $MARC_LIB/main.o \ - $MARC_LIB/blkdta.o $MARC_LIB/comm?.o \ - ${userobj-} \ - $objs \ - $MARC_LIB/srclib.a \ - $MNFLIBS \ - $MDUSER \ - ${MUMPSSOLVERLIBS} \ - $MDSRCLIB \ - $MARC_LIB/mcvfit.a \ - $STUBS \ - ${SOLVERLIBS} \ - ${MARCCUDALIBS} \ - $TKLIBS \ - $MRCLIBS \ - $METISLIBS \ - $SYSLIBS \ - $SECLIBS || \ - { - echo "$0: link failed for ${user:+$userobj }$objs" - exit 1 - } - # copy user subroutine executable for hosts using local working dir - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - if test ${dirstatus[$counter]} = "local" -a ${compstatus[$counter]} = "yes" - then - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - echo "Copying executable to host ${i}" - $RCP $program ${i}:${DIR1}/ - fi - fi - done - fi - fi -else # if test $link - prgsav=yes -fi # if test $link -/bin/rm $userobj 2>/dev/null - -# done if no job id given -if test -z "$jid" -then - echo - echo only compilation requested - echo - exit -fi -# -# run marc -# -# Define share library path based on platforms -# This is required for using the Patran Mesher -if test $MACHINENAME = "IBM" -then - LIBPATH=$MARC_LIB:$MARC_LIB_SHARED:$LIBPATH - export LIBPATH -fi -# first remove all .out files -# the ones for ddm are removed in the code -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRJOB/$numdom$jid.out 2>/dev/null - /bin/rm $DIRJOB/$numdom$jid.log 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done -else - /bin/rm $DIRJOB/$jid.out 2>/dev/null -fi - -$RUN_JOB - -if test $nprocd -gt 1 -then - if test $MACHINENAME = "LINUX" -a $MPITYPE = "intelmpi" - then - if test "$INTELMPI_VERSION" = "HYDRA" - then - if test "$host" - then - /bin/rm $jid.mfile 2> /dev/null - /bin/rm $jid.hosts 2> /dev/null - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.cfile 2> /dev/null - else - echo " " > /dev/null - fi - else - if test "$host" - then - mpdcleanup -a -f $jid.mfile - /bin/rm $jid.host 2> /dev/null - /bin/rm $jid.mfile 2> /dev/null - else - mpdcleanup -a -f $jid.hosts - /bin/rm $jid.hosts 2> /dev/null - fi - fi - fi -fi - -if test $dllrun -eq 0; then -if test $prgsav = no -then - /bin/rm -f $bd$program 2>/dev/null - # for network run, remove executable on remote machines - # and executables with modified name - if test $nprocd -gt 1 - then - if test "$userhost" - then - counter=0 - if test -f "$host_filt" - then - for i in `$AWK -v n=$numfield '{print $n}' $host_filt` - do - ibase=${i%%.*} - if test $ibase != $thishost - then - counter=$((counter+1)) - DIR1=$DIRJOB - line=`grep -v '^#' $userhost | grep "^$ibase "` - workdir=`echo $line | $AWK '{print $3}'` - if test -n "$workdir" - then - DIR1=$workdir - fi - # if an incompatible host uses shared directory, - # then the root machine deletes the executable - if test ${dirstatus[$counter]} = "shared" -a ${compstatus[$counter]} = "no" - then - hname=_$ibase - /bin/rm ${execname}$hname - fi - # if local directory used, the remote machine - # deletes the executable - if test ${dirstatus[$counter]} = "local" - then - $RSH $i /bin/rm $DIR1/${execname} 2>/dev/null - fi - fi - done - fi - fi - fi -fi -else -#dllrun >0 - if test $cpdll = yes; then - filename=`basename $usersubname .f` - /bin/cp $DIRJOB/$marcdll $DIRJOB/${filename}_$marcdll 2>/dev/null - fi - if test $rmdll = yes;then - /bin/rm -f $DIRJOB/$marcdll 2>/dev/null - fi -fi - -if test $nprocdddm -gt 1 -then - numdom=$nprocdddm - while test $numdom -gt 0 - do - /bin/rm $DIRSCR/$numdom$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t74 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t75 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t76 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t77 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t78 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t79 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t84 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t85 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t86 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t87 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t88 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.t90 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sle 2>/dev/null - /bin/rm $DIRSCR/$numdom$jid.sin 2>/dev/null - numdom=`echo $numdom | $AWK '{sum=$1-1}; {print sum}'` - done - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - if test $MPITYPE = "myrinet" - then - if test -f "$host_filt" - then - /bin/rm $host_filt - fi - fi -else - /bin/rm $DIRSCR/$jid.t02 2>/dev/null - /bin/rm $DIRSCR/$jid.t03 2>/dev/null - /bin/rm $DIRSCR/$jid.t11 2>/dev/null - /bin/rm $DIRSCR/$jid.t12 2>/dev/null - /bin/rm $DIRSCR/$jid.t13 2>/dev/null - /bin/rm $DIRSCR/$jid.t14 2>/dev/null - /bin/rm $DIRSCR/$jid.t15 2>/dev/null - /bin/rm $DIRSCR/$jid.t22 2>/dev/null - /bin/rm $DIRSCR/$jid.t23 2>/dev/null - /bin/rm $DIRSCR/$jid.t32 2>/dev/null - /bin/rm $DIRSCR/$jid.t33 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t81* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t82* 2>/dev/null - /bin/rm $DIRSCR/$jid.*.t83* 2>/dev/null - /bin/rm $DIRSCR/$jid.t84 2>/dev/null - /bin/rm $DIRJOB/$jid.pid 2>/dev/null - /bin/rm $DIRJOB/$jid.sle 2>/dev/null - /bin/rm $DIRJOB/$jid.sin 2>/dev/null -fi - - -fi -fi diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/edit_window b/installation/mods_MarcMentat/2015/Mentat_bin/edit_window deleted file mode 100644 index b732a7694..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/edit_window +++ /dev/null @@ -1,5 +0,0 @@ -#!/bin/sh -# This script opens a window running an editor. -# The command to invoke the editor is specified during DAMASK installation - -%EDITOR% $* \ No newline at end of file diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/edit_window.original b/installation/mods_MarcMentat/2015/Mentat_bin/edit_window.original deleted file mode 100644 index 64c0a68d0..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/edit_window.original +++ /dev/null @@ -1,18 +0,0 @@ -#!/bin/sh -# This script opens a window running an editor. The default window is an -# xterm, and the default editor is vi. These may be customized. - -dir= -for d in /usr/bin /usr/bin/X11; do - if test -x "$d/xterm"; then - dir="$d" - break - fi -done - -if test -z "$dir"; then - echo "$0: Could not find xterm" - exit 1 -fi - -"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $* diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/kill1.original b/installation/mods_MarcMentat/2015/Mentat_bin/kill1.original deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/kill1.original +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/kill4 b/installation/mods_MarcMentat/2015/Mentat_bin/kill4 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/kill4 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/kill5 b/installation/mods_MarcMentat/2015/Mentat_bin/kill5 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/kill5 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/kill6 b/installation/mods_MarcMentat/2015/Mentat_bin/kill6 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/kill6 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/kill7 b/installation/mods_MarcMentat/2015/Mentat_bin/kill7 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/kill7 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/kill8 b/installation/mods_MarcMentat/2015/Mentat_bin/kill8 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/kill8 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/kill9 b/installation/mods_MarcMentat/2015/Mentat_bin/kill9 deleted file mode 100644 index 6d1ff84bf..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/kill9 +++ /dev/null @@ -1,8 +0,0 @@ -#!/bin/sh - -if [ "$1" = "" ]; then - echo "usage: $0 job_name" - exit 1 -fi - -echo STOP > $1.cnt diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/submit1.original b/installation/mods_MarcMentat/2015/Mentat_bin/submit1.original deleted file mode 100644 index 192e47a35..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/submit1.original +++ /dev/null @@ -1,186 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=/msc/marc2015 -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/submit4 b/installation/mods_MarcMentat/2015/Mentat_bin/submit4 deleted file mode 100644 index f25a2004e..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/submit4 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/submit5 b/installation/mods_MarcMentat/2015/Mentat_bin/submit5 deleted file mode 100644 index 786f6efc5..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/submit5 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/submit6 b/installation/mods_MarcMentat/2015/Mentat_bin/submit6 deleted file mode 100644 index 6a5d9d79f..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/submit6 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/submit7 b/installation/mods_MarcMentat/2015/Mentat_bin/submit7 deleted file mode 100644 index d0e3be475..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/submit7 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/submit8 b/installation/mods_MarcMentat/2015/Mentat_bin/submit8 deleted file mode 100644 index d466fc6ab..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/submit8 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2015/Mentat_bin/submit9 b/installation/mods_MarcMentat/2015/Mentat_bin/submit9 deleted file mode 100644 index 207a61803..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_bin/submit9 +++ /dev/null @@ -1,187 +0,0 @@ -#!/bin/sh -# -# The exit status of this script is read by Mentat. -# Normal exit status is 0. -# - -DIR=%INSTALLDIR%/marc%VERSION% -if test $MARCDIR1 -then - DIR=$MARCDIR1 -fi - -if test -z "$DIR"; then - REALCOM="`ls -l $0 |awk '{ print $NF; }'`" - DIRSCRIPT=`dirname $REALCOM` - case $DIRSCRIPT in - \/*) - ;; - *) - DIRSCRIPT=`pwd`/$DIRSCRIPT - ;; - esac - . $DIRSCRIPT/getarch - - DIR="$MENTAT_MARCDIR" -fi - -SRCEXT=.f -SRCEXTC=.F -RSTEXT=.t08 -PSTEXT=.t19 -PSTEXTB=.t16 -VWFCEXT=.vfs - -slv=$1 -version=$2 -ndom_fea_solver=$3 -ndom_preprocessor=$4 -hostfile=$5 -compat=$6 -job=$7 -srcfile=$8 -srcmeth=$9 -shift 9 # cannot use $10, $11, ... -restart=$1 -postfile=$2 -viewfactorsfile=$3 -autorst=$4 -copy_datfile="-ci $5" -copy_postfile="-cr $6" -scr_dir=$7 -dcoup=$8 -assem_recov_nthread=$9 -shift 9 # cannot use $10, $11, ... -nthread=$1 -nsolver=$2 -mode=$3 -gpu=$4 - -if [ "$slv" != "" -a "$slv" != "marc" ]; then - slv="-iam sfm" -else - slv="" -fi - -if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then - nprocds="-nprocds $ndom_fea_solver" -else - nprocd="" - if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then - nprocd="-nprocd $ndom_preprocessor" - else - nprocd="" - fi -fi - -if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then - srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"` - case "$srcmeth" in - -) - srcfile="-u $srcfile" - ;; - compsave) - srcfile="-u $srcfile -save y" - ;; - runsaved) - srcfile=${srcfile%.*}".marc" - srcfile="-prog $srcfile" - ;; - esac -else - srcfile="" -fi - -if [ "$restart" != "" -a "$restart" != "-" ]; then - restart=`echo $restart | sed "s/$RSTEXT$//"` - restart="-r $restart" -else - restart="" -fi - -if [ "$postfile" != "" -a "$postfile" != "-" ]; then - postfile=`echo $postfile | sed "s/$PSTEXT$//"` - postfile=`echo $postfile | sed "s/$PSTEXTB$//"` - postfile="-pid $postfile" -else - postfile="" -fi - -if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then - viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"` - viewfactorsfile="-vf $viewfactorsfile" -else - viewfactorsfile="" -fi - -if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then - hostfile="-ho $hostfile" -else - hostfile="" -fi - -if [ "$compat" != "" -a "$compat" != "-" ]; then - compat="-co $compat" -else - compat="" -fi - -if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then - scr_dir="-sd $scr_dir" -else - scr_dir="" -fi - -if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then - dcoup="-dcoup $dcoup" -else - dcoup="" -fi - -if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then - assem_recov_nthread="-nthread_elem $assem_recov_nthread" -else - assem_recov_nthread="" -fi - -if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then - nthread="-nthread $nthread" -else - nthread="" -fi - -if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then - nsolver="-nsolver $nsolver" -else - nsolver="" -fi - -case "$mode" in - 4) mode="-mo i4" ;; - 8) mode="-mo i8" ;; - *) mode= ;; -esac - -if [ "$gpu" != "" -a "$gpu" != "-" ]; then - gpu="-gpu $gpu" -else - gpu="" -fi - -rm -f $job.cnt -rm -f $job.sts -rm -f $job.out -rm -f $job.log - -# To prevent a mismatch with the python version used by the solver -# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH -# unset environment variables PYTHONHOME and PYTHONPATH -unset PYTHONHOME -unset PYTHONPATH - -"${DIR}/tools/run_damask_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \ - $srcfile $restart $postfile $viewfactorsfile $hostfile \ - $compat $copy_datfile $copy_postfile $scr_dir $dcoup \ - $assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1 -sleep 1 -exit 0 diff --git a/installation/mods_MarcMentat/2015/Mentat_menus/job_run.ms b/installation/mods_MarcMentat/2015/Mentat_menus/job_run.ms deleted file mode 100644 index 76d719930..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_menus/job_run.ms +++ /dev/null @@ -1,2655 +0,0 @@ -#ifndef AUTOFORGE -popmenu job_title_pm file jobs.ms -popdown job_title_ok file jobs.ms - -group job_solver_gr file job_common.ms -group user_domains_gr file domain_decomposition.ms -group user_domains_generate_gr file domain_decomposition.ms -group user_domains_tail_gr file domain_decomposition.ms -group job_solver_opts_gr file job_common.ms -popmenu ddm_options file job_common.ms - -browser edit_browser file file.ms -browser directory_browser file file.ms -screen domains file domain_decomposition.ms - - - - browser usersub_file_browser { - position 0 0 - size 82 72 - text "$usersub_file_browser_label" ($usersub_file_browser_label) - filter "*.f *.F *.f90 *.F90" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$usersub_file_browser_command" ($usersub_file_browser_command) - } - - - - browser host_file_browser { - position 0 0 - size 82 72 - text "$host_file_browser_label" ($host_file_browser_label) - filter "*" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$host_file_browser_command" ($host_file_browser_command) - } - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_popmenu { - - text "RUN JOB" - - group { - - - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } - - button { - position 1 9 - size 24 4 - text "USER SUBROUTINE FILE" - browser usersub_file_browser - settext $usersub_file_browser_label "SELECT USER SUBROUTINE FILE" - set $usersub_file_browser_command "*job_usersub_file" - help job_usersub_file - } - - toggle { - position +26 = - size 22 4 - text "SELECTED USER SUBS" - toggle job_usersubs - help job_run_seluser - visible job_usersubs - popmenu job_usersub_pm - } - - display { - position 1 +4 - size 50 4 - display job_usersub_file - } - - button { - position 1 +4 - size 12 4 - text "EDIT" - command "*job_edit_usersub_file" - visible job_usersub_file - } - - button { - position +12 = - size 12 4 - text "CLEAR" - command "*job_clear_usersub_file" - visible job_usersub_file - } - - roller { - position +12 = - size 26 4 - nvalues 3 - texts "COMPILE / NO SAVE" - "COMPILE AND SAVE" - "RUN SAVED EXECUTABLE" - help job_run_compile - roller "job_option user_source" - visible job_usersub_file - commands "*job_option user_source:compile_nosave" - "*job_option user_source:compile_save" - "*job_option user_source:run_saved" - } - - toggle { - position 1 +6 - size 22 4 - text "PARALLELIZATION/\{GPU}" - help job_run_parallel - toggle "or(*job_option parallel:on, \ - *job_option assem_recov_multi_threading:on, \ - solver_multi_procs, \ - solver_multi_threads, \ - and(job_solver_mfront_sparse,\ - job_nonsym_off,\ - *job_option solver_use_gpu:on))" - popmenu job_run_parallelization_pm - set $popname2 "job_run_parallelization_pm" - } - - frame { - position +22 = - size 28 16 - border_width 1 - border_color black - - group { - - display { - position 0 0 - size 28 4 - display job_ddm_domains - } - - display { - position = +4 - size 28 4 - display job_assem_recov_nthreads - } - - display { - position = +4 - size 28 4 - display job_solver_procs - visible solver_allows_multi_procs - } - - display { - position = = - size 28 4 - display job_solver_threads - visible "and(solver_allows_multi_threads,\ - not(and(job_solver_mfront_sparse,\ - *job_option parallel:on)))" - } - - display { - position = +4 - size 28 4 - display job_solver_gpu - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } - } - } - - button { - position 1 +18 - size 8 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - -# see also job_common.ms -# see also the ADVANCED JOB SUBMISSION popmenu in this file - - label { - position +10 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" - help job_option_input_style - } - - button { - position +20 = - size 13 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position 1 +6 - size 16 6 - text "SUBMIT (1)" - command "*submit_job 1 *monitor_job" - } - - button { - position +16 = - size 16 6 - text "ADVANCED JOB SUBMISSION" - popmenu job_submit_adv_pm - } - - button { - position +16 = - size 18 6 - text "DAMASK" - popmenu damask - } - - button { - position 1 +6 - size 16 6 - text "UPDATE" - command "*update_job" - } - - button { - position +16 = - size 16 6 - text "MONITOR" - command "*monitor_job" - } - - button { - position +16 = - size 18 6 - text "KILL" - command "*kill_job *monitor_job" - } - - label { - position 1 +7 - size 32 4 - text "STATUS" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_status" - } - - label { - position -32 +4 - size 32 4 - text "CURRENT INCREMENT (CYCLE)" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_increment" - } - - label { - position -32 +4 - size 32 4 - text "SINGULARITY RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_singularity_ratio" - } - - label { - position -32 +4 - size 32 4 - text "CONVERGENCE RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_convergence_ratio" - } - - label { - position 1 +4 - size 32 4 - text "ANALYSIS TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_analysis_time" - } - - label { - position -32 +4 - size 32 4 - text "WALL TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_time" - } - - frame { - position 1 +4 - size 50 8 - - group { - - frame { - position 0 0 - size 50 8 - text "TOTAL" - border_width 1 - border_color black - group { - - label { - position +6 = - size 13 4 - text "CYCLES" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_cycles" - border_width 1 - border_color black - } - - label { - position -13 +4 - size 13 4 - text "SEPARATIONS" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_separations" - border_width 1 - border_color black - } - - label { - position +10 -4 - size 11 4 - text "CUT BACKS" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_cut_backs" - border_width 1 - border_color black - } - - label { - position -11 +4 - size 11 4 - text "REMESHES" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_remeshes" - border_width 1 - border_color black - } - } - } - } - } - - label { - position 1 +8 - size 19 4 - text "EXIT NUMBER" - border_width 1 - border_color black - } - - integer { - position +19 = - size 10 4 - display "job_exit" - } - - button { - position +10 = - size 21 4 - text "EXIT MESSAGE" - popmenu job_exit_msg_pm - help exit_message - } - - label { - position 1 +6 - size 7 4 - text "EDIT" - border_width 1 - border_color black - } - - button { - position +7 = - size 12 4 - text "OUTPUT FILE" - command "*job_edit_output" - } - - button { - position +12 = - size 9 4 - text "LOG FILE" - command "*job_edit_log_file" - } - - button { - position +9 = - size 12 4 - text "STATUS FILE" - command "*job_edit_status_file" - } - - button { - position +12 = - size 10 4 - text "ANY FILE" - settext $edit_browser_label "EDIT FILE" - set $edit_browser_command "*edit_file" - browser edit_browser - help edit_file - } - - popdown { - position 1 +6 - size 32 4 - text "OPEN POST FILE (MODEL PLOT RESULTS MENU)" - command "@popdown(job_properties_pm) @main(results) @popup(modelplot_pm) *post_open_default" - } - - button { - position 1 +6 - size 12 8 - text "RESET" - command "*job_submit_reset" - } - - popdown { - position +38 = - size 12 8 - text "OK" - } - } - - window job_run_wi { - parent mentat - origin 35 1 - size 52 115 - background_color body - border_width 1 - border_color border - buffering single - } - - mode permanent -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_usersub_pm { - - text "CURRENTLY SELECTED USER SUBROUTINES" - - group { - - - display { - position 1 +5 - size 64 86 - display "job_usersubs" - } - - popdown { - position 27 +88 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 66 102 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_submit_adv_pm { - - text "ADVANCED JOB SUBMISSION" - - group { - - - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } - - label { - position 1 9 - size 19 4 - text "INITIAL ALLOCATION" - border_width 1 - border_color black - } - label { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - } - text { - position +15 = - size 10 4 - display "job_param_value_general_init_allocation" - command "*job_param general_init_allocation" - help job_param_general_init_allocation - } - - label { - position +10 = - size 4 4 - text "MB" - border_width 1 - border_color black - } - - toggle { - position 1 +5 - size 32 4 - text "OUT-OF-CORE ELEMENT STORAGE" - help job_param_elsto - toggle "*job_option elsto:on" - true_command "*job_option elsto:on" - false_command "*job_option elsto:off" - } - - toggle { - position 1 +4 - size 32 4 - text "OUT-OF-CORE INCREMENTAL BACKUP" - help job_param_inc_backup_storage - toggle "*job_option inc_backup_storage:out_of_core" - true_command "*job_option inc_backup_storage:out_of_core" - false_command "*job_option inc_backup_storage:in_core" - } - - toggle { - position +34 = - size 14 4 - text "CHECK SIZES" - help job_run_check - toggle "*job_option check:on" - true_command "*job_option check:on" - false_command "*job_option check:off" - } - - label { - position 1 +6 - size 16 4 - text "INTEGER SIZE" - border_width 1 - border_color black - } - - roller { - position +16 = - size 32 4 - nvalues 3 - texts "DEFAULT" - "4-BYTE INTEGERS" - "8-BYTE INTEGERS" - commands "*job_option marc_integer_size:default" - "*job_option marc_integer_size:i4" - "*job_option marc_integer_size:i8" - help job_run_intsize - roller "job_option marc_integer_size" - } - - frame { - position 1 +6 - size 48 12 - text "MARC INPUT FILE" - border_width 1 - border_color black - - group { - - label { - position 0 4 - size 9 4 - text "VERSION" - border_width 1 - border_color black - } - - roller { - position +9 = - size 14 4 - nvalues 21 - nvisible 21 - texts "DEFAULT" -#if 0 - "2015" -#endif - "2014.2" - "2014.1" - "2014" - "2013.1" - "2013" - "2012" - "2011" - "2010.2" - "2010" - "2008" - "2007" - "2005R3" - "2005" - "2003" - "2001" - "2000" -#if 0 - "8" -#endif - "K7" - "K6.2" - "K5" - "K4" - help job_param_version - rollers "job_input_version_default" -#if 0 - "job_input_version_2015" -#endif - "job_input_version_2014.2" - "job_input_version_2014.1" - "job_input_version_2014" - "job_input_version_2013.1" - "job_input_version_2013" - "job_input_version_2012" - "job_input_version_2011" - "job_input_version_2010.2" - "job_input_version_2010" - "job_input_version_2008" - "job_input_version_2007" - "job_input_version_2005r3" - "job_input_version_2005" - "job_input_version_2003" - "job_input_version_2001" - "job_input_version_2000" -#if 0 - "job_input_version_8" -#endif - "job_input_version_k7" - "job_input_version_k6" - "job_input_version_k5" - "job_input_version_k4" - commands "*job_option version:default" -#if 0 - "*job_option version:2015" -#endif - "*job_option version:2014.2" - "*job_option version:2014.1" - "*job_option version:2014" - "*job_option version:2013.1" - "*job_option version:2013" - "*job_option version:2012" - "*job_option version:2011" - "*job_option version:2010.2" - "*job_option version:2010" - "*job_option version:2008" - "*job_option version:2007" - "*job_option version:2005r3" - "*job_option version:2005" - "*job_option version:2003" - "*job_option version:2001" - "*job_option version:2000" -#if 0 - "*job_option version:8" -#endif - "*job_option version:k7" - "*job_option version:k6" - "*job_option version:k5" - "*job_option version:k4" - visibles "job_allows_input_version_default" -#if 0 - "job_allows_input_version_2015" -#endif - "job_allows_input_version_2014.2" - "job_allows_input_version_2014.1" - "job_allows_input_version_2014" - "job_allows_input_version_2013.1" - "job_allows_input_version_2013" - "job_allows_input_version_2012" - "job_allows_input_version_2011" - "job_allows_input_version_2010.2" - "job_allows_input_version_2010" - "job_allows_input_version_2008" - "job_allows_input_version_2007" - "job_allows_input_version_2005r3" - "job_allows_input_version_2005" - "job_allows_input_version_2003" - "job_allows_input_version_2001" - "job_allows_input_version_2000" -#if 0 - "job_allows_input_version_8" -#endif - "job_allows_input_version_k7" - "job_allows_input_version_k6" - "job_allows_input_version_k5" - "job_allows_input_version_k4" - } - -# see also job_common.ms -# see also the RUN JOB popmenu in this file - - label { - position +14 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" - help job_option_input_style - } - - toggle { - position 0 +4 - size 48 4 - text "EXTENDED PRECISION" - help job_run_precision - toggle "*job_option inp_file_prec:extended" - true_command "*job_option inp_file_prec:extended" - false_command "*job_option inp_file_prec:normal" - } - } - } - - button { - position 1 +14 - size 24 4 - text "SCRATCH DIRECTORY" - settext $directory_browser_label "JOB SCRATCH DIRECTORY" - set $directory_browser_command "*job_scratch_directory" - browser directory_browser - help job_scratch_directory - } - - button { - position +24 = - size 24 4 - text "CLEAR" - command "*job_clear_scratch_directory" - visible job_scratch_directory - } - - text { - position 1 +4 - size 48 4 - display job_scratch_dir - command "*job_scratch_directory" - } - -#ifdef DCOM - toggle { - position 1 +6 - size 8 4 - text "\{DCOM}" - toggle "*job_option dcom:on" - help job_run_dcom - true_command "*job_option dcom:on" - false_command "*job_option dcom:off" - visible win32_available - } - - button { - position +8 = - size 12 4 - text "HOSTNAME" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } - - text job_dcom_hostname { - position +12 = - size 28 4 - display "job_dcom_hostname" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } -#endif - - button { - position 1 +6 - size 24 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - - button { - position +24 = - size 24 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position +4 +6 - size 20 4 - text "WRITE INPUT FILE" - command "*job_write_input" - } - - button { - position = +4 - size 20 4 - text "EDIT INPUT FILE" - command "*job_edit_input" - } - - popdown { - position 1 +5 - size 20 6 - text "SUBMIT 1" - command "*submit_job 1 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 1" - command "*execute_job 1 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 2" - command "*submit_job 2 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 2" - command "*execute_job 2 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 3" - command "*submit_job 3 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 3" - command "*execute_job 3 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } - - mode permanent -} - -#-------------------------------------------------------------------------------------------------- -popmenu damask { - -#ifdef QT_MENTAT - text "DAMASK.MPIE.DE" -#endif - - group { -#ifndef QT_MENTAT - label { - position 0 0 - size 50 4 - text "DAMASK.MPIE.DE" - } -#endif - - label { - position 1 6 - size 13 6 - text "Optimzation" - border_width 1 - border_color black - } - - label { - position +13 = - size 20 6 - text "write Input" - border_width 1 - border_color black - } - - label { - position +18 = - size 30 6 - text "do not write Inp." - border_width 1 - border_color black - } - - label { - position -32 +6 - size 12 6 - text "O2 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 4 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 4 *monitor_job" - } - - label { - position -32 +6 - size 12 6 - text "O1 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 5 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 5 *monitor_job" - } - - label { - position -32 +6 - size 12 6 - text "O0 / OpenMP" - border_width 1 - border_color black - } - - popdown { - position +12 = - size 20 6 - text "Submit" - command "*submit_job 6 *monitor_job" - } - - popdown { - position +20 = - size 20 6 - text "Execute" - command "*execute_job 6 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "CANCEL" - } -} - - - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } - mode permanent -} - -#-------------------------------------------------------------------------------------------------- -popmenu job_exit_msg_pm { - - text "EXIT MESSAGE" - - group { - - - - text { - position 1 5 - size 84 74 - multiline - readonly - display "job_exit_msg" - } - - popdown { - position 37 +76 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 86 90 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_parallelization_pm { - - text "PARALLELIZATION/\{GPU}" - - group { - - - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } - - frame { - position 1 9 - size 48 28 - group job_ddm_gr - text "DOMAIN DECOMPOSITION" - border_width 1 - border_color black - } - - frame { - position 1 +29 - size 36 13 - group job_assem_recov_gr - text "ASSEMBLY AND RECOVERY" - border_width 1 - border_color black - } - - frame { - position 1 +14 - size 58 31 - group job_parallel_matrix_solver_gr - text "MATRIX SOLVER" - border_width 1 - border_color black - } - - frame { - position 1 +32 - size 48 28 - group job_parallel_env_gr - text "PARALLELIZATION ENVIRONMENT" - border_width 1 - border_color black - visible "or(*job_option parallel:on, \ - solver_multi_procs)" - } - - popdown { - position 24 +30 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 1 - size 60 119 - background_color body - border_width 1 - border_color border - buffering single - } - mode permanent -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_gr { - - toggle { - position 1 4 - size 30 4 - text "USE \{DDM}" - toggle "*job_option parallel:on" - help job_run_ddm_use - true_command "*job_option parallel:on" - false_command "*job_option parallel:off" - active "not(job_solver_it_ext)" - } - - frame { - position +2 +5 - size 44 18 - group job_ddm_use_gr - visible "*job_option parallel:on" - } -} - -group job_ddm_use_gr { - roller { - position 0 0 - size 30 4 - nvalues 2 - texts "DECOMPOSITION IN MARC" - "DECOMPOSITION IN MENTAT" - roller "job_option ddm_generator" - commands "*job_option ddm_generator:fea_solver" - "*job_option ddm_generator:preprocessor" - help job_run_ddm_generator - } - - frame { - position 0 +5 - size 44 8 - group job_ddm_fea_solver_gr - visible "*job_option ddm_generator:fea_solver" - } - - frame { - position = = - size 44 8 - group job_ddm_preprocessor_gr - visible "*job_option ddm_generator:preprocessor" - } - - text { - position 0 +9 - size 22 4 - text "Single Input File" - readonly - visible "*job_option ddm_generator:fea_solver" - } - - roller { - position = = - size 22 4 - nvalues 2 - texts "MULTIPLE INPUT FILES" - "SINGLE INPUT FILE" - roller "job_option ddm_single_input" - commands "*job_option ddm_single_input:off" - "*job_option ddm_single_input:on" - visible "*job_option ddm_generator:preprocessor" - help job_run_ddm_single_input - } - - roller { - position +23 = - size 21 4 - nvalues 2 - texts "MULTIPLE POST FILES" - "SINGLE POST FILE" - roller "job_option ddm_single_post" - commands "*job_option ddm_single_post:off" - "*job_option ddm_single_post:on" - help job_run_ddm_single_post - } -} - - - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_fea_solver_gr { - - label { - position 0 0 - size 10 4 - text "# DOMAINS" - help job_param - } - - text { - position +10 = - size 4 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position +4 = - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" - } - - button { - position +4 +4 - size 19 4 - text "ADVANCED SETTINGS" - popmenu job_ddm_fea_solver_pm - } -} - - - - -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_fea_solver_pm { - - text "JOB PARALLELIZATION" - - group { - units 32 120 - - - label { - position 0 5 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } - - frame { - - position 0 +9 - size 32 76 - text "ADVANCED DECOMPOSITION IN MARC" - border_width 1 - border_color black - - group { - - label { - position 1 4 - size 16 4 - text "# DOMAINS" - help job_param - } - - text { - position +16 = - size 14 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position 1 +4 - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" - } - - frame { - position 1 +5 - size 30 20 - group job_ddm_direction_gr - visible "or(*job_option ddm_method:vector, \ - *job_option ddm_method:radial, \ - *job_option ddm_method:angular)" - } - - toggle { - position 1 +21 - size 30 4 - text "DOMAIN ISLAND REMOVAL" - toggle "*job_option ddm_island_removal:on" - true_command "*job_option ddm_island_removal:on" - false_command "*job_option ddm_island_removal:off" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "GRAPH" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "COARSE" - "FINE" - help ddm_decomp_coarse_graph - rollers "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - commands "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "QUADRATIC ELEMENTS" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "GENUINE" - "LINEARIZED" - help job_run_ddm_decomp_linearized - rollers "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - commands "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - } - - label { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - help job_param - } - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_elem_weight_factor" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } - - toggle { - position 1 +5 - size 30 4 - text "DETECT CONTACT" - toggle "*job_option ddm_detect_contact:on" - true_command "*job_option ddm_detect_contact:on" - false_command "*job_option ddm_detect_contact:off" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - help job_run_ddm_decomp_detect_contact - } - - label { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - visible "*job_option ddm_detect_contact:on" - } - - text { - position +15 = - size 15 4 - command "*set_ddm_contact_tolerance" - display "job_param_value_ddm_contact_tolerance" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } - - label { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - visible "*job_option ddm_detect_contact:on" - } - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_contact_constr_factor" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } - } - } - - popdown { - position 0 +77 - size 32 8 - text "OK" - } - } - mode permanent -} # job_ddm_fea_solver_pm - - - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_direction_gr { - - button { - position 0 0 - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "*job_option ddm_method:vector" - } - - button { - position = = - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "not(*job_option ddm_method:vector)" - } - - button { - position +15 = - size 15 4 - text "FROM / TO" - command "*job_vector_from_to ddm_sort_direction_x" - } - - text { - position -15 +4 - size 10 4 - command "*job_param ddm_sort_direction_x" - display "job_param_value_ddm_sort_direction_x" - help ddm_job_decomp_user_direction_x - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_y" - display "job_param_value_ddm_sort_direction_y" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_z" - display "job_param_value_ddm_sort_direction_z" - } - - frame { - position 0 +4 - size 30 8 - group job_ddm_sort_point_gr - visible "not(*job_option ddm_method:vector)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_gr { - - label { - position 0 0 - size 14 4 - border_width 1 - border_color black - text "POINT ON AXIS" - } - - roller { - position +14 = - size 10 4 - nvalues 2 - texts "DEFAULT" - "USER" - roller "job_option ddm_sort_point" - commands "*job_option ddm_sort_point:default" - "*job_option ddm_sort_point:user" - } - - button { - position +10 = - size 6 4 - text "SET" - command "*job_position ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position 0 +4 - size 10 4 - command "*job_param ddm_sort_point_x" - display "job_param_value_ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_y" - display "job_param_value_ddm_sort_point_y" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_z" - display "job_param_value_ddm_sort_point_z" - visible "*job_option ddm_sort_point:user" - } -} - - - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_preprocessor_gr { - - label { - position 0 0 - size 10 4 - text "# DOMAINS" - border_width 1 - border_color black - } - - integer { - position +10 = - size 4 4 - display valid_domains - } - - button { - position +4 = - size 30 4 - text "USER DOMAINS" - popmenu domains_pm - help job_run_ddm_user_domains - } -} - - - - -#-------------------------------------------------------------------------------------------------- -group job_assem_recov_gr { - - toggle { - position 1 +4 - size 30 4 - text "MULTIPLE THREADS" - true_command "*job_option assem_recov_multi_threading:on" - false_command "*job_option assem_recov_multi_threading:off" - toggle "*job_option assem_recov_multi_threading:on" - } - - label { - position +2 +4 - size 12 4 - text "# THREADS" - visible "*job_option assem_recov_multi_threading:on" - } - - text { - position +12 = - size 4 4 - display "job_param_value_assem_recov_nthreads" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } - - label { - position +4 = - size 12 4 - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 = - size 4 4 - display "job_assem_recov_nthreads_dom" - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_matrix_solver_gr { - - label { - position 3 4 - size 12 4 - text "SOLUTION" - border_width 1 - border_color black - } - - roller { - position +12 = - size 18 4 - nvalues 2 - texts "SYMMETRIC" - "NONSYMMETRIC" - rollers job_nonsym_off - job_nonsym_on - commands "*job_option solver_nonsym:off" - "*job_option solver_nonsym:on" - help job_param_solver_method - } - - label { - position -12 +4 - size 6 4 - text "TYPE" - border_width 1 - border_color black - } - - roller { - position +6 = - size 24 4 - nvalues 9 - help job_param_solver_method - texts "MULTIFRONTAL SPARSE" - "MIXED DIRECT-ITERATIVE" - "CASI ITERATIVE" - "PARDISO DIRECT SPARSE" - "MUMPS PARALLEL DIRECT" - "HARDWARE SPARSE" - "ITERATIVE SPARSE" - "DIRECT PROFILE" - "DIRECT SPARSE" - rollers job_solver_mfront_sparse - job_solver_mixed_direct_iterative - job_solver_it_ext - job_solver_pardiso - job_solver_mumps - job_solver_sparse - job_solver_it_sparse - job_solver_dir_profile - job_solver_dir_sparse - commands "*job_option solver:mfront_sparse" - "*job_option solver:mixed_direct_iterative" - "*job_option solver:it_ext" - "*job_option solver:pardiso" - "*job_option solver:mumps" - "*job_option solver:sparse" - "*job_option solver:it_sparse" - "*job_option solver:dir_profile" - "*job_option solver:dir_sparse" - visibles job_allows_solver_mfront_sparse - job_allows_solver_mixed_direct_iterative - job_allows_solver_it_ext - job_allows_solver_pardiso - job_allows_solver_mumps - job_allows_solver_sparse - job_allows_solver_it_sparse - job_allows_solver_dir_profile - job_allows_solver_dir_sparse - help job_param_solver_method - } - - button { - position +24 = - size 10 4 - text "OPTIONS" - popmenu job_parallel_matrix_solver_opt_pm - } - - frame { - position +10 = - size 14 4 - group job_run_solver_ddm_opts_gr - visible "*job_option parallel:on" - } - - frame { - position 1 +5 - size 46 8 - group job_solver_multi_procs_gr - visible solver_allows_multi_procs - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_gr - visible solver_allows_multi_threads - } - - frame { - position 1 +9 - size 46 8 - group job_solver_gpu_gr - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } -} - - - - -#-------------------------------------------------------------------------------------------------- -popmenu job_parallel_matrix_solver_opt_pm { - - text "MATRIX SOLVER OPTIONS" - - group { - - - frame { - position 1 5 - size 36 23 - group job_solver_opts_gr - } - - popdown { - position 13 +25 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 41 12 - size 38 39 - border_width 1 - border_color border - background_color body - } - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -group job_run_solver_ddm_opts_gr { - - button { - position 0 0 - size 14 4 - text "\{DDM} OPTIONS" - popmenu ddm_options -# see also job_common.ms! - visible "not(or(job_solver_it_sparse, \ - job_solver_it_ext, \ - job_solver_mixed_direct_iterative, \ - job_solver_pardiso, \ - job_solver_mumps))" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_procs_parallel_off_gr - visible "*job_option parallel:off" - } - - frame { - position = = - size 46 8 - group job_solver_multi_procs_parallel_on_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - true_command "*job_option nsolver_procs_serial:on" - false_command "*job_option nsolver_procs_serial:off" - toggle "*job_option nsolver_procs_serial:on" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - visible "*job_option nsolver_procs_serial:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - help job_run_multithreading - toggle true - set $dummy dummy - } - - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - border_width 1 - border_color black - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - help job_run_multithreading - rollers "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_nsolver_procs_ddm_automatic_gr - visible "*job_option nsolver_procs_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_nsolver_procs_ddm_user_gr - visible "*job_option nsolver_procs_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_user_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } - - text { - position +8 = - size 8 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - } -} - -group job_solver_multi_threads_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_threads_mfront_sparse_parallel_off_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_mfront_sparse_parallel_on_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:on)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_off_gr - visible "and(job_solver_pardiso,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_on_gr - visible "and(job_solver_pardiso,*job_option parallel:on)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_it_ext_off_gr - visible "and(job_solver_it_ext,*job_option parallel:off)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option mfront_sparse_multi_threading:on" - true_command "*job_option mfront_sparse_multi_threading:on" - false_command "*job_option mfront_sparse_multi_threading:off" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option mfront_sparse_multi_threading:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true - set $dummy dummy - } - - label { - position +30 0 - size 12 4 - visible "and( not(*job_option ddm_precond:direct)\ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 0 - size 4 4 - display "job_mfront_sparse_nthreads_dom" - visible "and( not(*job_option ddm_precond:direct)\ - *job_option parallel:on)" - } - - label { - position 2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option mfront_sparse_multi_threading_ddm:automatic" - "*job_option mfront_sparse_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option mfront_sparse_multi_threading_ddm:automatic" - "*job_option mfront_sparse_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_mfront_sparse_multi_threads_ddm_automatic_gr - visible "*job_option mfront_sparse_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_mfront_sparse_multi_threads_ddm_user_gr - visible "*job_option mfront_sparse_multi_threading_ddm:user" - } -} -#-------------------------------------------------------------------------------------------------- -group job_mfront_sparse_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_mfront_sparse_multi_threads_ddm_user_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - } - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - - - -#-------------------------------------------------------------------------------------------------- -group job_solver_gpu_gr { - - toggle { - position 0 0 - size 30 4 - text "USE \{GPU(s)}" - toggle "*job_option solver_use_gpu:on" - true_command "*job_option solver_use_gpu:on" - false_command "*job_option solver_use_gpu:off" - help job_solver_gpu - } - - label { - position +2 +4 - size 16 4 - text "\{GPU} SELECTION" - border_width 1 - border_color black - visible "*job_option solver_use_gpu:on" - } - - roller { - position +16 = - size 12 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - rollers "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - visible "*job_option solver_use_gpu:on" - help job_solver_gpu - } - - text { - position +12 = - size 16 4 - display job_solver_gpus - command "*clear_job_solver_gpus *job_solver_gpus" - visible "and(*job_option solver_use_gpu:on,*job_option solver_gpus:user)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option pardiso_multi_threading:on" - true_command "*job_option pardiso_multi_threading:on" - false_command "*job_option pardiso_multi_threading:off" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option pardiso_multi_threading:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true - set $dummy dummy - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_pardiso_multi_threads_ddm_automatic_gr - visible "*job_option pardiso_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_pardiso_multi_threads_ddm_user_gr - visible "*job_option pardiso_multi_threading_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_user_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_it_ext_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option it_ext_multi_threading:on" - true_command "*job_option it_ext_multi_threading:on" - false_command "*job_option it_ext_multi_threading:off" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option it_ext_multi_threading:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option it_ext_multi_threading:on" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_gr { - - roller { - position 1 4 - size 30 4 - nvalues 2 - texts "SINGLE MACHINE" - "NETWORK" - help job_run_ddm_setup - roller "job_option parallel_setup" - commands "*job_option parallel_setup:single" - "*job_option parallel_setup:network" - } - - frame { - position +2 +5 - size 44 18 - group job_parallel_env_network_gr - visible "*job_option parallel_setup:network" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_gr { - - button { - position 0 0 - size 28 4 - text "HOST FILE" - browser host_file_browser - settext $host_file_browser_label "SELECT HOST FILE" - set $host_file_browser_command "*job_host_file" - help job_host_file - } - - button { - position +28 = - size 8 4 - text "EDIT" - command "*job_edit_host_file" - help job_edit_host_file - visible job_host_file - } - - button { - position +8 = - size 8 4 - text "CLEAR" - command "*job_clear_host_file" - help job_clear_host_file - visible job_host_file - } - - display { - position 0 +4 - size 44 4 - display job_host_file - } - - frame { - position 0 +5 - size 44 9 - group job_parallel_env_network_ddm_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_ddm_gr { - - toggle { - position 0 0 - size 22 4 - text "COPY INPUT FILE" - toggle "*job_option copy_input_file:on" - true_command "*job_option copy_input_file:on" - false_command "*job_option copy_input_file:off" - help job_host_copy_inputfile - } - - toggle { - position +23 = - size 21 4 - text "COPY POST FILE" - toggle "*job_option copy_post_file:on" - true_command "*job_option copy_post_file:on" - false_command "*job_option copy_post_file:off" - help job_host_copy_inputfile - } - - label { - position 0 +5 - size 10 4 - text "HOSTS" - border_width 1 - border_color black - visible job_usersub_file - } - - roller { - position +10 = - size 18 4 - nvalues 2 - texts "COMPATIBLE" - "INCOMPATIBLE" - roller "job_option network_hosts" - commands "*job_option network_hosts:compatible" - "*job_option network_hosts:incompatible" - help job_host_comp - visible job_usersub_file - } -} - - -#endif diff --git a/installation/mods_MarcMentat/2015/Mentat_menus/job_run.ms.original b/installation/mods_MarcMentat/2015/Mentat_menus/job_run.ms.original deleted file mode 100644 index a0dc4ff7f..000000000 --- a/installation/mods_MarcMentat/2015/Mentat_menus/job_run.ms.original +++ /dev/null @@ -1,2518 +0,0 @@ -#ifndef AUTOFORGE -popmenu job_title_pm file jobs.ms -popdown job_title_ok file jobs.ms - -group job_solver_gr file job_common.ms -group user_domains_gr file domain_decomposition.ms -group user_domains_generate_gr file domain_decomposition.ms -group user_domains_tail_gr file domain_decomposition.ms -group job_solver_opts_gr file job_common.ms -popmenu ddm_options file job_common.ms - -browser edit_browser file file.ms -browser directory_browser file file.ms -screen domains file domain_decomposition.ms - - - - browser usersub_file_browser { - position 0 0 - size 82 72 - text "$usersub_file_browser_label" ($usersub_file_browser_label) - filter "*.f *.F *.f90 *.F90" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$usersub_file_browser_command" ($usersub_file_browser_command) - } - - - - browser host_file_browser { - position 0 0 - size 82 72 - text "$host_file_browser_label" ($host_file_browser_label) - filter "*" - nvisible 10 - select_files true - cancel_action popdown - ok_action popdown - command "$host_file_browser_command" ($host_file_browser_command) - } - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_popmenu { - - text "RUN JOB" - - group { - - - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } - - button { - position 1 9 - size 24 4 - text "USER SUBROUTINE FILE" - browser usersub_file_browser - settext $usersub_file_browser_label "SELECT USER SUBROUTINE FILE" - set $usersub_file_browser_command "*job_usersub_file" - help job_usersub_file - } - - toggle { - position +26 = - size 22 4 - text "SELECTED USER SUBS" - toggle job_usersubs - help job_run_seluser - visible job_usersubs - popmenu job_usersub_pm - } - - display { - position 1 +4 - size 50 4 - display job_usersub_file - } - - button { - position 1 +4 - size 12 4 - text "EDIT" - command "*job_edit_usersub_file" - visible job_usersub_file - } - - button { - position +12 = - size 12 4 - text "CLEAR" - command "*job_clear_usersub_file" - visible job_usersub_file - } - - roller { - position +12 = - size 26 4 - nvalues 3 - texts "COMPILE / NO SAVE" - "COMPILE AND SAVE" - "RUN SAVED EXECUTABLE" - help job_run_compile - roller "job_option user_source" - visible job_usersub_file - commands "*job_option user_source:compile_nosave" - "*job_option user_source:compile_save" - "*job_option user_source:run_saved" - } - - toggle { - position 1 +6 - size 22 4 - text "PARALLELIZATION/\{GPU}" - help job_run_parallel - toggle "or(*job_option parallel:on, \ - *job_option assem_recov_multi_threading:on, \ - solver_multi_procs, \ - solver_multi_threads, \ - and(job_solver_mfront_sparse,\ - job_nonsym_off,\ - *job_option solver_use_gpu:on))" - popmenu job_run_parallelization_pm - set $popname2 "job_run_parallelization_pm" - } - - frame { - position +22 = - size 28 16 - border_width 1 - border_color black - - group { - - display { - position 0 0 - size 28 4 - display job_ddm_domains - } - - display { - position = +4 - size 28 4 - display job_assem_recov_nthreads - } - - display { - position = +4 - size 28 4 - display job_solver_procs - visible solver_allows_multi_procs - } - - display { - position = = - size 28 4 - display job_solver_threads - visible "and(solver_allows_multi_threads,\ - not(and(job_solver_mfront_sparse,\ - *job_option parallel:on)))" - } - - display { - position = +4 - size 28 4 - display job_solver_gpu - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } - } - } - - button { - position 1 +18 - size 8 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - -# see also job_common.ms -# see also the ADVANCED JOB SUBMISSION popmenu in this file - - label { - position +10 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" - help job_option_input_style - } - - button { - position +20 = - size 13 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position 1 +6 - size 16 6 - text "SUBMIT (1)" - command "*submit_job 1 *monitor_job" - } - - button { - position +16 = - size 34 6 - text "ADVANCED JOB SUBMISSION" - popmenu job_submit_adv_pm - } - - button { - position 1 +6 - size 16 6 - text "UPDATE" - command "*update_job" - } - - button { - position +16 = - size 16 6 - text "MONITOR" - command "*monitor_job" - } - - button { - position +16 = - size 18 6 - text "KILL" - command "*kill_job *monitor_job" - } - - label { - position 1 +7 - size 32 4 - text "STATUS" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_status" - } - - label { - position -32 +4 - size 32 4 - text "CURRENT INCREMENT (CYCLE)" - border_width 1 - border_color black - } - - display { - position +32 = - size 18 4 - display "job_increment" - } - - label { - position -32 +4 - size 32 4 - text "SINGULARITY RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_singularity_ratio" - } - - label { - position -32 +4 - size 32 4 - text "CONVERGENCE RATIO" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_convergence_ratio" - } - - label { - position 1 +4 - size 32 4 - text "ANALYSIS TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_analysis_time" - } - - label { - position -32 +4 - size 32 4 - text "WALL TIME" - border_width 1 - border_color black - } - - float { - position +32 = - size 18 4 - display "job_time" - } - - frame { - position 1 +4 - size 50 8 - - group { - - frame { - position 0 0 - size 50 8 - text "TOTAL" - border_width 1 - border_color black - group { - - label { - position +6 = - size 13 4 - text "CYCLES" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_cycles" - border_width 1 - border_color black - } - - label { - position -13 +4 - size 13 4 - text "SEPARATIONS" - border_width 1 - border_color black - } - - integer { - position +13 = - size 10 4 - display "acc_job_separations" - border_width 1 - border_color black - } - - label { - position +10 -4 - size 11 4 - text "CUT BACKS" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_cut_backs" - border_width 1 - border_color black - } - - label { - position -11 +4 - size 11 4 - text "REMESHES" - border_width 1 - border_color black - } - - integer { - position +11 = - size 10 4 - display "acc_job_remeshes" - border_width 1 - border_color black - } - } - } - } - } - - label { - position 1 +8 - size 19 4 - text "EXIT NUMBER" - border_width 1 - border_color black - } - - integer { - position +19 = - size 10 4 - display "job_exit" - } - - button { - position +10 = - size 21 4 - text "EXIT MESSAGE" - popmenu job_exit_msg_pm - help exit_message - } - - label { - position 1 +6 - size 7 4 - text "EDIT" - border_width 1 - border_color black - } - - button { - position +7 = - size 12 4 - text "OUTPUT FILE" - command "*job_edit_output" - } - - button { - position +12 = - size 9 4 - text "LOG FILE" - command "*job_edit_log_file" - } - - button { - position +9 = - size 12 4 - text "STATUS FILE" - command "*job_edit_status_file" - } - - button { - position +12 = - size 10 4 - text "ANY FILE" - settext $edit_browser_label "EDIT FILE" - set $edit_browser_command "*edit_file" - browser edit_browser - help edit_file - } - - popdown { - position 1 +6 - size 32 4 - text "OPEN POST FILE (MODEL PLOT RESULTS MENU)" - command "@popdown(job_properties_pm) @main(results) @popup(modelplot_pm) *post_open_default" - } - - button { - position 1 +6 - size 12 8 - text "RESET" - command "*job_submit_reset" - } - - popdown { - position +38 = - size 12 8 - text "OK" - } - } - - window job_run_wi { - parent mentat - origin 35 1 - size 52 115 - background_color body - border_width 1 - border_color border - buffering single - } - - mode permanent -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_usersub_pm { - - text "CURRENTLY SELECTED USER SUBROUTINES" - - group { - - - display { - position 1 +5 - size 64 86 - display "job_usersubs" - } - - popdown { - position 27 +88 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 66 102 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_submit_adv_pm { - - text "ADVANCED JOB SUBMISSION" - - group { - - - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } - - label { - position 1 9 - size 19 4 - text "INITIAL ALLOCATION" - border_width 1 - border_color black - } - label { - position +19 = - size 15 4 - text "GENERAL MEMORY" - help job_param_general_init_allocation - } - text { - position +15 = - size 10 4 - display "job_param_value_general_init_allocation" - command "*job_param general_init_allocation" - help job_param_general_init_allocation - } - - label { - position +10 = - size 4 4 - text "MB" - border_width 1 - border_color black - } - - toggle { - position 1 +5 - size 32 4 - text "OUT-OF-CORE ELEMENT STORAGE" - help job_param_elsto - toggle "*job_option elsto:on" - true_command "*job_option elsto:on" - false_command "*job_option elsto:off" - } - - toggle { - position 1 +4 - size 32 4 - text "OUT-OF-CORE INCREMENTAL BACKUP" - help job_param_inc_backup_storage - toggle "*job_option inc_backup_storage:out_of_core" - true_command "*job_option inc_backup_storage:out_of_core" - false_command "*job_option inc_backup_storage:in_core" - } - - toggle { - position +34 = - size 14 4 - text "CHECK SIZES" - help job_run_check - toggle "*job_option check:on" - true_command "*job_option check:on" - false_command "*job_option check:off" - } - - label { - position 1 +6 - size 16 4 - text "INTEGER SIZE" - border_width 1 - border_color black - } - - roller { - position +16 = - size 32 4 - nvalues 3 - texts "DEFAULT" - "4-BYTE INTEGERS" - "8-BYTE INTEGERS" - commands "*job_option marc_integer_size:default" - "*job_option marc_integer_size:i4" - "*job_option marc_integer_size:i8" - help job_run_intsize - roller "job_option marc_integer_size" - } - - frame { - position 1 +6 - size 48 12 - text "MARC INPUT FILE" - border_width 1 - border_color black - - group { - - label { - position 0 4 - size 9 4 - text "VERSION" - border_width 1 - border_color black - } - - roller { - position +9 = - size 14 4 - nvalues 21 - nvisible 21 - texts "DEFAULT" -#if 0 - "2015" -#endif - "2014.2" - "2014.1" - "2014" - "2013.1" - "2013" - "2012" - "2011" - "2010.2" - "2010" - "2008" - "2007" - "2005R3" - "2005" - "2003" - "2001" - "2000" -#if 0 - "8" -#endif - "K7" - "K6.2" - "K5" - "K4" - help job_param_version - rollers "job_input_version_default" -#if 0 - "job_input_version_2015" -#endif - "job_input_version_2014.2" - "job_input_version_2014.1" - "job_input_version_2014" - "job_input_version_2013.1" - "job_input_version_2013" - "job_input_version_2012" - "job_input_version_2011" - "job_input_version_2010.2" - "job_input_version_2010" - "job_input_version_2008" - "job_input_version_2007" - "job_input_version_2005r3" - "job_input_version_2005" - "job_input_version_2003" - "job_input_version_2001" - "job_input_version_2000" -#if 0 - "job_input_version_8" -#endif - "job_input_version_k7" - "job_input_version_k6" - "job_input_version_k5" - "job_input_version_k4" - commands "*job_option version:default" -#if 0 - "*job_option version:2015" -#endif - "*job_option version:2014.2" - "*job_option version:2014.1" - "*job_option version:2014" - "*job_option version:2013.1" - "*job_option version:2013" - "*job_option version:2012" - "*job_option version:2011" - "*job_option version:2010.2" - "*job_option version:2010" - "*job_option version:2008" - "*job_option version:2007" - "*job_option version:2005r3" - "*job_option version:2005" - "*job_option version:2003" - "*job_option version:2001" - "*job_option version:2000" -#if 0 - "*job_option version:8" -#endif - "*job_option version:k7" - "*job_option version:k6" - "*job_option version:k5" - "*job_option version:k4" - visibles "job_allows_input_version_default" -#if 0 - "job_allows_input_version_2015" -#endif - "job_allows_input_version_2014.2" - "job_allows_input_version_2014.1" - "job_allows_input_version_2014" - "job_allows_input_version_2013.1" - "job_allows_input_version_2013" - "job_allows_input_version_2012" - "job_allows_input_version_2011" - "job_allows_input_version_2010.2" - "job_allows_input_version_2010" - "job_allows_input_version_2008" - "job_allows_input_version_2007" - "job_allows_input_version_2005r3" - "job_allows_input_version_2005" - "job_allows_input_version_2003" - "job_allows_input_version_2001" - "job_allows_input_version_2000" -#if 0 - "job_allows_input_version_8" -#endif - "job_allows_input_version_k7" - "job_allows_input_version_k6" - "job_allows_input_version_k5" - "job_allows_input_version_k4" - } - -# see also job_common.ms -# see also the RUN JOB popmenu in this file - - label { - position +14 = - size 7 4 - text "STYLE" - border_width 1 - border_color black - } - - roller { - position +7 = - size 18 4 - nvalues 3 - texts "TABLE-DRIVEN" - "MULTI-PHYSICS" - "OLD" - rollers "job_input_style_table_driven" - "job_input_style_multi_physics" - "job_input_style_old" - commands "*job_option input_style:new *job_option input_physics_style:old" - "*job_option input_physics_style:new *job_option input_style:new" - "*job_option input_style:old *job_option input_physics_style:old" - visibles "job_allows_input_style_table_driven" - "job_allows_input_style_multi_physics" - "job_allows_input_style_old" - help job_option_input_style - } - - toggle { - position 0 +4 - size 48 4 - text "EXTENDED PRECISION" - help job_run_precision - toggle "*job_option inp_file_prec:extended" - true_command "*job_option inp_file_prec:extended" - false_command "*job_option inp_file_prec:normal" - } - } - } - - button { - position 1 +14 - size 24 4 - text "SCRATCH DIRECTORY" - settext $directory_browser_label "JOB SCRATCH DIRECTORY" - set $directory_browser_command "*job_scratch_directory" - browser directory_browser - help job_scratch_directory - } - - button { - position +24 = - size 24 4 - text "CLEAR" - command "*job_clear_scratch_directory" - visible job_scratch_directory - } - - text { - position 1 +4 - size 48 4 - display job_scratch_dir - command "*job_scratch_directory" - } - -#ifdef DCOM - toggle { - position 1 +6 - size 8 4 - text "\{DCOM}" - toggle "*job_option dcom:on" - help job_run_dcom - true_command "*job_option dcom:on" - false_command "*job_option dcom:off" - visible win32_available - } - - button { - position +8 = - size 12 4 - text "HOSTNAME" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } - - text job_dcom_hostname { - position +12 = - size 28 4 - display "job_dcom_hostname" - command "*job_dcom_hostname" - visible "and(win32_available, *job_option dcom:on)" - } -#endif - - button { - position 1 +6 - size 24 4 - text "TITLE" - popmenu job_title_pm - command "*job_title" - } - - button { - position +24 = - size 24 4 - text "SAVE MODEL" - command "*save_model" - } - - button { - position +4 +6 - size 20 4 - text "WRITE INPUT FILE" - command "*job_write_input" - } - - button { - position = +4 - size 20 4 - text "EDIT INPUT FILE" - command "*job_edit_input" - } - - popdown { - position 1 +5 - size 20 6 - text "SUBMIT 1" - command "*submit_job 1 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 1" - command "*execute_job 1 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 2" - command "*submit_job 2 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 2" - command "*execute_job 2 *monitor_job" - } - - popdown { - position -28 +6 - size 20 6 - text "SUBMIT 3" - command "*submit_job 3 *monitor_job" - } - - popdown { - position +28 = - size 20 6 - text "EXECUTE 3" - command "*execute_job 3 *monitor_job" - } - - popdown { - position 19 +8 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 -#ifdef DCOM - size 50 100 -#else - size 50 94 -#endif - background_color body - border_width 1 - border_color border - buffering single - } - - mode permanent -} - - -#-------------------------------------------------------------------------------------------------- -popmenu job_exit_msg_pm { - - text "EXIT MESSAGE" - - group { - - - - text { - position 1 5 - size 84 74 - multiline - readonly - display "job_exit_msg" - } - - popdown { - position 37 +76 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 8 - size 86 90 - background_color body - border_width 1 - border_color border - buffering single - } - - mode dialog -} - - - - -#-------------------------------------------------------------------------------------------------- -popmenu job_run_parallelization_pm { - - text "PARALLELIZATION/\{GPU}" - - group { - - - label { - position 0 0 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } - - frame { - position 1 9 - size 48 28 - group job_ddm_gr - text "DOMAIN DECOMPOSITION" - border_width 1 - border_color black - } - - frame { - position 1 +29 - size 36 13 - group job_assem_recov_gr - text "ASSEMBLY AND RECOVERY" - border_width 1 - border_color black - } - - frame { - position 1 +14 - size 58 31 - group job_parallel_matrix_solver_gr - text "MATRIX SOLVER" - border_width 1 - border_color black - } - - frame { - position 1 +32 - size 48 28 - group job_parallel_env_gr - text "PARALLELIZATION ENVIRONMENT" - border_width 1 - border_color black - visible "or(*job_option parallel:on, \ - solver_multi_procs)" - } - - popdown { - position 24 +30 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 38 1 - size 60 119 - background_color body - border_width 1 - border_color border - buffering single - } - mode permanent -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_gr { - - toggle { - position 1 4 - size 30 4 - text "USE \{DDM}" - toggle "*job_option parallel:on" - help job_run_ddm_use - true_command "*job_option parallel:on" - false_command "*job_option parallel:off" - active "not(job_solver_it_ext)" - } - - frame { - position +2 +5 - size 44 18 - group job_ddm_use_gr - visible "*job_option parallel:on" - } -} - -group job_ddm_use_gr { - roller { - position 0 0 - size 30 4 - nvalues 2 - texts "DECOMPOSITION IN MARC" - "DECOMPOSITION IN MENTAT" - roller "job_option ddm_generator" - commands "*job_option ddm_generator:fea_solver" - "*job_option ddm_generator:preprocessor" - help job_run_ddm_generator - } - - frame { - position 0 +5 - size 44 8 - group job_ddm_fea_solver_gr - visible "*job_option ddm_generator:fea_solver" - } - - frame { - position = = - size 44 8 - group job_ddm_preprocessor_gr - visible "*job_option ddm_generator:preprocessor" - } - - text { - position 0 +9 - size 22 4 - text "Single Input File" - readonly - visible "*job_option ddm_generator:fea_solver" - } - - roller { - position = = - size 22 4 - nvalues 2 - texts "MULTIPLE INPUT FILES" - "SINGLE INPUT FILE" - roller "job_option ddm_single_input" - commands "*job_option ddm_single_input:off" - "*job_option ddm_single_input:on" - visible "*job_option ddm_generator:preprocessor" - help job_run_ddm_single_input - } - - roller { - position +23 = - size 21 4 - nvalues 2 - texts "MULTIPLE POST FILES" - "SINGLE POST FILE" - roller "job_option ddm_single_post" - commands "*job_option ddm_single_post:off" - "*job_option ddm_single_post:on" - help job_run_ddm_single_post - } -} - - - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_fea_solver_gr { - - label { - position 0 0 - size 10 4 - text "# DOMAINS" - help job_param - } - - text { - position +10 = - size 4 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position +4 = - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" - } - - button { - position +4 +4 - size 19 4 - text "ADVANCED SETTINGS" - popmenu job_ddm_fea_solver_pm - } -} - - - - -#-------------------------------------------------------------------------------------------------- -popmenu job_ddm_fea_solver_pm { - - text "JOB PARALLELIZATION" - - group { - units 32 120 - - - label { - position 0 5 - size 6 4 - text "NAME" - } - - display { - position +6 = - size 26 4 - display "job_name" - } - - label { - position 0 +4 - size 6 4 - text "TYPE" - } - - display { - position +6 = - size 26 4 - display job_class_label - } - - frame { - - position 0 +9 - size 32 76 - text "ADVANCED DECOMPOSITION IN MARC" - border_width 1 - border_color black - - group { - - label { - position 1 4 - size 16 4 - text "# DOMAINS" - help job_param - } - - text { - position +16 = - size 14 4 - display "job_param_value_ndomains" - command "*job_param ndomains" - } - - label { - position 1 +4 - size 7 4 - text "METHOD" - border_width 1 - border_color black - } - - roller { - position +7 = - size 23 4 - nvalues 7 - texts "METIS BEST" - "METIS ELEMENT" - "METIS NODE" - "REC. COORD. BISECTION" - "VECTOR" - "RADIAL" - "ANGULAR" - help set_job_decomp_type - rollers "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" - commands "*job_option ddm_method:metis_best" - "*job_option ddm_method:metis_element_based" - "*job_option ddm_method:metis_node_based" - "*job_option ddm_method:recur_coord_bisect" - "*job_option ddm_method:vector" - "*job_option ddm_method:radial" - "*job_option ddm_method:angular" - } - - frame { - position 1 +5 - size 30 20 - group job_ddm_direction_gr - visible "or(*job_option ddm_method:vector, \ - *job_option ddm_method:radial, \ - *job_option ddm_method:angular)" - } - - toggle { - position 1 +21 - size 30 4 - text "DOMAIN ISLAND REMOVAL" - toggle "*job_option ddm_island_removal:on" - true_command "*job_option ddm_island_removal:on" - false_command "*job_option ddm_island_removal:off" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "GRAPH" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "COARSE" - "FINE" - help ddm_decomp_coarse_graph - rollers "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - commands "*job_option ddm_graph:coarse" - "*job_option ddm_graph:fine" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - } - - label { - position 1 +4 - size 15 4 - border_width 1 - border_color black - text "QUADRATIC ELEMENTS" - } - - roller { - position +15 = - size 15 4 - nvalues 2 - texts "GENUINE" - "LINEARIZED" - help job_run_ddm_decomp_linearized - rollers "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - commands "*job_option ddm_quadr_elems:genuine" - "*job_option ddm_quadr_elems:linearized" - } - - label { - position 1 +5 - size 15 4 - text "ELEMENT WEIGHT FACTOR" - help job_param - } - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_elem_weight_factor" - command "*job_param ddm_elem_weight_factor" - help job_run_ddm_decomp_element_weight_factor - } - - toggle { - position 1 +5 - size 30 4 - text "DETECT CONTACT" - toggle "*job_option ddm_detect_contact:on" - true_command "*job_option ddm_detect_contact:on" - false_command "*job_option ddm_detect_contact:off" - visible "or(*job_option ddm_method:metis_best, \ - *job_option ddm_method:metis_element_based, \ - *job_option ddm_method:metis_node_based)" - help job_run_ddm_decomp_detect_contact - } - - label { - position = +5 - size 15 4 - text "CONTACT TOLERANCE" - visible "*job_option ddm_detect_contact:on" - } - - text { - position +15 = - size 15 4 - command "*set_ddm_contact_tolerance" - display "job_param_value_ddm_contact_tolerance" - command "*job_param ddm_contact_tolerance" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_tolerance - } - - label { - position -15 +4 - size 15 4 - text "CONTACT CONSTR FACTOR" - visible "*job_option ddm_detect_contact:on" - } - - text { - position +15 = - size 15 4 - display "job_param_value_ddm_contact_constr_factor" - command "*job_param ddm_contact_constr_factor" - visible "*job_option ddm_detect_contact:on" - help job_run_ddm_decomp_contact_constraint_factor - } - } - } - - popdown { - position 0 +77 - size 32 8 - text "OK" - } - } - mode permanent -} # job_ddm_fea_solver_pm - - - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_direction_gr { - - button { - position 0 0 - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "*job_option ddm_method:vector" - } - - button { - position = = - size 15 4 - text "DIRECTION" - command "*job_vector ddm_sort_direction_x" - visible "not(*job_option ddm_method:vector)" - } - - button { - position +15 = - size 15 4 - text "FROM / TO" - command "*job_vector_from_to ddm_sort_direction_x" - } - - text { - position -15 +4 - size 10 4 - command "*job_param ddm_sort_direction_x" - display "job_param_value_ddm_sort_direction_x" - help ddm_job_decomp_user_direction_x - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_y" - display "job_param_value_ddm_sort_direction_y" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_direction_z" - display "job_param_value_ddm_sort_direction_z" - } - - frame { - position 0 +4 - size 30 8 - group job_ddm_sort_point_gr - visible "not(*job_option ddm_method:vector)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_sort_point_gr { - - label { - position 0 0 - size 14 4 - border_width 1 - border_color black - text "POINT ON AXIS" - } - - roller { - position +14 = - size 10 4 - nvalues 2 - texts "DEFAULT" - "USER" - roller "job_option ddm_sort_point" - commands "*job_option ddm_sort_point:default" - "*job_option ddm_sort_point:user" - } - - button { - position +10 = - size 6 4 - text "SET" - command "*job_position ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position 0 +4 - size 10 4 - command "*job_param ddm_sort_point_x" - display "job_param_value_ddm_sort_point_x" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_y" - display "job_param_value_ddm_sort_point_y" - visible "*job_option ddm_sort_point:user" - } - - text { - position +10 = - size 10 4 - command "*job_param ddm_sort_point_z" - display "job_param_value_ddm_sort_point_z" - visible "*job_option ddm_sort_point:user" - } -} - - - - -#-------------------------------------------------------------------------------------------------- -group job_ddm_preprocessor_gr { - - label { - position 0 0 - size 10 4 - text "# DOMAINS" - border_width 1 - border_color black - } - - integer { - position +10 = - size 4 4 - display valid_domains - } - - button { - position +4 = - size 30 4 - text "USER DOMAINS" - popmenu domains_pm - help job_run_ddm_user_domains - } -} - - - - -#-------------------------------------------------------------------------------------------------- -group job_assem_recov_gr { - - toggle { - position 1 +4 - size 30 4 - text "MULTIPLE THREADS" - true_command "*job_option assem_recov_multi_threading:on" - false_command "*job_option assem_recov_multi_threading:off" - toggle "*job_option assem_recov_multi_threading:on" - } - - label { - position +2 +4 - size 12 4 - text "# THREADS" - visible "*job_option assem_recov_multi_threading:on" - } - - text { - position +12 = - size 4 4 - display "job_param_value_assem_recov_nthreads" - command "*job_param assem_recov_nthreads" - visible "*job_option assem_recov_multi_threading:on" - } - - label { - position +4 = - size 12 4 - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 = - size 4 4 - display "job_assem_recov_nthreads_dom" - visible "and(*job_option assem_recov_multi_threading:on, \ - *job_option parallel:on)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_matrix_solver_gr { - - label { - position 3 4 - size 12 4 - text "SOLUTION" - border_width 1 - border_color black - } - - roller { - position +12 = - size 18 4 - nvalues 2 - texts "SYMMETRIC" - "NONSYMMETRIC" - rollers job_nonsym_off - job_nonsym_on - commands "*job_option solver_nonsym:off" - "*job_option solver_nonsym:on" - help job_param_solver_method - } - - label { - position -12 +4 - size 6 4 - text "TYPE" - border_width 1 - border_color black - } - - roller { - position +6 = - size 24 4 - nvalues 9 - help job_param_solver_method - texts "MULTIFRONTAL SPARSE" - "MIXED DIRECT-ITERATIVE" - "CASI ITERATIVE" - "PARDISO DIRECT SPARSE" - "MUMPS PARALLEL DIRECT" - "HARDWARE SPARSE" - "ITERATIVE SPARSE" - "DIRECT PROFILE" - "DIRECT SPARSE" - rollers job_solver_mfront_sparse - job_solver_mixed_direct_iterative - job_solver_it_ext - job_solver_pardiso - job_solver_mumps - job_solver_sparse - job_solver_it_sparse - job_solver_dir_profile - job_solver_dir_sparse - commands "*job_option solver:mfront_sparse" - "*job_option solver:mixed_direct_iterative" - "*job_option solver:it_ext" - "*job_option solver:pardiso" - "*job_option solver:mumps" - "*job_option solver:sparse" - "*job_option solver:it_sparse" - "*job_option solver:dir_profile" - "*job_option solver:dir_sparse" - visibles job_allows_solver_mfront_sparse - job_allows_solver_mixed_direct_iterative - job_allows_solver_it_ext - job_allows_solver_pardiso - job_allows_solver_mumps - job_allows_solver_sparse - job_allows_solver_it_sparse - job_allows_solver_dir_profile - job_allows_solver_dir_sparse - help job_param_solver_method - } - - button { - position +24 = - size 10 4 - text "OPTIONS" - popmenu job_parallel_matrix_solver_opt_pm - } - - frame { - position +10 = - size 14 4 - group job_run_solver_ddm_opts_gr - visible "*job_option parallel:on" - } - - frame { - position 1 +5 - size 46 8 - group job_solver_multi_procs_gr - visible solver_allows_multi_procs - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_gr - visible solver_allows_multi_threads - } - - frame { - position 1 +9 - size 46 8 - group job_solver_gpu_gr - visible "and(job_solver_mfront_sparse,job_nonsym_off)" - } -} - - - - -#-------------------------------------------------------------------------------------------------- -popmenu job_parallel_matrix_solver_opt_pm { - - text "MATRIX SOLVER OPTIONS" - - group { - - - frame { - position 1 5 - size 36 23 - group job_solver_opts_gr - } - - popdown { - position 13 +25 - size 12 8 - text "OK" - } - } - - window { - parent mentat - origin 41 12 - size 38 39 - border_width 1 - border_color border - background_color body - } - mode dialog -} - - -#-------------------------------------------------------------------------------------------------- -group job_run_solver_ddm_opts_gr { - - button { - position 0 0 - size 14 4 - text "\{DDM} OPTIONS" - popmenu ddm_options -# see also job_common.ms! - visible "not(or(job_solver_it_sparse, \ - job_solver_it_ext, \ - job_solver_mixed_direct_iterative, \ - job_solver_pardiso, \ - job_solver_mumps))" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_procs_parallel_off_gr - visible "*job_option parallel:off" - } - - frame { - position = = - size 46 8 - group job_solver_multi_procs_parallel_on_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - true_command "*job_option nsolver_procs_serial:on" - false_command "*job_option nsolver_procs_serial:off" - toggle "*job_option nsolver_procs_serial:on" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - visible "*job_option nsolver_procs_serial:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - visible "*job_option nsolver_procs_serial:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_procs_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE SOLVER PROCESSES" - help job_run_multithreading - toggle true - set $dummy dummy - } - - label { - position +2 +4 - size 14 4 - text "# PROCESSES" - border_width 1 - border_color black - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - help job_run_multithreading - rollers "*job_option nsolver_procs_ddm:automatic" - "*job_option nsolver_procs_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_nsolver_procs_ddm_automatic_gr - visible "*job_option nsolver_procs_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_nsolver_procs_ddm_user_gr - visible "*job_option nsolver_procs_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_nsolver_procs_ddm_user_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } - - text { - position +8 = - size 8 4 - display "job_param_value_nsolver_procs" - command "*job_param nsolver_procs" - } -} - -group job_solver_multi_threads_gr { - frame { - position 0 0 - size 46 8 - group job_solver_multi_threads_mfront_sparse_parallel_off_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_mfront_sparse_parallel_on_gr - visible "and(job_solver_mfront_sparse,*job_option parallel:on)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_off_gr - visible "and(job_solver_pardiso,*job_option parallel:off)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_pardiso_parallel_on_gr - visible "and(job_solver_pardiso,*job_option parallel:on)" - } - - frame { - position = = - size 46 8 - group job_solver_multi_threads_it_ext_off_gr - visible "and(job_solver_it_ext,*job_option parallel:off)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option mfront_sparse_multi_threading:on" - true_command "*job_option mfront_sparse_multi_threading:on" - false_command "*job_option mfront_sparse_multi_threading:off" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option mfront_sparse_multi_threading:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option mfront_sparse_multi_threading:on" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_mfront_sparse_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true - set $dummy dummy - } - - label { - position +30 0 - size 12 4 - visible "and( not(*job_option ddm_precond:direct)\ - *job_option parallel:on)" - text "PER DOMAIN" - border_width 1 - border_color black - } - - display { - position +12 0 - size 4 4 - display "job_mfront_sparse_nthreads_dom" - visible "and( not(*job_option ddm_precond:direct)\ - *job_option parallel:on)" - } - - label { - position 2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option mfront_sparse_multi_threading_ddm:automatic" - "*job_option mfront_sparse_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option mfront_sparse_multi_threading_ddm:automatic" - "*job_option mfront_sparse_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_mfront_sparse_multi_threads_ddm_automatic_gr - visible "*job_option mfront_sparse_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_mfront_sparse_multi_threads_ddm_user_gr - visible "*job_option mfront_sparse_multi_threading_ddm:user" - } -} -#-------------------------------------------------------------------------------------------------- -group job_mfront_sparse_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_mfront_sparse_multi_threads_ddm_user_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - } - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - - - -#-------------------------------------------------------------------------------------------------- -group job_solver_gpu_gr { - - toggle { - position 0 0 - size 30 4 - text "USE \{GPU(s)}" - toggle "*job_option solver_use_gpu:on" - true_command "*job_option solver_use_gpu:on" - false_command "*job_option solver_use_gpu:off" - help job_solver_gpu - } - - label { - position +2 +4 - size 16 4 - text "\{GPU} SELECTION" - border_width 1 - border_color black - visible "*job_option solver_use_gpu:on" - } - - roller { - position +16 = - size 12 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - rollers "*job_option solver_gpus:automatic" - "*job_option solver_gpus:user" - visible "*job_option solver_use_gpu:on" - help job_solver_gpu - } - - text { - position +12 = - size 16 4 - display job_solver_gpus - command "*clear_job_solver_gpus *job_solver_gpus" - visible "and(*job_option solver_use_gpu:on,*job_option solver_gpus:user)" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option pardiso_multi_threading:on" - true_command "*job_option pardiso_multi_threading:on" - false_command "*job_option pardiso_multi_threading:off" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option pardiso_multi_threading:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option pardiso_multi_threading:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_pardiso_parallel_on_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - help job_run_multithreading - toggle true - set $dummy dummy - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - border_color black - border_width 1 - } - - roller { - position +14 = - size 14 4 - nvalues 2 - texts "AUTOMATIC" - "USER" - commands "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - help job_run_multithreading - rollers "*job_option pardiso_multi_threading_ddm:automatic" - "*job_option pardiso_multi_threading_ddm:user" - } - - frame { - position +14 = - size 16 4 - group job_pardiso_multi_threads_ddm_automatic_gr - visible "*job_option pardiso_multi_threading_ddm:automatic" - } - - frame { - position = = - size 16 4 - group job_pardiso_multi_threads_ddm_user_gr - visible "*job_option pardiso_multi_threading_ddm:user" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_automatic_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - border_width 1 - border_color black - } - - integer { - position +8 = - size 8 4 - display valid_domains - visible "*job_option ddm_generator:preprocessor" - } - - integer { - position = = - size 8 4 - display "job_param_ndomains" - visible "*job_option ddm_generator:fea_solver" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_pardiso_multi_threads_ddm_user_gr { - - label { - position 0 0 - size 8 4 - text "VALUE" - help job_param - } - - text { - position +8 = - size 8 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_solver_multi_threads_it_ext_off_gr { - - toggle { - position 0 0 - size 30 4 - text "MULTIPLE THREADS" - toggle "*job_option it_ext_multi_threading:on" - true_command "*job_option it_ext_multi_threading:on" - false_command "*job_option it_ext_multi_threading:off" - help job_run_multithreading - } - - label { - position +2 +4 - size 14 4 - text "# THREADS" - visible "*job_option it_ext_multi_threading:on" - help job_param - } - - text { - position +14 = - size 14 4 - display "job_param_value_nthreads" - command "*job_param nthreads" - visible "*job_option it_ext_multi_threading:on" - } -} - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_gr { - - roller { - position 1 4 - size 30 4 - nvalues 2 - texts "SINGLE MACHINE" - "NETWORK" - help job_run_ddm_setup - roller "job_option parallel_setup" - commands "*job_option parallel_setup:single" - "*job_option parallel_setup:network" - } - - frame { - position +2 +5 - size 44 18 - group job_parallel_env_network_gr - visible "*job_option parallel_setup:network" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_gr { - - button { - position 0 0 - size 28 4 - text "HOST FILE" - browser host_file_browser - settext $host_file_browser_label "SELECT HOST FILE" - set $host_file_browser_command "*job_host_file" - help job_host_file - } - - button { - position +28 = - size 8 4 - text "EDIT" - command "*job_edit_host_file" - help job_edit_host_file - visible job_host_file - } - - button { - position +8 = - size 8 4 - text "CLEAR" - command "*job_clear_host_file" - help job_clear_host_file - visible job_host_file - } - - display { - position 0 +4 - size 44 4 - display job_host_file - } - - frame { - position 0 +5 - size 44 9 - group job_parallel_env_network_ddm_gr - visible "*job_option parallel:on" - } -} - - -#-------------------------------------------------------------------------------------------------- -group job_parallel_env_network_ddm_gr { - - toggle { - position 0 0 - size 22 4 - text "COPY INPUT FILE" - toggle "*job_option copy_input_file:on" - true_command "*job_option copy_input_file:on" - false_command "*job_option copy_input_file:off" - help job_host_copy_inputfile - } - - toggle { - position +23 = - size 21 4 - text "COPY POST FILE" - toggle "*job_option copy_post_file:on" - true_command "*job_option copy_post_file:on" - false_command "*job_option copy_post_file:off" - help job_host_copy_inputfile - } - - label { - position 0 +5 - size 10 4 - text "HOSTS" - border_width 1 - border_color black - visible job_usersub_file - } - - roller { - position +10 = - size 18 4 - nvalues 2 - texts "COMPATIBLE" - "INCOMPATIBLE" - roller "job_option network_hosts" - commands "*job_option network_hosts:compatible" - "*job_option network_hosts:incompatible" - help job_host_comp - visible job_usersub_file - } -} - - -#endif diff --git a/lib/MarcInclude/concom2011 b/lib/MarcInclude/concom2011 deleted file mode 100644 index c6eb4c7f7..000000000 --- a/lib/MarcInclude/concom2011 +++ /dev/null @@ -1,205 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: concom.cmn -! -! MSC.Marc include file -! -integer(pInt) & - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& - magf_meth, non_assumed, iredoboudry -integer(pInt) num_concom -parameter(num_concom=232) -common/marc_concom/& - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva(60), idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush , istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout,igena_meth,& - magf_meth, non_assumed, iredoboudry -! -! comments of variables: -! -! ideva(60) - debug print out flag -! 1 print element stiffness matrices, mass matrix -! 2 output matrices used in tying -! 3 force the solution of a nonpositive definite matrix -! 4 print info of connections to each node -! 5 info of gap convergence, internal heat generated, contact -! touching and separation -! 6 nodal value array during rezoning -! 7 tying info in CONRAD GAP option, fluid element numbers in -! CHANNEL option -! 8 output incremental displacements in local coord. system -! 9 latent heat output -! 10 stress-strain in local coord. system -! 11 additional info on interlaminar stress -! 12 output right hand side and solution vector -! 13 info of CPU resources used and memory available on NT -! 14 info of mesh adaption process, 2D outline information -! info of penetration checking for remeshing -! save .fem files after afmesh3d meshing -! 15 surface energy balance flag -! 16 print info regarding pyrolysis -! 17 print info of "streamline topology" -! 18 print mesh data changes after remeshing -! 19 print material flow stress data read in from *.mat file -! if unit flag is on, print out flow stress after conversion -! 20 print information on table input -! 21 print out information regarding kinematic boundary conditions -! 22 print out information regarding dist loads, point loads, film -! and foundations -! 23 print out information about automatic domain decomposition -! 24 print out iteration information in SuperForm status report file -! 25 print out information for ablation -! 26 print out information for films - Table input -! 27 print out the tying forces -! 28 print out for CASI solver, convection, -! 29 DDM single file debug printout -! 30 print out cavity debug info -! 31 print out welding related info -! 32 prints categorized DDM memory usage -! 33 print out the cutting info regarding machining feature -! 34 print out the list of quantities which can be defined via a table -! and for each quantity the supported independent variables -! 35 print out detailed coupling region info -! 36 print out solver debug info level 1 (Least Detailed) -! 37 print out solver debug info level 1 (Medium Detailed) -! 38 print out solver debug info level 1 (Very Detailed) -! 39 print detailed memory allocation info -! 40 print out marc-adams debug info -! 41 output rezone mapping post file for debugging -! 42 output post file after calling oprofos() for debugging -! 43 debug printout for vcct -! 44 debug printout for progressive failure -! 45 print out automatically generated midside node coordinates (arecrd) -! 46 print out message about routine and location, where the ibort is raised (ibort_inc) -! 47 print out summary message of element variables on a -! group-basis after all the automatic changes have been -! made (em_ellibp) -! 48 Automatically generate check results based on max and min vals. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the generate_check_results script from /marc/tools -! 49 Automatically generate check results based on the real calculated values -! at the sppecified check result locations. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the update_check_results script from /marc/tools -! 50 generate a file containing the resistance or capacity matrix; -! this file can be used to compare results with a reference file -! 51 print out detailed information for segment-to-segment contact -! 52 print out detailed relative displacement information -! for uniaxial sliding contact -! 53 print out detailed sliding direction information for -! uniaxial sliding contact -! 54 print out detailed information for edges attached to a curve -! -! -! irpflo global flag for rigid plastic flow analysis -! = 1 eularian formulation -! = 2 regular formulation; rigid material present in the analysis -! -! jactch = 1 or 2 if elements are activated or deactivated -! = 3 if elements are adaptively remeshed or rezoned -! = 0 normally / reset to 0 when assembly is done -! ifricsh = 0 call to fricsh in otest not needed -! = 1 call to fricsh (nodal friction) in otest needed -! iremkin = 0 remove deactivated kinematic boundary conditions -! immediately - only in new input format (this is default) -! = 1 remove deactivated kinematic boundary conditions -! gradually - only in new input format -! iremfor = 0 remove force boundary conditions immediately - -! only in new input format (this is default) -! = 1 remove force boundary conditions gradually - -! only in new input format (this is default) -! ishearp set to 1 if shear panel elements are present in the model -! -! jspf = 0 not in spf loadcase -! > 0 in spf loadcase (jspf=1 during first increment) -! machining = 1 if the metal cutting feature is used, for memory allocation purpose -! = 0 (default) if no metal cutting feature required -! -! jlshell = 1 if there is a shell element in the mesh -! icompsol = 1 if there is a composite solid element in the mesh -! iupblgfo = 1 if follower force for point loads -! jcondir = 1 if contact priority option is used -! nstcrp = 0 (default) steady state creep flag (undocumented feature. -! if not 0, turns off special ncycle = 0 code in radial.f) -! nactive = number of active passes, if =1 then it's not a coupled analysis -! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref -! icheckmpc = value of mpc-check parameter option -! noline = set to 1 in osolty if no line seacrh should be done in ogetst -! icuring = set to 1 if the curing is included for the heat transfer analysis. -! ishrink = set to 1 if shrinkage strain is included for mechancial analysis. -! ioffsflg = 1 for small displacement beam/shell offsets -! = 2 for large displacement beam/shell offsets -! isetoff = 0 - do not apply beam/shell offsets -! = 1 - apply beam/shell offsets -! ioffsetm = min. value of offset flag -! inc_incdat = flag to record increment number of a new loadcase in incdat.f -! iautspc = flag for AutoSPC option -! ibrake = brake squeal in this increment -! icbush = set to 1 if cbush elements present in model -! istream_input = set to 1 for streaming input calling Marc as library -! iprsinp = set to 1 if pressure input, introduced so other variables -! such as h could be a function of pressure -! ivlsinp = set to 1 if velocity input, introduced so other variables -! such as h could be a function of velocity -! ipin_m = # of beam element with PIN flag -! jgnstr_glb = global control over pre or fast integrated composite shells -! imarc_return = Marc return flag for streaming input control -! iqvcimp = if non-zero, then the number of QVECT boundary conditions -! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered -! istpnx = 1 if to stop at end of increment -! imicro1 = 1 if micro1 interface is used -! iaxisymm = set to 1 if axisymmetric analysis -! jbreakglue = set to 1 if breaking glued option is used -! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9) -! jfastasm = 1 do fast assembly using SuperForm code -! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated -! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation -! imixmeth = set=1 then use nonlinear mixture material - allocate memory -! ielcmadyn = flag for magnetodynamics -! 0 - electromagnetics using newmark beta -! 1 - transient magnetics using backward euler -! idinout = flag to control if inside out elements should be deactivated -! igena_meth = 0 - generalized alpha parameters depend on whether or not contact -! is flagged (dynamic,7) -! 10 - generalized alpha parameters are optimized for a contact -! analysis (dynamic,8) -! 11 - generalized alpha parameters are optimized for an analysis -! without contact (dynamic,8) -! magf_meth = - Method to compute force in magnetostatic - structural -! = 1 - Virtual work method -! = 2 - Maxwell stress tensor -! non_assumed = 1 no assumed strain formulation (forced) -! iredoboudry set to 1 if contact boundary needs to be recalculated -! -!*********************************************************************** diff --git a/lib/MarcInclude/concom2012 b/lib/MarcInclude/concom2012 deleted file mode 100644 index 5f3983b38..000000000 --- a/lib/MarcInclude/concom2012 +++ /dev/null @@ -1,206 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: concom.cmn -! -! MSC.Marc include file -! -integer(pInt) & - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0 -integer(pInt) num_concom -parameter(num_concom=233) -common/marc_concom/& - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva(60), idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush , istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout,igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0 -! -! comments of variables: -! -! ideva(60) - debug print out flag -! 1 print element stiffness matrices, mass matrix -! 2 output matrices used in tying -! 3 force the solution of a nonpositive definite matrix -! 4 print info of connections to each node -! 5 info of gap convergence, internal heat generated, contact -! touching and separation -! 6 nodal value array during rezoning -! 7 tying info in CONRAD GAP option, fluid element numbers in -! CHANNEL option -! 8 output incremental displacements in local coord. system -! 9 latent heat output -! 10 stress-strain in local coord. system -! 11 additional info on interlaminar stress -! 12 output right hand side and solution vector -! 13 info of CPU resources used and memory available on NT -! 14 info of mesh adaption process, 2D outline information -! info of penetration checking for remeshing -! save .fem files after afmesh3d meshing -! 15 surface energy balance flag -! 16 print info regarding pyrolysis -! 17 print info of "streamline topology" -! 18 print mesh data changes after remeshing -! 19 print material flow stress data read in from *.mat file -! if unit flag is on, print out flow stress after conversion -! 20 print information on table input -! 21 print out information regarding kinematic boundary conditions -! 22 print out information regarding dist loads, point loads, film -! and foundations -! 23 print out information about automatic domain decomposition -! 24 print out iteration information in SuperForm status report file -! 25 print out information for ablation -! 26 print out information for films - Table input -! 27 print out the tying forces -! 28 print out for CASI solver, convection, -! 29 DDM single file debug printout -! 30 print out cavity debug info -! 31 print out welding related info -! 32 prints categorized DDM memory usage -! 33 print out the cutting info regarding machining feature -! 34 print out the list of quantities which can be defined via a table -! and for each quantity the supported independent variables -! 35 print out detailed coupling region info -! 36 print out solver debug info level 1 (Least Detailed) -! 37 print out solver debug info level 1 (Medium Detailed) -! 38 print out solver debug info level 1 (Very Detailed) -! 39 print detailed memory allocation info -! 40 print out marc-adams debug info -! 41 output rezone mapping post file for debugging -! 42 output post file after calling oprofos() for debugging -! 43 debug printout for vcct -! 44 debug printout for progressive failure -! 45 print out automatically generated midside node coordinates (arecrd) -! 46 print out message about routine and location, where the ibort is raised (ibort_inc) -! 47 print out summary message of element variables on a -! group-basis after all the automatic changes have been -! made (em_ellibp) -! 48 Automatically generate check results based on max and min vals. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the generate_check_results script from /marc/tools -! 49 Automatically generate check results based on the real calculated values -! at the sppecified check result locations. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the update_check_results script from /marc/tools -! 50 generate a file containing the resistance or capacity matrix; -! this file can be used to compare results with a reference file -! 51 print out detailed information for segment-to-segment contact -! 52 print out detailed relative displacement information -! for uniaxial sliding contact -! 53 print out detailed sliding direction information for -! uniaxial sliding contact -! 54 print out detailed information for edges attached to a curve -! -! -! irpflo global flag for rigid plastic flow analysis -! = 1 eularian formulation -! = 2 regular formulation; rigid material present in the analysis -! -! jactch = 1 or 2 if elements are activated or deactivated -! = 3 if elements are adaptively remeshed or rezoned -! = 0 normally / reset to 0 when assembly is done -! ifricsh = 0 call to fricsh in otest not needed -! = 1 call to fricsh (nodal friction) in otest needed -! iremkin = 0 remove deactivated kinematic boundary conditions -! immediately - only in new input format (this is default) -! = 1 remove deactivated kinematic boundary conditions -! gradually - only in new input format -! iremfor = 0 remove force boundary conditions immediately - -! only in new input format (this is default) -! = 1 remove force boundary conditions gradually - -! only in new input format (this is default) -! ishearp set to 1 if shear panel elements are present in the model -! -! jspf = 0 not in spf loadcase -! > 0 in spf loadcase (jspf=1 during first increment) -! machining = 1 if the metal cutting feature is used, for memory allocation purpose -! = 0 (default) if no metal cutting feature required -! -! jlshell = 1 if there is a shell element in the mesh -! icompsol = 1 if there is a composite solid element in the mesh -! iupblgfo = 1 if follower force for point loads -! jcondir = 1 if contact priority option is used -! nstcrp = 0 (default) steady state creep flag (undocumented feature. -! if not 0, turns off special ncycle = 0 code in radial.f) -! nactive = number of active passes, if =1 then it's not a coupled analysis -! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref -! icheckmpc = value of mpc-check parameter option -! noline = set to 1 in osolty if no line seacrh should be done in ogetst -! icuring = set to 1 if the curing is included for the heat transfer analysis. -! ishrink = set to 1 if shrinkage strain is included for mechancial analysis. -! ioffsflg = 1 for small displacement beam/shell offsets -! = 2 for large displacement beam/shell offsets -! isetoff = 0 - do not apply beam/shell offsets -! = 1 - apply beam/shell offsets -! ioffsetm = min. value of offset flag -! inc_incdat = flag to record increment number of a new loadcase in incdat.f -! iautspc = flag for AutoSPC option -! ibrake = brake squeal in this increment -! icbush = set to 1 if cbush elements present in model -! istream_input = set to 1 for streaming input calling Marc as library -! iprsinp = set to 1 if pressure input, introduced so other variables -! such as h could be a function of pressure -! ivlsinp = set to 1 if velocity input, introduced so other variables -! such as h could be a function of velocity -! ipin_m = # of beam element with PIN flag -! jgnstr_glb = global control over pre or fast integrated composite shells -! imarc_return = Marc return flag for streaming input control -! iqvcimp = if non-zero, then the number of QVECT boundary conditions -! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered -! istpnx = 1 if to stop at end of increment -! imicro1 = 1 if micro1 interface is used -! iaxisymm = set to 1 if axisymmetric analysis -! jbreakglue = set to 1 if breaking glued option is used -! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9) -! jfastasm = 1 do fast assembly using SuperForm code -! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated -! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation -! imixmeth = set=1 then use nonlinear mixture material - allocate memory -! ielcmadyn = flag for magnetodynamics -! 0 - electromagnetics using newmark beta -! 1 - transient magnetics using backward euler -! idinout = flag to control if inside out elements should be deactivated -! igena_meth = 0 - generalized alpha parameters depend on whether or not contact -! is flagged (dynamic,7) -! 10 - generalized alpha parameters are optimized for a contact -! analysis (dynamic,8) -! 11 - generalized alpha parameters are optimized for an analysis -! without contact (dynamic,8) -! magf_meth = - Method to compute force in magnetostatic - structural -! = 1 - Virtual work method -! = 2 - Maxwell stress tensor -! non_assumed = 1 no assumed strain formulation (forced) -! iredoboudry set to 1 if contact boundary needs to be recalculated -! ioffsz0 = 1 if composite are used with reference position.ne.0 -! -!*********************************************************************** diff --git a/lib/MarcInclude/concom2013 b/lib/MarcInclude/concom2013 deleted file mode 100644 index 4b4e567d4..000000000 --- a/lib/MarcInclude/concom2013 +++ /dev/null @@ -1,217 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: concom.cmn -! -! MSC.Marc include file -! -integer(pInt) & - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton -dimension :: ideva(60) -integer(pInt) num_concom -parameter(num_concom=237) -common/marc_concom/& - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush , istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout,igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton -! -! comments of variables: -! -! ideva(60) - debug print out flag -! 1 print element stiffness matrices, mass matrix -! 2 output matrices used in tying -! 3 force the solution of a nonpositive definite matrix -! 4 print info of connections to each node -! 5 info of gap convergence, internal heat generated, contact -! touching and separation -! 6 nodal value array during rezoning -! 7 tying info in CONRAD GAP option, fluid element numbers in -! CHANNEL option -! 8 output incremental displacements in local coord. system -! 9 latent heat output -! 10 stress-strain in local coord. system -! 11 additional info on interlaminar stress -! 12 output right hand side and solution vector -! 13 info of CPU resources used and memory available on NT -! 14 info of mesh adaption process, 2D outline information -! info of penetration checking for remeshing -! save .fem files after afmesh3d meshing -! 15 surface energy balance flag -! 16 print info regarding pyrolysis -! 17 print info of "streamline topology" -! 18 print mesh data changes after remeshing -! 19 print material flow stress data read in from *.mat file -! if unit flag is on, print out flow stress after conversion -! 20 print information on table input -! 21 print out information regarding kinematic boundary conditions -! 22 print out information regarding dist loads, point loads, film -! and foundations -! 23 print out information about automatic domain decomposition -! 24 print out iteration information in SuperForm status report file -! 25 print out information for ablation -! 26 print out information for films - Table input -! 27 print out the tying forces -! 28 print out for CASI solver, convection, -! 29 DDM single file debug printout -! 30 print out cavity debug info -! 31 print out welding related info -! 32 prints categorized DDM memory usage -! 33 print out the cutting info regarding machining feature -! 34 print out the list of quantities which can be defined via a table -! and for each quantity the supported independent variables -! 35 print out detailed coupling region info -! 36 print out solver debug info level 1 (Least Detailed) -! 37 print out solver debug info level 1 (Medium Detailed) -! 38 print out solver debug info level 1 (Very Detailed) -! 39 print detailed memory allocation info -! 40 print out marc-adams debug info -! 41 output rezone mapping post file for debugging -! 42 output post file after calling oprofos() for debugging -! 43 debug printout for vcct -! 44 debug printout for progressive failure -! 45 print out automatically generated midside node coordinates (arecrd) -! 46 print out message about routine and location, where the ibort is raised (ibort_inc) -! 47 print out summary message of element variables on a -! group-basis after all the automatic changes have been -! made (em_ellibp) -! 48 Automatically generate check results based on max and min vals. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the generate_check_results script from /marc/tools -! 49 Automatically generate check results based on the real calculated values -! at the sppecified check result locations. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the update_check_results script from /marc/tools -! 50 generate a file containing the resistance or capacity matrix; -! this file can be used to compare results with a reference file -! 51 print out detailed information for segment-to-segment contact -! 52 print out detailed relative displacement information -! for uniaxial sliding contact -! 53 print out detailed sliding direction information for -! uniaxial sliding contact -! 54 print out detailed information for edges attached to a curve -! 55 print information related to viscoelasticity calculations -! 56 print out detailed information for element coloring for multithreading -! -! -! irpflo global flag for rigid plastic flow analysis -! = 1 eularian formulation -! = 2 regular formulation; rigid material present in the analysis -! -! jactch = 1 or 2 if elements are activated or deactivated -! = 3 if elements are adaptively remeshed or rezoned -! = 0 normally / reset to 0 when assembly is done -! ifricsh = 0 call to fricsh in otest not needed -! = 1 call to fricsh (nodal friction) in otest needed -! iremkin = 0 remove deactivated kinematic boundary conditions -! immediately - only in new input format (this is default) -! = 1 remove deactivated kinematic boundary conditions -! gradually - only in new input format -! iremfor = 0 remove force boundary conditions immediately - -! only in new input format (this is default) -! = 1 remove force boundary conditions gradually - -! only in new input format (this is default) -! ishearp set to 1 if shear panel elements are present in the model -! -! jspf = 0 not in spf loadcase -! > 0 in spf loadcase (jspf=1 during first increment) -! machining = 1 if the metal cutting feature is used, for memory allocation purpose -! = 0 (default) if no metal cutting feature required -! -! jlshell = 1 if there is a shell element in the mesh -! icompsol = 1 if there is a composite solid element in the mesh -! iupblgfo = 1 if follower force for point loads -! jcondir = 1 if contact priority option is used -! nstcrp = 0 (default) steady state creep flag (undocumented feature. -! if not 0, turns off special ncycle = 0 code in radial.f) -! nactive = number of active passes, if =1 then it's not a coupled analysis -! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref -! icheckmpc = value of mpc-check parameter option -! noline = set to 1 in osolty if no line seacrh should be done in ogetst -! icuring = set to 1 if the curing is included for the heat transfer analysis. -! ishrink = set to 1 if shrinkage strain is included for mechancial analysis. -! ioffsflg = 1 for small displacement beam/shell offsets -! = 2 for large displacement beam/shell offsets -! isetoff = 0 - do not apply beam/shell offsets -! = 1 - apply beam/shell offsets -! ioffsetm = min. value of offset flag -! iharmt = 1 global flag if a coupled analysis contains an harmonic pass -! inc_incdat = flag to record increment number of a new loadcase in incdat.f -! iautspc = flag for AutoSPC option -! ibrake = brake squeal in this increment -! icbush = set to 1 if cbush elements present in model -! istream_input = set to 1 for streaming input calling Marc as library -! iprsinp = set to 1 if pressure input, introduced so other variables -! such as h could be a function of pressure -! ivlsinp = set to 1 if velocity input, introduced so other variables -! such as h could be a function of velocity -! ipin_m = # of beam element with PIN flag -! jgnstr_glb = global control over pre or fast integrated composite shells -! imarc_return = Marc return flag for streaming input control -! iqvcimp = if non-zero, then the number of QVECT boundary conditions -! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered -! istpnx = 1 if to stop at end of increment -! imicro1 = 1 if micro1 interface is used -! iaxisymm = set to 1 if axisymmetric analysis -! jbreakglue = set to 1 if breaking glued option is used -! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9) -! jfastasm = 1 do fast assembly using SuperForm code -! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated -! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation -! imixmeth = set=1 then use nonlinear mixture material - allocate memory -! ielcmadyn = flag for magnetodynamics -! 0 - electromagnetics using newmark beta -! 1 - transient magnetics using backward euler -! idinout = flag to control if inside out elements should be deactivated -! igena_meth = 0 - generalized alpha parameters depend on whether or not contact -! is flagged (dynamic,7) -! 10 - generalized alpha parameters are optimized for a contact -! analysis (dynamic,8) -! 11 - generalized alpha parameters are optimized for an analysis -! without contact (dynamic,8) -! magf_meth = - Method to compute force in magnetostatic - structural -! = 1 - Virtual work method based on finite difference for the force computation -! = 2 - Maxwell stress tensor -! = 3 - Virtual work method based on local derivative for the force computation -! non_assumed = 1 no assumed strain formulation (forced) -! iredoboudry set to 1 if contact boundary needs to be recalculated -! ioffsz0 = 1 if composite are used with reference position.ne.0 -! icomplt = 1 global flag if a coupled analysis contains an complex pass -! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural -! one for magnetodynamic and the other for the remaining passes -! iactrp = 1 in an analysis with global remeshing, include inactive -! rigid bodies on post file -! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass -! -!*********************************************************************** diff --git a/lib/MarcInclude/concom2013.1 b/lib/MarcInclude/concom2013.1 deleted file mode 100644 index 2072929ab..000000000 --- a/lib/MarcInclude/concom2013.1 +++ /dev/null @@ -1,224 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: concom.cmn -! -! MSC.Marc include file -! -integer(pInt) & - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens -dimension :: ideva(60) -integer(pInt) num_concom -parameter(num_concom=238) -common/marc_concom/& - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush , istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout,igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens -! -! comments of variables: -! -! ideva(60) - debug print out flag -! 1 print element stiffness matrices, mass matrix -! 2 output matrices used in tying -! 3 force the solution of a nonpositive definite matrix -! 4 print info of connections to each node -! 5 info of gap convergence, internal heat generated, contact -! touching and separation -! 6 nodal value array during rezoning -! 7 tying info in CONRAD GAP option, fluid element numbers in -! CHANNEL option -! 8 output incremental displacements in local coord. system -! 9 latent heat output -! 10 stress-strain in local coord. system -! 11 additional info on interlaminar stress -! 12 output right hand side and solution vector -! 13 info of CPU resources used and memory available on NT -! 14 info of mesh adaption process, 2D outline information -! info of penetration checking for remeshing -! save .fem files after afmesh3d meshing -! 15 surface energy balance flag -! 16 print info regarding pyrolysis -! 17 print info of "streamline topology" -! 18 print mesh data changes after remeshing -! 19 print material flow stress data read in from *.mat file -! if unit flag is on, print out flow stress after conversion -! 20 print information on table input -! 21 print out information regarding kinematic boundary conditions -! 22 print out information regarding dist loads, point loads, film -! and foundations -! 23 print out information about automatic domain decomposition -! 24 print out iteration information in SuperForm status report file -! 25 print out information for ablation -! 26 print out information for films - Table input -! 27 print out the tying forces -! 28 print out for CASI solver, convection, -! 29 DDM single file debug printout -! 30 print out cavity debug info -! 31 print out welding related info -! 32 prints categorized DDM memory usage -! 33 print out the cutting info regarding machining feature -! 34 print out the list of quantities which can be defined via a table -! and for each quantity the supported independent variables -! 35 print out detailed coupling region info -! 36 print out solver debug info level 1 (Least Detailed) -! 37 print out solver debug info level 1 (Medium Detailed) -! 38 print out solver debug info level 1 (Very Detailed) -! 39 print detailed memory allocation info -! 40 print out marc-adams debug info -! 41 output rezone mapping post file for debugging -! 42 output post file after calling oprofos() for debugging -! 43 debug printout for vcct -! 44 debug printout for progressive failure -! 45 print out automatically generated midside node coordinates (arecrd) -! 46 print out message about routine and location, where the ibort is raised (ibort_inc) -! 47 print out summary message of element variables on a -! group-basis after all the automatic changes have been -! made (em_ellibp) -! 48 Automatically generate check results based on max and min vals. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the generate_check_results script from /marc/tools -! 49 Automatically generate check results based on the real calculated values -! at the sppecified check result locations. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the update_check_results script from /marc/tools -! 50 generate a file containing the resistance or capacity matrix; -! this file can be used to compare results with a reference file -! 51 print out detailed information for segment-to-segment contact -! 52 print out detailed relative displacement information -! for uniaxial sliding contact -! 53 print out detailed sliding direction information for -! uniaxial sliding contact -! 54 print out detailed information for edges attached to a curve -! 55 print information related to viscoelasticity calculations -! 56 print out detailed information for element coloring for multithreading -! 57 print out extra overheads due to multi-threading. -! These overhead includes (i) time and (ii) memory. -! The memory report will be summed over all the children. -! -! -! irpflo global flag for rigid plastic flow analysis -! = 1 eularian formulation -! = 2 regular formulation; rigid material present in the analysis -! -! jactch = 1 or 2 if elements are activated or deactivated -! = 3 if elements are adaptively remeshed or rezoned -! = 0 normally / reset to 0 when assembly is done -! ifricsh = 0 call to fricsh in otest not needed -! = 1 call to fricsh (nodal friction) in otest needed -! iremkin = 0 remove deactivated kinematic boundary conditions -! immediately - only in new input format (this is default) -! = 1 remove deactivated kinematic boundary conditions -! gradually - only in new input format -! iremfor = 0 remove force boundary conditions immediately - -! only in new input format (this is default) -! = 1 remove force boundary conditions gradually - -! only in new input format (this is default) -! ishearp set to 1 if shear panel elements are present in the model -! -! jspf = 0 not in spf loadcase -! > 0 in spf loadcase (jspf=1 during first increment) -! machining = 1 if the metal cutting feature is used, for memory allocation purpose -! = 0 (default) if no metal cutting feature required -! -! jlshell = 1 if there is a shell element in the mesh -! icompsol = 1 if there is a composite solid element in the mesh -! iupblgfo = 1 if follower force for point loads -! jcondir = 1 if contact priority option is used -! nstcrp = 0 (default) steady state creep flag (undocumented feature. -! if not 0, turns off special ncycle = 0 code in radial.f) -! nactive = number of active passes, if =1 then it's not a coupled analysis -! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref -! icheckmpc = value of mpc-check parameter option -! noline = set to 1 in osolty if no line seacrh should be done in ogetst -! icuring = set to 1 if the curing is included for the heat transfer analysis. -! ishrink = set to 1 if shrinkage strain is included for mechancial analysis. -! ioffsflg = 1 for small displacement beam/shell offsets -! = 2 for large displacement beam/shell offsets -! isetoff = 0 - do not apply beam/shell offsets -! = 1 - apply beam/shell offsets -! ioffsetm = min. value of offset flag -! iharmt = 1 global flag if a coupled analysis contains an harmonic pass -! inc_incdat = flag to record increment number of a new loadcase in incdat.f -! iautspc = flag for AutoSPC option -! ibrake = brake squeal in this increment -! icbush = set to 1 if cbush elements present in model -! istream_input = set to 1 for streaming input calling Marc as library -! iprsinp = set to 1 if pressure input, introduced so other variables -! such as h could be a function of pressure -! ivlsinp = set to 1 if velocity input, introduced so other variables -! such as h could be a function of velocity -! ipin_m = # of beam element with PIN flag -! jgnstr_glb = global control over pre or fast integrated composite shells -! imarc_return = Marc return flag for streaming input control -! iqvcimp = if non-zero, then the number of QVECT boundary conditions -! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered -! istpnx = 1 if to stop at end of increment -! imicro1 = 1 if micro1 interface is used -! iaxisymm = set to 1 if axisymmetric analysis -! jbreakglue = set to 1 if breaking glued option is used -! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9) -! jfastasm = 1 do fast assembly using SuperForm code -! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated -! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation -! imixmeth = set=1 then use nonlinear mixture material - allocate memory -! ielcmadyn = flag for magnetodynamics -! 0 - electromagnetics using newmark beta -! 1 - transient magnetics using backward euler -! idinout = flag to control if inside out elements should be deactivated -! igena_meth = 0 - generalized alpha parameters depend on whether or not contact -! is flagged (dynamic,7) -! 10 - generalized alpha parameters are optimized for a contact -! analysis (dynamic,8) -! 11 - generalized alpha parameters are optimized for an analysis -! without contact (dynamic,8) -! magf_meth = - Method to compute force in magnetostatic - structural -! = 1 - Virtual work method based on finite difference for the force computation -! = 2 - Maxwell stress tensor -! = 3 - Virtual work method based on local derivative for the force computation -! non_assumed = 1 no assumed strain formulation (forced) -! iredoboudry set to 1 if contact boundary needs to be recalculated -! ioffsz0 = 1 if composite are used with reference position.ne.0 -! icomplt = 1 global flag if a coupled analysis contains an complex pass -! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural -! one for magnetodynamic and the other for the remaining passes -! iactrp = 1 in an analysis with global remeshing, include inactive -! rigid bodies on post file -! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass -! -! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading) -! -!*********************************************************************** -!$omp threadprivate(/marc_concom/) -!! diff --git a/lib/MarcInclude/concom2014 b/lib/MarcInclude/concom2014 deleted file mode 100644 index 5fa1d7cca..000000000 --- a/lib/MarcInclude/concom2014 +++ /dev/null @@ -1,411 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: concom.cmn -! -! MSC.Marc include file -! -integer(pInt) & - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,& - iaem -dimension :: ideva(60) -integer(pInt) num_concom -parameter(num_concom=240) -common/marc_concom/& - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush , istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout,igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,& - iaem -! -! comments of variables: -! -! iacous Control flag for acoustic analysis. Input data. -! iacous=1 modal acoustic analysis. -! iacous=2 harmonic acoustic-structural analysis. -! iasmbl Control flag to indicate that operator matrix should be -! recalculated. -! iautth Control flag for AUTO THERM option. -! ibear Control flag for bearing analysis. Input data. -! icompl Control variable to indicate that a complex analysis is -! being performed. Either a Harmonic analysis with damping, -! or a harmonic electro-magnetic analysis. Input data. -! iconj Flag for EBE conjugate gradient solver (=solver 1, retired) -! Also used for VKI iterative solver. -! icreep Control flag for creep analysis. Input data. -! ideva(60) - debug print out flag -! 1 print element stiffness matrices, mass matrix -! 2 output matrices used in tying -! 3 force the solution of a nonpositive definite matrix -! 4 print info of connections to each node -! 5 info of gap convergence, internal heat generated, contact -! touching and separation -! 6 nodal value array during rezoning -! 7 tying info in CONRAD GAP option, fluid element numbers in -! CHANNEL option -! 8 output incremental displacements in local coord. system -! 9 latent heat output -! 10 stress-strain in local coord. system -! 11 additional info on interlaminar stress -! 12 output right hand side and solution vector -! 13 info of CPU resources used and memory available on NT -! 14 info of mesh adaption process, 2D outline information -! info of penetration checking for remeshing -! save .fem files after afmesh3d meshing -! 15 surface energy balance flag -! 16 print info regarding pyrolysis -! 17 print info of "streamline topology" -! 18 print mesh data changes after remeshing -! 19 print material flow stress data read in from *.mat file -! if unit flag is on, print out flow stress after conversion -! 20 print information on table input -! 21 print out information regarding kinematic boundary conditions -! 22 print out information regarding dist loads, point loads, film -! and foundations -! 23 print out information about automatic domain decomposition -! 24 print out iteration information in SuperForm status report file -! 25 print out information for ablation -! 26 print out information for films - Table input -! 27 print out the tying forces -! 28 print out for CASI solver, convection, -! 29 DDM single file debug printout -! 30 print out cavity debug info -! 31 print out welding related info -! 32 prints categorized DDM memory usage -! 33 print out the cutting info regarding machining feature -! 34 print out the list of quantities which can be defined via a table -! and for each quantity the supported independent variables -! 35 print out detailed coupling region info -! 36 print out solver debug info level 1 (Least Detailed) -! 37 print out solver debug info level 1 (Medium Detailed) -! 38 print out solver debug info level 1 (Very Detailed) -! 39 print detailed memory allocation info -! 40 print out marc-adams debug info -! 41 output rezone mapping post file for debugging -! 42 output post file after calling oprofos() for debugging -! 43 debug printout for vcct -! 44 debug printout for progressive failure -! 45 print out automatically generated midside node coordinates (arecrd) -! 46 print out message about routine and location, where the ibort is raised (ibort_inc) -! 47 print out summary message of element variables on a -! group-basis after all the automatic changes have been -! made (em_ellibp) -! 48 Automatically generate check results based on max and min vals. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the generate_check_results script from /marc/tools -! 49 Automatically generate check results based on the real calculated values -! at the sppecified check result locations. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the update_check_results script from /marc/tools -! 50 generate a file containing the resistance or capacity matrix; -! this file can be used to compare results with a reference file -! 51 print out detailed information for segment-to-segment contact -! 52 print out detailed relative displacement information -! for uniaxial sliding contact -! 53 print out detailed sliding direction information for -! uniaxial sliding contact -! 54 print out detailed information for edges attached to a curve -! 55 print information related to viscoelasticity calculations -! 56 print out detailed information for element coloring for multithreading -! 57 print out extra overheads due to multi-threading. -! These overhead includes (i) time and (ii) memory. -! The memory report will be summed over all the children. -! -! -! 58 debug output for ELSTO usage -! -! idyn Control flag for dynamics. Input data. -! 1 = eigenvalue extraction and / or modal superposition -! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1) -! 3 = Houbolt -! 4 = Central difference -! 5 = Newer central difference -! idynt Copy of idyn at begining of increment -! ielas Control flag for ELASTIC analysis. Input data. -! Set by user or automatically turned on by Fourier option. -! Implies that each load case is treated separately. -! In Adaptive meshing analysis , forces re-analysis until -! convergence obtained. -! Also seriously misused to indicate no convergence. -! = 1 elastic option with fourier analysis -! = 2 elastic option without fourier analysis -! =-1 no convergence in recycles or max # increments reached -! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used, -! or if fourier option is used. -! Then set to 2 if not fourier analysis. -! ielcma Control flag for electromagnetic analysis. Input data. -! ielcma = 1 Harmonic formulation -! ielcma = 2 Transient formulation -! ielect Control flag for electrostatic option. Input data. -! iform Control flag indicating that contact will be performed. -! ifour Control flag for Fourier analysis. -! 0 = Odd and even terms. -! 1 = symmetric (cosine) terms -! 2 = antisymmetric (sine) terms. -! iharm Control flag to indicate that a harmonic analysis will -! be performed. May change between passes. -! ihcps Control flag for coupled thermal - stress analysis. -! iheat Control flag for heat transfer analysis. Input data. -! iheatt Permanent control flag for heat transfer analysis. -! Note in coupled analysis iheatt will remain as one, -! but iheat will be zero in stress pass. -! ihresp Control flag to indicate to perform a harmonic subincrement. -! ijoule Control flag for Joule heating. -! ilem Control flag to determin which vector is to be transformed. -! Control flag to see where one is: -! ilem = 1 - elem.f -! ilem = 2 - initst.f -! ilem = 3 - pressr.f -! ilem = 3 - fstif.f -! ilem = 4 - jflux.f -! ilem = 4 - strass.f -! ilem = 5 - mass.f -! ilem = 5 - osolty.f -! ilnmom Control flag for soil - pore pressure calculation. Input data. -! ilnmom = 0 - perform only pore pressure calculation. -! = 1 - couples pore pressure - displacement analysis -! iloren Control flag for DeLorenzi J-Integral evaluation. Input data. -! inc Increment number. -! incext Control flag indicating that currently working on a -! subincrement. -! Could be due to harmonics , damping component (bearing), -! stiffness component (bearing), auto therm creep or -! old viscoplaticity -! incsub Sub-increment number. -! ipass Control flag for which part of coupled analysis. -! ipass = -1 - reset to base values -! ipass = 0 - do nothing -! ipass = 1 - stress part -! ipass = 2 - heat transfer part -! iplres Flag indicating that either second matrix is stored. -! dynamic analysis - mass matrix -! heat transfer - specific heat matrix -! buckle - initial stress stiffness -! ipois Control flag indicating Poisson type analysis -! ipois = 1 for heat transfer -! = 1 for heat transfer part of coupled -! = 1 for bearing -! = 1 for electrostatic -! = 1 for magnetostatic -! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0 -! in stress portion, yet ipoist will still =1. -! irpflo global flag for rigid plastic flow analysis -! = 1 eularian formulation -! = 2 regular formulation; rigid material present in the analysis - -! ismall control flag to indicate small displacement analysis. input data. -! ismall = 0 - large disp included. -! ismall = 1 - small displacement. -! the flag is changing between passes. -! ismalt permanent copy of ismall . in heat transfer portion of -! coupled analysis ismall =0 , but ismalt remains the same. -! isoil control flag indicating that soil / pore pressure -! calculation . input data. -! ispect control flag for response spectrum calculation. input data. -! ispnow control flag to indicate to perform a spectrum response -! calculation now. -! istore store stresses flag. -! istore = 0 in elem.f and if first pass of creep -! convergence checking in ogetst.f -! or harmonic analysis or thruc.f if not -! converged. -! iswep control flag for eigenvalue analysis. -! iswep=1 - go do extraction process -! ithcrp control flag for auto therm creep option. input data. -! itherm control flag for either temperature dependent material -! properties and/or thermal loads. -! iupblg control flag for follower force option. input data. -! iupdat control flag for update lagrange option for current element. -! jacflg control flag for lanczos iteration method. input data. -! jel control flag indicating that total load applied in -! increment, ignore previous solution. -! jel = 1 in increment 0 -! = 1 if elastic or fourier -! = 1 in subincrements with elastic and adaptive -! jparks control flag for j integral by parks method. input data. -! largst control flag for finite strain plasticity. input data. -! lfond control variable that indicates if doing elastic -! foundation or film calculation. influences whether -! this is volumetric or surface integration. -! loadup control flag that indicates that nonlinearity occurred -! during previous increment. -! loaduq control flag that indicates that nonlinearity occurred. -! lodcor control flag for switching on the residual load correction. -! notice in input stage lodcor=0 means no loadcor, -! after omarc lodcor=1 means no loadcor -! lovl control flag for determining which "overlay" is to -! be called from ellib. -! lovl = 1 omarc -! = 2 oaread -! = 3 opress -! = 4 oasemb -! = 5 osolty -! = 6 ogetst -! = 7 oscinc -! = 8 odynam -! = 9 opmesh -! = 10 omesh2 -! = 11 osetz -! = 12 oass -! = 13 oincdt -! = 14 oasmas -! = 15 ofluas -! = 16 ofluso -! = 17 oshtra -! = 18 ocass -! = 19 osoltc -! = 20 orezon -! = 21 otest -! = 22 oeigen -! lsub control variable to determine which part of element -! assembly function is being done. -! lsub = 1 - no longer used -! = 2 - beta* -! = 3 - cons* -! = 4 - ldef* -! = 5 - posw* -! = 6 - theta* -! = 7 - tmarx* -! = 8 - geom* -! magnet control flag for magnetostatic analysis. input data. -! ncycle cycle number. accumulated in osolty.f -! note first time through oasemb.f , ncycle = 0. -! newtnt control flag for permanent copy of newton. -! newton iteration type. input data. -! newton : = 1 full newton raphson -! 2 modified newton raphson -! 3 newton raphson with strain correct. -! 4 direct substitution -! 5 direct substitution followed by n.r. -! 6 direct substitution with line search -! 7 full newton raphson with secant initial stress -! 8 secant method -! 9 full newton raphson with line search -! noshr control flag for calculation interlaminar shears for -! elements 22,45, and 75. input data. -!ees -! -! jactch = 1 or 2 if elements are activated or deactivated -! = 3 if elements are adaptively remeshed or rezoned -! = 0 normally / reset to 0 when assembly is done -! ifricsh = 0 call to fricsh in otest not needed -! = 1 call to fricsh (nodal friction) in otest needed -! iremkin = 0 remove deactivated kinematic boundary conditions -! immediately - only in new input format (this is default) -! = 1 remove deactivated kinematic boundary conditions -! gradually - only in new input format -! iremfor = 0 remove force boundary conditions immediately - -! only in new input format (this is default) -! = 1 remove force boundary conditions gradually - -! only in new input format (this is default) -! ishearp set to 1 if shear panel elements are present in the model -! -! jspf = 0 not in spf loadcase -! > 0 in spf loadcase (jspf=1 during first increment) -! machining = 1 if the metal cutting feature is used, for memory allocation purpose -! = 0 (default) if no metal cutting feature required -! -! jlshell = 1 if there is a shell element in the mesh -! icompsol = 1 if there is a composite solid element in the mesh -! iupblgfo = 1 if follower force for point loads -! jcondir = 1 if contact priority option is used -! nstcrp = 0 (default) steady state creep flag (undocumented feature. -! if not 0, turns off special ncycle = 0 code in radial.f) -! nactive = number of active passes, if =1 then it's not a coupled analysis -! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref -! icheckmpc = value of mpc-check parameter option -! noline = set to 1 in osolty if no line seacrh should be done in ogetst -! icuring = set to 1 if the curing is included for the heat transfer analysis. -! ishrink = set to 1 if shrinkage strain is included for mechancial analysis. -! ioffsflg = 1 for small displacement beam/shell offsets -! = 2 for large displacement beam/shell offsets -! isetoff = 0 - do not apply beam/shell offsets -! = 1 - apply beam/shell offsets -! ioffsetm = min. value of offset flag -! iharmt = 1 global flag if a coupled analysis contains an harmonic pass -! inc_incdat = flag to record increment number of a new loadcase in incdat.f -! iautspc = flag for AutoSPC option -! ibrake = brake squeal in this increment -! icbush = set to 1 if cbush elements present in model -! istream_input = set to 1 for streaming input calling Marc as library -! iprsinp = set to 1 if pressure input, introduced so other variables -! such as h could be a function of pressure -! ivlsinp = set to 1 if velocity input, introduced so other variables -! such as h could be a function of velocity -! ipin_m = # of beam element with PIN flag -! jgnstr_glb = global control over pre or fast integrated composite shells -! imarc_return = Marc return flag for streaming input control -! iqvcimp = if non-zero, then the number of QVECT boundary conditions -! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered -! istpnx = 1 if to stop at end of increment -! imicro1 = 1 if micro1 interface is used -! iaxisymm = set to 1 if axisymmetric analysis -! jbreakglue = set to 1 if breaking glued option is used -! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9) -! jfastasm = 1 do fast assembly using SuperForm code -! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated -! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation -! imixmeth = set=1 then use nonlinear mixture material - allocate memory -! ielcmadyn = flag for magnetodynamics -! 0 - electromagnetics using newmark beta -! 1 - transient magnetics using backward euler -! idinout = flag to control if inside out elements should be deactivated -! igena_meth = 0 - generalized alpha parameters depend on whether or not contact -! is flagged (dynamic,7) -! 10 - generalized alpha parameters are optimized for a contact -! analysis (dynamic,8) -! 11 - generalized alpha parameters are optimized for an analysis -! without contact (dynamic,8) -! magf_meth = - Method to compute force in magnetostatic - structural -! = 1 - Virtual work method based on finite difference for the force computation -! = 2 - Maxwell stress tensor -! = 3 - Virtual work method based on local derivative for the force computation -! non_assumed = 1 no assumed strain formulation (forced) -! iredoboudry set to 1 if contact boundary needs to be recalculated -! ioffsz0 = 1 if composite are used with reference position.ne.0 -! icomplt = 1 global flag if a coupled analysis contains an complex pass -! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural -! one for magnetodynamic and the other for the remaining passes -! iactrp = 1 in an analysis with global remeshing, include inactive -! rigid bodies on post file -! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass -! -! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading) -! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb -! iaem = 1 if marc is called from aem (0 - off - default) -! -! -!*********************************************************************** -!$omp threadprivate(/marc_concom/) -!! diff --git a/lib/MarcInclude/concom2014.2 b/lib/MarcInclude/concom2014.2 deleted file mode 100644 index bae1824c1..000000000 --- a/lib/MarcInclude/concom2014.2 +++ /dev/null @@ -1,412 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: concom.cmn -! -! MSC.Marc include file -! -integer(pInt) & - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,& - iaem, icosim -dimension :: ideva(60) -integer(pInt) num_concom -parameter(num_concom=241) -common/marc_concom/& - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush , istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout,igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,& - iaem, icosim -! -! comments of variables: -! -! iacous Control flag for acoustic analysis. Input data. -! iacous=1 modal acoustic analysis. -! iacous=2 harmonic acoustic-structural analysis. -! iasmbl Control flag to indicate that operator matrix should be -! recalculated. -! iautth Control flag for AUTO THERM option. -! ibear Control flag for bearing analysis. Input data. -! icompl Control variable to indicate that a complex analysis is -! being performed. Either a Harmonic analysis with damping, -! or a harmonic electro-magnetic analysis. Input data. -! iconj Flag for EBE conjugate gradient solver (=solver 1, retired) -! Also used for VKI iterative solver. -! icreep Control flag for creep analysis. Input data. -! ideva(60) - debug print out flag -! 1 print element stiffness matrices, mass matrix -! 2 output matrices used in tying -! 3 force the solution of a nonpositive definite matrix -! 4 print info of connections to each node -! 5 info of gap convergence, internal heat generated, contact -! touching and separation -! 6 nodal value array during rezoning -! 7 tying info in CONRAD GAP option, fluid element numbers in -! CHANNEL option -! 8 output incremental displacements in local coord. system -! 9 latent heat output -! 10 stress-strain in local coord. system -! 11 additional info on interlaminar stress -! 12 output right hand side and solution vector -! 13 info of CPU resources used and memory available on NT -! 14 info of mesh adaption process, 2D outline information -! info of penetration checking for remeshing -! save .fem files after afmesh3d meshing -! 15 surface energy balance flag -! 16 print info regarding pyrolysis -! 17 print info of "streamline topology" -! 18 print mesh data changes after remeshing -! 19 print material flow stress data read in from *.mat file -! if unit flag is on, print out flow stress after conversion -! 20 print information on table input -! 21 print out information regarding kinematic boundary conditions -! 22 print out information regarding dist loads, point loads, film -! and foundations -! 23 print out information about automatic domain decomposition -! 24 print out iteration information in SuperForm status report file -! 25 print out information for ablation -! 26 print out information for films - Table input -! 27 print out the tying forces -! 28 print out for CASI solver, convection, -! 29 DDM single file debug printout -! 30 print out cavity debug info -! 31 print out welding related info -! 32 prints categorized DDM memory usage -! 33 print out the cutting info regarding machining feature -! 34 print out the list of quantities which can be defined via a table -! and for each quantity the supported independent variables -! 35 print out detailed coupling region info -! 36 print out solver debug info level 1 (Least Detailed) -! 37 print out solver debug info level 1 (Medium Detailed) -! 38 print out solver debug info level 1 (Very Detailed) -! 39 print detailed memory allocation info -! 40 print out marc-adams debug info -! 41 output rezone mapping post file for debugging -! 42 output post file after calling oprofos() for debugging -! 43 debug printout for vcct -! 44 debug printout for progressive failure -! 45 print out automatically generated midside node coordinates (arecrd) -! 46 print out message about routine and location, where the ibort is raised (ibort_inc) -! 47 print out summary message of element variables on a -! group-basis after all the automatic changes have been -! made (em_ellibp) -! 48 Automatically generate check results based on max and min vals. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the generate_check_results script from /marc/tools -! 49 Automatically generate check results based on the real calculated values -! at the sppecified check result locations. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the update_check_results script from /marc/tools -! 50 generate a file containing the resistance or capacity matrix; -! this file can be used to compare results with a reference file -! 51 print out detailed information for segment-to-segment contact -! 52 print out detailed relative displacement information -! for uniaxial sliding contact -! 53 print out detailed sliding direction information for -! uniaxial sliding contact -! 54 print out detailed information for edges attached to a curve -! 55 print information related to viscoelasticity calculations -! 56 print out detailed information for element coloring for multithreading -! 57 print out extra overheads due to multi-threading. -! These overhead includes (i) time and (ii) memory. -! The memory report will be summed over all the children. -! -! -! 58 debug output for ELSTO usage -! -! idyn Control flag for dynamics. Input data. -! 1 = eigenvalue extraction and / or modal superposition -! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1) -! 3 = Houbolt -! 4 = Central difference -! 5 = Newer central difference -! idynt Copy of idyn at begining of increment -! ielas Control flag for ELASTIC analysis. Input data. -! Set by user or automatically turned on by Fourier option. -! Implies that each load case is treated separately. -! In Adaptive meshing analysis , forces re-analysis until -! convergence obtained. -! Also seriously misused to indicate no convergence. -! = 1 elastic option with fourier analysis -! = 2 elastic option without fourier analysis -! =-1 no convergence in recycles or max # increments reached -! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used, -! or if fourier option is used. -! Then set to 2 if not fourier analysis. -! ielcma Control flag for electromagnetic analysis. Input data. -! ielcma = 1 Harmonic formulation -! ielcma = 2 Transient formulation -! ielect Control flag for electrostatic option. Input data. -! iform Control flag indicating that contact will be performed. -! ifour Control flag for Fourier analysis. -! 0 = Odd and even terms. -! 1 = symmetric (cosine) terms -! 2 = antisymmetric (sine) terms. -! iharm Control flag to indicate that a harmonic analysis will -! be performed. May change between passes. -! ihcps Control flag for coupled thermal - stress analysis. -! iheat Control flag for heat transfer analysis. Input data. -! iheatt Permanent control flag for heat transfer analysis. -! Note in coupled analysis iheatt will remain as one, -! but iheat will be zero in stress pass. -! ihresp Control flag to indicate to perform a harmonic subincrement. -! ijoule Control flag for Joule heating. -! ilem Control flag to determin which vector is to be transformed. -! Control flag to see where one is: -! ilem = 1 - elem.f -! ilem = 2 - initst.f -! ilem = 3 - pressr.f -! ilem = 3 - fstif.f -! ilem = 4 - jflux.f -! ilem = 4 - strass.f -! ilem = 5 - mass.f -! ilem = 5 - osolty.f -! ilnmom Control flag for soil - pore pressure calculation. Input data. -! ilnmom = 0 - perform only pore pressure calculation. -! = 1 - couples pore pressure - displacement analysis -! iloren Control flag for DeLorenzi J-Integral evaluation. Input data. -! inc Increment number. -! incext Control flag indicating that currently working on a -! subincrement. -! Could be due to harmonics , damping component (bearing), -! stiffness component (bearing), auto therm creep or -! old viscoplaticity -! incsub Sub-increment number. -! ipass Control flag for which part of coupled analysis. -! ipass = -1 - reset to base values -! ipass = 0 - do nothing -! ipass = 1 - stress part -! ipass = 2 - heat transfer part -! iplres Flag indicating that either second matrix is stored. -! dynamic analysis - mass matrix -! heat transfer - specific heat matrix -! buckle - initial stress stiffness -! ipois Control flag indicating Poisson type analysis -! ipois = 1 for heat transfer -! = 1 for heat transfer part of coupled -! = 1 for bearing -! = 1 for electrostatic -! = 1 for magnetostatic -! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0 -! in stress portion, yet ipoist will still =1. -! irpflo global flag for rigid plastic flow analysis -! = 1 eularian formulation -! = 2 regular formulation; rigid material present in the analysis - -! ismall control flag to indicate small displacement analysis. input data. -! ismall = 0 - large disp included. -! ismall = 1 - small displacement. -! the flag is changing between passes. -! ismalt permanent copy of ismall . in heat transfer portion of -! coupled analysis ismall =0 , but ismalt remains the same. -! isoil control flag indicating that soil / pore pressure -! calculation . input data. -! ispect control flag for response spectrum calculation. input data. -! ispnow control flag to indicate to perform a spectrum response -! calculation now. -! istore store stresses flag. -! istore = 0 in elem.f and if first pass of creep -! convergence checking in ogetst.f -! or harmonic analysis or thruc.f if not -! converged. -! iswep control flag for eigenvalue analysis. -! iswep=1 - go do extraction process -! ithcrp control flag for auto therm creep option. input data. -! itherm control flag for either temperature dependent material -! properties and/or thermal loads. -! iupblg control flag for follower force option. input data. -! iupdat control flag for update lagrange option for current element. -! jacflg control flag for lanczos iteration method. input data. -! jel control flag indicating that total load applied in -! increment, ignore previous solution. -! jel = 1 in increment 0 -! = 1 if elastic or fourier -! = 1 in subincrements with elastic and adaptive -! jparks control flag for j integral by parks method. input data. -! largst control flag for finite strain plasticity. input data. -! lfond control variable that indicates if doing elastic -! foundation or film calculation. influences whether -! this is volumetric or surface integration. -! loadup control flag that indicates that nonlinearity occurred -! during previous increment. -! loaduq control flag that indicates that nonlinearity occurred. -! lodcor control flag for switching on the residual load correction. -! notice in input stage lodcor=0 means no loadcor, -! after omarc lodcor=1 means no loadcor -! lovl control flag for determining which "overlay" is to -! be called from ellib. -! lovl = 1 omarc -! = 2 oaread -! = 3 opress -! = 4 oasemb -! = 5 osolty -! = 6 ogetst -! = 7 oscinc -! = 8 odynam -! = 9 opmesh -! = 10 omesh2 -! = 11 osetz -! = 12 oass -! = 13 oincdt -! = 14 oasmas -! = 15 ofluas -! = 16 ofluso -! = 17 oshtra -! = 18 ocass -! = 19 osoltc -! = 20 orezon -! = 21 otest -! = 22 oeigen -! lsub control variable to determine which part of element -! assembly function is being done. -! lsub = 1 - no longer used -! = 2 - beta* -! = 3 - cons* -! = 4 - ldef* -! = 5 - posw* -! = 6 - theta* -! = 7 - tmarx* -! = 8 - geom* -! magnet control flag for magnetostatic analysis. input data. -! ncycle cycle number. accumulated in osolty.f -! note first time through oasemb.f , ncycle = 0. -! newtnt control flag for permanent copy of newton. -! newton iteration type. input data. -! newton : = 1 full newton raphson -! 2 modified newton raphson -! 3 newton raphson with strain correct. -! 4 direct substitution -! 5 direct substitution followed by n.r. -! 6 direct substitution with line search -! 7 full newton raphson with secant initial stress -! 8 secant method -! 9 full newton raphson with line search -! noshr control flag for calculation interlaminar shears for -! elements 22,45, and 75. input data. -!ees -! -! jactch = 1 or 2 if elements are activated or deactivated -! = 3 if elements are adaptively remeshed or rezoned -! = 0 normally / reset to 0 when assembly is done -! ifricsh = 0 call to fricsh in otest not needed -! = 1 call to fricsh (nodal friction) in otest needed -! iremkin = 0 remove deactivated kinematic boundary conditions -! immediately - only in new input format (this is default) -! = 1 remove deactivated kinematic boundary conditions -! gradually - only in new input format -! iremfor = 0 remove force boundary conditions immediately - -! only in new input format (this is default) -! = 1 remove force boundary conditions gradually - -! only in new input format (this is default) -! ishearp set to 1 if shear panel elements are present in the model -! -! jspf = 0 not in spf loadcase -! > 0 in spf loadcase (jspf=1 during first increment) -! machining = 1 if the metal cutting feature is used, for memory allocation purpose -! = 0 (default) if no metal cutting feature required -! -! jlshell = 1 if there is a shell element in the mesh -! icompsol = 1 if there is a composite solid element in the mesh -! iupblgfo = 1 if follower force for point loads -! jcondir = 1 if contact priority option is used -! nstcrp = 0 (default) steady state creep flag (undocumented feature. -! if not 0, turns off special ncycle = 0 code in radial.f) -! nactive = number of active passes, if =1 then it's not a coupled analysis -! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref -! icheckmpc = value of mpc-check parameter option -! noline = set to 1 in osolty if no line seacrh should be done in ogetst -! icuring = set to 1 if the curing is included for the heat transfer analysis. -! ishrink = set to 1 if shrinkage strain is included for mechancial analysis. -! ioffsflg = 1 for small displacement beam/shell offsets -! = 2 for large displacement beam/shell offsets -! isetoff = 0 - do not apply beam/shell offsets -! = 1 - apply beam/shell offsets -! ioffsetm = min. value of offset flag -! iharmt = 1 global flag if a coupled analysis contains an harmonic pass -! inc_incdat = flag to record increment number of a new loadcase in incdat.f -! iautspc = flag for AutoSPC option -! ibrake = brake squeal in this increment -! icbush = set to 1 if cbush elements present in model -! istream_input = set to 1 for streaming input calling Marc as library -! iprsinp = set to 1 if pressure input, introduced so other variables -! such as h could be a function of pressure -! ivlsinp = set to 1 if velocity input, introduced so other variables -! such as h could be a function of velocity -! ipin_m = # of beam element with PIN flag -! jgnstr_glb = global control over pre or fast integrated composite shells -! imarc_return = Marc return flag for streaming input control -! iqvcimp = if non-zero, then the number of QVECT boundary conditions -! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered -! istpnx = 1 if to stop at end of increment -! imicro1 = 1 if micro1 interface is used -! iaxisymm = set to 1 if axisymmetric analysis -! jbreakglue = set to 1 if breaking glued option is used -! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9) -! jfastasm = 1 do fast assembly using SuperForm code -! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated -! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation -! imixmeth = set=1 then use nonlinear mixture material - allocate memory -! ielcmadyn = flag for magnetodynamics -! 0 - electromagnetics using newmark beta -! 1 - transient magnetics using backward euler -! idinout = flag to control if inside out elements should be deactivated -! igena_meth = 0 - generalized alpha parameters depend on whether or not contact -! is flagged (dynamic,7) -! 10 - generalized alpha parameters are optimized for a contact -! analysis (dynamic,8) -! 11 - generalized alpha parameters are optimized for an analysis -! without contact (dynamic,8) -! magf_meth = - Method to compute force in magnetostatic - structural -! = 1 - Virtual work method based on finite difference for the force computation -! = 2 - Maxwell stress tensor -! = 3 - Virtual work method based on local derivative for the force computation -! non_assumed = 1 no assumed strain formulation (forced) -! iredoboudry set to 1 if contact boundary needs to be recalculated -! ioffsz0 = 1 if composite are used with reference position.ne.0 -! icomplt = 1 global flag if a coupled analysis contains an complex pass -! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural -! one for magnetodynamic and the other for the remaining passes -! iactrp = 1 in an analysis with global remeshing, include inactive -! rigid bodies on post file -! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass -! -! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading) -! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb -! iaem = 1 if marc is called from aem (0 - off - default) -! icosim = 1 if marc is used in co-simulation software (ADAMS-MARC) -! -! -!*********************************************************************** -!$omp threadprivate(/marc_concom/) -!! diff --git a/lib/MarcInclude/concom2015 b/lib/MarcInclude/concom2015 deleted file mode 100644 index a664f01eb..000000000 --- a/lib/MarcInclude/concom2015 +++ /dev/null @@ -1,416 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: concom.cmn -! -! MSC.Marc include file -! -integer(pInt) & - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,& - iaem, icosim, inodels, nlharm, iampini -dimension :: ideva(60) -integer(pInt) num_concom -parameter(num_concom=244) -common/marc_concom/& - iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,& - ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,& - ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,& - ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,& - itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,& - lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,& - icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,& - isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,& - ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,& - ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,& - ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,& - imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,& - kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,& - iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,& - ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush , istream_input,& - iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,& - iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout,igena_meth,& - magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,& - iaem, icosim, inodels, nlharm, iampini -! -! comments of variables: -! -! iacous Control flag for acoustic analysis. Input data. -! iacous=1 modal acoustic analysis. -! iacous=2 harmonic acoustic-structural analysis. -! iasmbl Control flag to indicate that operator matrix should be -! recalculated. -! iautth Control flag for AUTO THERM option. -! ibear Control flag for bearing analysis. Input data. -! icompl Control variable to indicate that a complex analysis is -! being performed. Either a Harmonic analysis with damping, -! or a harmonic electro-magnetic analysis. Input data. -! iconj Flag for EBE conjugate gradient solver (=solver 1, retired) -! Also used for VKI iterative solver. -! icreep Control flag for creep analysis. Input data. -! ideva(60) - debug print out flag -! 1 print element stiffness matrices, mass matrix -! 2 output matrices used in tying -! 3 force the solution of a nonpositive definite matrix -! 4 print info of connections to each node -! 5 info of gap convergence, internal heat generated, contact -! touching and separation -! 6 nodal value array during rezoning -! 7 tying info in CONRAD GAP option, fluid element numbers in -! CHANNEL option -! 8 output incremental displacements in local coord. system -! 9 latent heat output -! 10 stress-strain in local coord. system -! 11 additional info on interlaminar stress -! 12 output right hand side and solution vector -! 13 info of CPU resources used and memory available on NT -! 14 info of mesh adaption process, 2D outline information -! info of penetration checking for remeshing -! save .fem files after afmesh3d meshing -! 15 surface energy balance flag -! 16 print info regarding pyrolysis -! 17 print info of "streamline topology" -! 18 print mesh data changes after remeshing -! 19 print material flow stress data read in from *.mat file -! if unit flag is on, print out flow stress after conversion -! 20 print information on table input -! 21 print out information regarding kinematic boundary conditions -! 22 print out information regarding dist loads, point loads, film -! and foundations -! 23 print out information about automatic domain decomposition -! 24 print out iteration information in SuperForm status report file -! 25 print out information for ablation -! 26 print out information for films - Table input -! 27 print out the tying forces -! 28 print out for CASI solver, convection, -! 29 DDM single file debug printout -! 30 print out cavity debug info -! 31 print out welding related info -! 32 prints categorized DDM memory usage -! 33 print out the cutting info regarding machining feature -! 34 print out the list of quantities which can be defined via a table -! and for each quantity the supported independent variables -! 35 print out detailed coupling region info -! 36 print out solver debug info level 1 (Least Detailed) -! 37 print out solver debug info level 1 (Medium Detailed) -! 38 print out solver debug info level 1 (Very Detailed) -! 39 print detailed memory allocation info -! 40 print out marc-adams debug info -! 41 output rezone mapping post file for debugging -! 42 output post file after calling oprofos() for debugging -! 43 debug printout for vcct -! 44 debug printout for progressive failure -! 45 print out automatically generated midside node coordinates (arecrd) -! 46 print out message about routine and location, where the ibort is raised (ibort_inc) -! 47 print out summary message of element variables on a -! group-basis after all the automatic changes have been -! made (em_ellibp) -! 48 Automatically generate check results based on max and min vals. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the generate_check_results script from /marc/tools -! 49 Automatically generate check results based on the real calculated values -! at the sppecified check result locations. -! These vals are stored in the checkr file, which is inserted -! into the *dat file by the update_check_results script from /marc/tools -! 50 generate a file containing the resistance or capacity matrix; -! this file can be used to compare results with a reference file -! 51 print out detailed information for segment-to-segment contact -! 52 print out detailed relative displacement information -! for uniaxial sliding contact -! 53 print out detailed sliding direction information for -! uniaxial sliding contact -! 54 print out detailed information for edges attached to a curve -! 55 print information related to viscoelasticity calculations -! 56 print out detailed information for element coloring for multithreading -! 57 print out extra overheads due to multi-threading. -! These overhead includes (i) time and (ii) memory. -! The memory report will be summed over all the children. -! -! -! 58 debug output for ELSTO usage -! -! idyn Control flag for dynamics. Input data. -! 1 = eigenvalue extraction and / or modal superposition -! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1) -! 3 = Houbolt -! 4 = Central difference -! 5 = Newer central difference -! idynt Copy of idyn at begining of increment -! ielas Control flag for ELASTIC analysis. Input data. -! Set by user or automatically turned on by Fourier option. -! Implies that each load case is treated separately. -! In Adaptive meshing analysis , forces re-analysis until -! convergence obtained. -! Also seriously misused to indicate no convergence. -! = 1 elastic option with fourier analysis -! = 2 elastic option without fourier analysis -! =-1 no convergence in recycles or max # increments reached -! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used, -! or if fourier option is used. -! Then set to 2 if not fourier analysis. -! ielcma Control flag for electromagnetic analysis. Input data. -! ielcma = 1 Harmonic formulation -! ielcma = 2 Transient formulation -! ielect Control flag for electrostatic option. Input data. -! iform Control flag indicating that contact will be performed. -! ifour Control flag for Fourier analysis. -! 0 = Odd and even terms. -! 1 = symmetric (cosine) terms -! 2 = antisymmetric (sine) terms. -! iharm Control flag to indicate that a harmonic analysis will -! be performed. May change between passes. -! ihcps Control flag for coupled thermal - stress analysis. -! iheat Control flag for heat transfer analysis. Input data. -! iheatt Permanent control flag for heat transfer analysis. -! Note in coupled analysis iheatt will remain as one, -! but iheat will be zero in stress pass. -! ihresp Control flag to indicate to perform a harmonic subincrement. -! ijoule Control flag for Joule heating. -! ilem Control flag to determin which vector is to be transformed. -! Control flag to see where one is: -! ilem = 1 - elem.f -! ilem = 2 - initst.f -! ilem = 3 - pressr.f -! ilem = 3 - fstif.f -! ilem = 4 - jflux.f -! ilem = 4 - strass.f -! ilem = 5 - mass.f -! ilem = 5 - osolty.f -! ilnmom Control flag for soil - pore pressure calculation. Input data. -! ilnmom = 0 - perform only pore pressure calculation. -! = 1 - couples pore pressure - displacement analysis -! iloren Control flag for DeLorenzi J-Integral evaluation. Input data. -! inc Increment number. -! incext Control flag indicating that currently working on a -! subincrement. -! Could be due to harmonics , damping component (bearing), -! stiffness component (bearing), auto therm creep or -! old viscoplaticity -! incsub Sub-increment number. -! ipass Control flag for which part of coupled analysis. -! ipass = -1 - reset to base values -! ipass = 0 - do nothing -! ipass = 1 - stress part -! ipass = 2 - heat transfer part -! iplres Flag indicating that either second matrix is stored. -! dynamic analysis - mass matrix -! heat transfer - specific heat matrix -! buckle - initial stress stiffness -! ipois Control flag indicating Poisson type analysis -! ipois = 1 for heat transfer -! = 1 for heat transfer part of coupled -! = 1 for bearing -! = 1 for electrostatic -! = 1 for magnetostatic -! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0 -! in stress portion, yet ipoist will still =1. -! irpflo global flag for rigid plastic flow analysis -! = 1 eularian formulation -! = 2 regular formulation; rigid material present in the analysis - -! ismall control flag to indicate small displacement analysis. input data. -! ismall = 0 - large disp included. -! ismall = 1 - small displacement. -! the flag is changing between passes. -! ismalt permanent copy of ismall . in heat transfer portion of -! coupled analysis ismall =0 , but ismalt remains the same. -! isoil control flag indicating that soil / pore pressure -! calculation . input data. -! ispect control flag for response spectrum calculation. input data. -! ispnow control flag to indicate to perform a spectrum response -! calculation now. -! istore store stresses flag. -! istore = 0 in elem.f and if first pass of creep -! convergence checking in ogetst.f -! or harmonic analysis or thruc.f if not -! converged. -! iswep control flag for eigenvalue analysis. -! iswep=1 - go do extraction process -! ithcrp control flag for auto therm creep option. input data. -! itherm control flag for either temperature dependent material -! properties and/or thermal loads. -! iupblg control flag for follower force option. input data. -! iupdat control flag for update lagrange option for current element. -! jacflg control flag for lanczos iteration method. input data. -! jel control flag indicating that total load applied in -! increment, ignore previous solution. -! jel = 1 in increment 0 -! = 1 if elastic or fourier -! = 1 in subincrements with elastic and adaptive -! jparks control flag for j integral by parks method. input data. -! largst control flag for finite strain plasticity. input data. -! lfond control variable that indicates if doing elastic -! foundation or film calculation. influences whether -! this is volumetric or surface integration. -! loadup control flag that indicates that nonlinearity occurred -! during previous increment. -! loaduq control flag that indicates that nonlinearity occurred. -! lodcor control flag for switching on the residual load correction. -! notice in input stage lodcor=0 means no loadcor, -! after omarc lodcor=1 means no loadcor -! lovl control flag for determining which "overlay" is to -! be called from ellib. -! lovl = 1 omarc -! = 2 oaread -! = 3 opress -! = 4 oasemb -! = 5 osolty -! = 6 ogetst -! = 7 oscinc -! = 8 odynam -! = 9 opmesh -! = 10 omesh2 -! = 11 osetz -! = 12 oass -! = 13 oincdt -! = 14 oasmas -! = 15 ofluas -! = 16 ofluso -! = 17 oshtra -! = 18 ocass -! = 19 osoltc -! = 20 orezon -! = 21 otest -! = 22 oeigen -! lsub control variable to determine which part of element -! assembly function is being done. -! lsub = 1 - no longer used -! = 2 - beta* -! = 3 - cons* -! = 4 - ldef* -! = 5 - posw* -! = 6 - theta* -! = 7 - tmarx* -! = 8 - geom* -! magnet control flag for magnetostatic analysis. input data. -! ncycle cycle number. accumulated in osolty.f -! note first time through oasemb.f , ncycle = 0. -! newtnt control flag for permanent copy of newton. -! newton iteration type. input data. -! newton : = 1 full newton raphson -! 2 modified newton raphson -! 3 newton raphson with strain correct. -! 4 direct substitution -! 5 direct substitution followed by n.r. -! 6 direct substitution with line search -! 7 full newton raphson with secant initial stress -! 8 secant method -! 9 full newton raphson with line search -! noshr control flag for calculation interlaminar shears for -! elements 22,45, and 75. input data. -!ees -! -! jactch = 1 or 2 if elements are activated or deactivated -! = 3 if elements are adaptively remeshed or rezoned -! = 0 normally / reset to 0 when assembly is done -! ifricsh = 0 call to fricsh in otest not needed -! = 1 call to fricsh (nodal friction) in otest needed -! iremkin = 0 remove deactivated kinematic boundary conditions -! immediately - only in new input format (this is default) -! = 1 remove deactivated kinematic boundary conditions -! gradually - only in new input format -! iremfor = 0 remove force boundary conditions immediately - -! only in new input format (this is default) -! = 1 remove force boundary conditions gradually - -! only in new input format (this is default) -! ishearp set to 1 if shear panel elements are present in the model -! -! jspf = 0 not in spf loadcase -! > 0 in spf loadcase (jspf=1 during first increment) -! machining = 1 if the metal cutting feature is used, for memory allocation purpose -! = 0 (default) if no metal cutting feature required -! -! jlshell = 1 if there is a shell element in the mesh -! icompsol = 1 if there is a composite solid element in the mesh -! iupblgfo = 1 if follower force for point loads -! jcondir = 1 if contact priority option is used -! nstcrp = 0 (default) steady state creep flag (undocumented feature. -! if not 0, turns off special ncycle = 0 code in radial.f) -! nactive = number of active passes, if =1 then it's not a coupled analysis -! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref -! icheckmpc = value of mpc-check parameter option -! noline = set to 1 in osolty if no line seacrh should be done in ogetst -! icuring = set to 1 if the curing is included for the heat transfer analysis. -! ishrink = set to 1 if shrinkage strain is included for mechancial analysis. -! ioffsflg = 1 for small displacement beam/shell offsets -! = 2 for large displacement beam/shell offsets -! isetoff = 0 - do not apply beam/shell offsets -! = 1 - apply beam/shell offsets -! ioffsetm = min. value of offset flag -! iharmt = 1 global flag if a coupled analysis contains an harmonic pass -! inc_incdat = flag to record increment number of a new loadcase in incdat.f -! iautspc = flag for AutoSPC option -! ibrake = brake squeal in this increment -! icbush = set to 1 if cbush elements present in model -! istream_input = set to 1 for streaming input calling Marc as library -! iprsinp = set to 1 if pressure input, introduced so other variables -! such as h could be a function of pressure -! ivlsinp = set to 1 if velocity input, introduced so other variables -! such as h could be a function of velocity -! ipin_m = # of beam element with PIN flag -! jgnstr_glb = global control over pre or fast integrated composite shells -! imarc_return = Marc return flag for streaming input control -! iqvcimp = if non-zero, then the number of QVECT boundary conditions -! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered -! istpnx = 1 if to stop at end of increment -! imicro1 = 1 if micro1 interface is used -! iaxisymm = set to 1 if axisymmetric analysis -! jbreakglue = set to 1 if breaking glued option is used -! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9) -! jfastasm = 1 do fast assembly using SuperForm code -! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated -! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation -! imixmeth = set=1 then use nonlinear mixture material - allocate memory -! ielcmadyn = flag for magnetodynamics -! 0 - electromagnetics using newmark beta -! 1 - transient magnetics using backward euler -! idinout = flag to control if inside out elements should be deactivated -! igena_meth = 0 - generalized alpha parameters depend on whether or not contact -! is flagged (dynamic,7) -! 10 - generalized alpha parameters are optimized for a contact -! analysis (dynamic,8) -! 11 - generalized alpha parameters are optimized for an analysis -! without contact (dynamic,8) -! magf_meth = - Method to compute force in magnetostatic - structural -! = 1 - Virtual work method based on finite difference for the force computation -! = 2 - Maxwell stress tensor -! = 3 - Virtual work method based on local derivative for the force computation -! non_assumed = 1 no assumed strain formulation (forced) -! iredoboudry set to 1 if contact boundary needs to be recalculated -! ioffsz0 = 1 if composite are used with reference position.ne.0 -! icomplt = 1 global flag if a coupled analysis contains an complex pass -! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural -! one for magnetodynamic and the other for the remaining passes -! iactrp = 1 in an analysis with global remeshing, include inactive -! rigid bodies on post file -! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass -! -! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading) -! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb -! iaem = 1 if marc is called from aem (0 - off - default) -! icosim = 1 if marc is used in co-simulation software (ADAMS-MARC) -! inodels = 1 nodal integration elements 239/240/241 present -! nlharm = 0 harmonic subincrements are linear -! = 1 harmonic subincrements are nonlinear -! iampini = 0 amplitude of previous harmonic subinc is initial estimate (default) -! = 1 zero amplitude is initial estimate -! -!*********************************************************************** -!$omp threadprivate(/marc_concom/) -!! diff --git a/lib/MarcInclude/creeps2011 b/lib/MarcInclude/creeps2011 deleted file mode 100644 index 56cca4975..000000000 --- a/lib/MarcInclude/creeps2011 +++ /dev/null @@ -1,28 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: creeps.cmn -! -! MSC.Marc include file -! -real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,creept -integer(pInt) icptim,icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,& - icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -integer(pInt) num_creepsr,num_creepsi,num_creeps2r -parameter(num_creepsr=40) -parameter(num_creepsi=18) -parameter(num_creeps2r=4) -common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,creept(33),icptim,icfte,icfst,& - icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -! time_beg_lcase time at the beginning of the current load case -! time_beg_inc time at the beginning of the current increment -! fractol fraction of loadcase or increment time when we -! consider it to be finished -! time_beg_pst time corresponding to first increment to be -! read in from thermal post file for auto step -! -!*********************************************************************** diff --git a/lib/MarcInclude/creeps2012 b/lib/MarcInclude/creeps2012 deleted file mode 100644 index 56cca4975..000000000 --- a/lib/MarcInclude/creeps2012 +++ /dev/null @@ -1,28 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: creeps.cmn -! -! MSC.Marc include file -! -real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,creept -integer(pInt) icptim,icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,& - icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -integer(pInt) num_creepsr,num_creepsi,num_creeps2r -parameter(num_creepsr=40) -parameter(num_creepsi=18) -parameter(num_creeps2r=4) -common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,creept(33),icptim,icfte,icfst,& - icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -! time_beg_lcase time at the beginning of the current load case -! time_beg_inc time at the beginning of the current increment -! fractol fraction of loadcase or increment time when we -! consider it to be finished -! time_beg_pst time corresponding to first increment to be -! read in from thermal post file for auto step -! -!*********************************************************************** diff --git a/lib/MarcInclude/creeps2013 b/lib/MarcInclude/creeps2013 deleted file mode 100644 index 56cca4975..000000000 --- a/lib/MarcInclude/creeps2013 +++ /dev/null @@ -1,28 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: creeps.cmn -! -! MSC.Marc include file -! -real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,creept -integer(pInt) icptim,icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,& - icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -integer(pInt) num_creepsr,num_creepsi,num_creeps2r -parameter(num_creepsr=40) -parameter(num_creepsi=18) -parameter(num_creeps2r=4) -common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,creept(33),icptim,icfte,icfst,& - icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -! time_beg_lcase time at the beginning of the current load case -! time_beg_inc time at the beginning of the current increment -! fractol fraction of loadcase or increment time when we -! consider it to be finished -! time_beg_pst time corresponding to first increment to be -! read in from thermal post file for auto step -! -!*********************************************************************** diff --git a/lib/MarcInclude/creeps2013.1 b/lib/MarcInclude/creeps2013.1 deleted file mode 100644 index cc2581ae6..000000000 --- a/lib/MarcInclude/creeps2013.1 +++ /dev/null @@ -1,31 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: creeps.cmn -! -! MSC.Marc include file -! -real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b -integer(pInt) icptim,icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,& - icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -integer(pInt) num_creepsr,num_creepsi,num_creeps2r -parameter(num_creepsr=7) -parameter(num_creepsi=18) -parameter(num_creeps2r=4) -common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icptim,icfte,icfst,& - icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -! time_beg_lcase time at the beginning of the current load case -! time_beg_inc time at the beginning of the current increment -! fractol fraction of loadcase or increment time when we -! consider it to be finished -! time_beg_pst time corresponding to first increment to be -! read in from thermal post file for auto step -! -!*********************************************************************** -!$omp threadprivate(/marc_creeps/) -!$omp threadprivate(/marc_creeps2/) -!! diff --git a/lib/MarcInclude/creeps2014 b/lib/MarcInclude/creeps2014 deleted file mode 100644 index e9bf51f71..000000000 --- a/lib/MarcInclude/creeps2014 +++ /dev/null @@ -1,63 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: creeps.cmn -! -! MSC.Marc include file -! -real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b -integer(pInt) icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,& - icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -integer(pInt) num_creepsr,num_creepsi,num_creeps2r -parameter(num_creepsr=7) -parameter(num_creepsi=17) -parameter(num_creeps2r=4) -common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,& - icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -! cptim Total time at begining of increment. -! timinc Incremental time for this step. -! icfte Local copy number of slopes of creep strain rate function -! versus temperature. Is -1 if exponent law used. -! icfst Local copy number of slopes of creep strain rate function -! versus equivalent stress. Is -1 if exponent law used. -! icfeq Local copy number of slopes of creep strain rate function -! versus equivalent strain. Is -1 if exponent law used. -! icftm Local copy number of slopes of creep strain rate function -! versus time. Is -1 if exponent law used. -! icetem Element number that needs to be checked for creep convergence -! or, if negative, the number of elements that need to -! be checked. In the latter case the elements to check -! are stored in ielcp. -! mcreep Maximum nuber of iterations for explicit creep. -! jcreep Counter of number of iterations for explicit creep -! procedure. jcreep must be .le. mcreep -! icpa Pointer to constant in creep strain rate expression. -! icftmp Pointer to temperature dependent creep strain rate data. -! icfstr Pointer to equivalent stress dependent creep strain rate data. -! icfqcp Pointer to equivalent creep strain dependent creep strain -! rate data. -! icfcpm Pointer to equivalent creep strain rate dependent -! creep strain rate data. -! icrppr Permanent copy of icreep -! icrcha Control flag for creep convergence checking , if set to -! 1 then testing on absolute change in stress and creep -! strain, not relative testing. Input data. -! icpb Pointer to storage of material id cross reference numbers. -! iicpmt -! iicpa Pointer to constant in creep strain rate expression -! -! time_beg_lcase time at the beginning of the current load case -! time_beg_inc time at the beginning of the current increment -! fractol fraction of loadcase or increment time when we -! consider it to be finished -! time_beg_pst time corresponding to first increment to be -! read in from thermal post file for auto step -! -!*********************************************************************** -!!$omp threadprivate(/marc_creeps/) -!!$omp threadprivate(/marc_creeps2/) -!! diff --git a/lib/MarcInclude/creeps2014.2 b/lib/MarcInclude/creeps2014.2 deleted file mode 100644 index e9bf51f71..000000000 --- a/lib/MarcInclude/creeps2014.2 +++ /dev/null @@ -1,63 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: creeps.cmn -! -! MSC.Marc include file -! -real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b -integer(pInt) icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,& - icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -integer(pInt) num_creepsr,num_creepsi,num_creeps2r -parameter(num_creepsr=7) -parameter(num_creepsi=17) -parameter(num_creeps2r=4) -common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,& - icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -! cptim Total time at begining of increment. -! timinc Incremental time for this step. -! icfte Local copy number of slopes of creep strain rate function -! versus temperature. Is -1 if exponent law used. -! icfst Local copy number of slopes of creep strain rate function -! versus equivalent stress. Is -1 if exponent law used. -! icfeq Local copy number of slopes of creep strain rate function -! versus equivalent strain. Is -1 if exponent law used. -! icftm Local copy number of slopes of creep strain rate function -! versus time. Is -1 if exponent law used. -! icetem Element number that needs to be checked for creep convergence -! or, if negative, the number of elements that need to -! be checked. In the latter case the elements to check -! are stored in ielcp. -! mcreep Maximum nuber of iterations for explicit creep. -! jcreep Counter of number of iterations for explicit creep -! procedure. jcreep must be .le. mcreep -! icpa Pointer to constant in creep strain rate expression. -! icftmp Pointer to temperature dependent creep strain rate data. -! icfstr Pointer to equivalent stress dependent creep strain rate data. -! icfqcp Pointer to equivalent creep strain dependent creep strain -! rate data. -! icfcpm Pointer to equivalent creep strain rate dependent -! creep strain rate data. -! icrppr Permanent copy of icreep -! icrcha Control flag for creep convergence checking , if set to -! 1 then testing on absolute change in stress and creep -! strain, not relative testing. Input data. -! icpb Pointer to storage of material id cross reference numbers. -! iicpmt -! iicpa Pointer to constant in creep strain rate expression -! -! time_beg_lcase time at the beginning of the current load case -! time_beg_inc time at the beginning of the current increment -! fractol fraction of loadcase or increment time when we -! consider it to be finished -! time_beg_pst time corresponding to first increment to be -! read in from thermal post file for auto step -! -!*********************************************************************** -!!$omp threadprivate(/marc_creeps/) -!!$omp threadprivate(/marc_creeps2/) -!! diff --git a/lib/MarcInclude/creeps2015 b/lib/MarcInclude/creeps2015 deleted file mode 100644 index e9bf51f71..000000000 --- a/lib/MarcInclude/creeps2015 +++ /dev/null @@ -1,63 +0,0 @@ -! common block definition file taken from respective MSC.Marc release and reformated to free format -!*********************************************************************** -! -! File: creeps.cmn -! -! MSC.Marc include file -! -real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b -integer(pInt) icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,& - icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -integer(pInt) num_creepsr,num_creepsi,num_creeps2r -parameter(num_creepsr=7) -parameter(num_creepsi=17) -parameter(num_creeps2r=4) -common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,& - icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa -common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst -! -! cptim Total time at begining of increment. -! timinc Incremental time for this step. -! icfte Local copy number of slopes of creep strain rate function -! versus temperature. Is -1 if exponent law used. -! icfst Local copy number of slopes of creep strain rate function -! versus equivalent stress. Is -1 if exponent law used. -! icfeq Local copy number of slopes of creep strain rate function -! versus equivalent strain. Is -1 if exponent law used. -! icftm Local copy number of slopes of creep strain rate function -! versus time. Is -1 if exponent law used. -! icetem Element number that needs to be checked for creep convergence -! or, if negative, the number of elements that need to -! be checked. In the latter case the elements to check -! are stored in ielcp. -! mcreep Maximum nuber of iterations for explicit creep. -! jcreep Counter of number of iterations for explicit creep -! procedure. jcreep must be .le. mcreep -! icpa Pointer to constant in creep strain rate expression. -! icftmp Pointer to temperature dependent creep strain rate data. -! icfstr Pointer to equivalent stress dependent creep strain rate data. -! icfqcp Pointer to equivalent creep strain dependent creep strain -! rate data. -! icfcpm Pointer to equivalent creep strain rate dependent -! creep strain rate data. -! icrppr Permanent copy of icreep -! icrcha Control flag for creep convergence checking , if set to -! 1 then testing on absolute change in stress and creep -! strain, not relative testing. Input data. -! icpb Pointer to storage of material id cross reference numbers. -! iicpmt -! iicpa Pointer to constant in creep strain rate expression -! -! time_beg_lcase time at the beginning of the current load case -! time_beg_inc time at the beginning of the current increment -! fractol fraction of loadcase or increment time when we -! consider it to be finished -! time_beg_pst time corresponding to first increment to be -! read in from thermal post file for auto step -! -!*********************************************************************** -!!$omp threadprivate(/marc_creeps/) -!!$omp threadprivate(/marc_creeps2/) -!! diff --git a/lib/damask/config/material.py b/lib/damask/config/material.py index a56c5d976..bb184b4d2 100644 --- a/lib/damask/config/material.py +++ b/lib/damask/config/material.py @@ -1,6 +1,8 @@ # -*- coding: UTF-8 no BOM -*- import re +import os + class Section(): def __init__(self,data = {'__order__':[]},part = ''): @@ -13,10 +15,7 @@ class Section(): } self.parameters = {} for key in data: - if type(data[key]) is not list: - self.parameters[key] = [data[key]] - else: - self.parameters[key] = data[key] + self.parameters[key] = data[key] if isinstance(data[key], list) else [data[key]] if '__order__' not in self.parameters: self.parameters['__order__'] = list(self.parameters.keys()) @@ -28,8 +27,7 @@ class Section(): multiKey = '(%s)'%key if multiKey not in self.parameters: self.parameters[multiKey] = [] if multiKey not in self.parameters['__order__']: self.parameters['__order__'] += [multiKey] - if type(data) == list: self.parameters[multiKey] += [[item] for item in data] - else: self.parameters[multiKey] += [[data]] + self.parameters[multiKey] += [[item] for item in data] if isinstance(data, list) else [[data]] def data(self): return self.parameters @@ -61,14 +59,8 @@ class Texture(Section): def add_component(self,theType,properties): - if 'scatter' not in list(map(str.lower,list(properties.keys()))): - scatter = 0.0 - else: - scatter = properties['scatter'] - if 'fraction' not in list(map(str.lower,list(properties.keys()))): - fraction = 1.0 - else: - fraction = properties['fraction'] + scatter = properties['scatter'] if 'scatter' in list(map(str.lower,list(properties.keys()))) else 0.0 + fraction = properties['fraction'] if 'fraction' in list(map(str.lower,list(properties.keys()))) else 1.0 try: multiKey = theType.lower() @@ -120,22 +112,28 @@ class Material(): self.verbose = verbose def __repr__(self): - """Returns current configuration to be used as material.config""" + """Returns current data structure in material.config format""" me = [] for part in self.parts: - if self.verbose: print('doing '+part) - me += ['','#-----------------------------#','<%s>'%part,'#-----------------------------#',] + if self.verbose: print('processing <{}>'.format(part)) + me += ['', + '#-----------------------------#', + '<{}>'.format(part), + '#-----------------------------#', + ] for section in self.data[part]['__order__']: - me += ['','[%s] %s'%(section,'-'*max(0,27-len(section))),'',] + me += ['', + '[{}] {}'.format(section,'#'*max(0,27-len(section))), + '', + ] for key in self.data[part][section]['__order__']: if key.startswith('(') and key.endswith(')'): # multiple (key) - me += ['%s\t%s'%(key,' '.join(values)) for values in self.data[part][section][key]] + me += ['{}\t{}'.format(key,' '.join(values)) for values in self.data[part][section][key]] else: # plain key - me += ['%s\t%s'%(key,' '.join(map(str,self.data[part][section][key])))] - - return '\n'.join(me) + me += ['{}\t{}'.format(key,' '.join(map(str,self.data[part][section][key])))] + return '\n'.join(me) + '\n' - def parse_data(self, part=None, sections=[], content=None): + def parse(self, part=None, sections=[], content=None): re_part = re.compile(r'^<(.+)>$') # pattern for part re_sec = re.compile(r'^\[(.+)\]$') # pattern for section @@ -147,21 +145,22 @@ class Material(): line = line.split('#')[0].strip() # kill comments and extra whitespace line = line.split('/echo/')[0].strip() # remove '/echo/' tags line = line.lower() # be case insensitive + if line: # content survives... - match_part = re_part.match(line.split()[0]) - if match_part: # found separator + match_part = re_part.match(line) + if match_part: # found <...> separator active = (match_part.group(1) == part) # only active in continue if active: - match_sec = re_sec.match(line.split()[0]) + match_sec = re_sec.match(line) if match_sec: # found [section] name_section = match_sec.group(1) # remember name ... if '__order__' not in self.data[part]: self.data[part]['__order__'] = [] self.data[part]['__order__'].append(name_section) # ... and position self.data[part][name_section] = {'__order__':[]} continue - - if sections == [] or name_section in sections: # respect subset + + if sections == [] or name_section in sections: # possibly restrict to subset items = line.split() if items[0] not in self.data[part][name_section]: # first encounter of key? self.data[part][name_section][items[0]] = [] # create item @@ -170,35 +169,47 @@ class Material(): self.data[part][name_section][items[0]].append(items[1:]) else: # plain key self.data[part][name_section][items[0]] = items[1:] - - def read(self,file=None): - f=open(file,'r') - c=f.readlines() - f.close() + + + + def read(self,filename=None): + """Reads material.config file""" + def recursiveRead(filename): + """Takes care of include statements like '{}'""" + result = [] + re_include = re.compile(r'^{(.+)}$') + with open(filename) as f: lines = f.readlines() + for line in lines: + match = re_include.match(line.split()[0]) if line.strip() else False + result += [line] if not match else \ + recursiveRead(match.group(1) if match.group(1).startswith('/') else + os.path.normpath(os.path.join(os.path.dirname(filename),match.group(1)))) + return result + + c = recursiveRead(filename) for p in self.parts: - self.parse_data(part=p, content=c) - - def write(self,file='material.config', overwrite=False): - import os + self.parse(part=p, content=c) + + def write(self,filename='material.config', overwrite=False): + """Writes to material.config""" i = 0 - saveFile = file - while not overwrite and os.path.exists(saveFile): + outname = filename + while os.path.exists(outname) and not overwrite: i += 1 - saveFile = file+'_%i'%i + outname = '{}_{}'.format(filename,i) - if self.verbose: print('Writing material data to file %s'%saveFile) - f=open(saveFile,'w') - f.write(str(self)+'\n') #newline at end - f.close() - return saveFile + if self.verbose: print('Writing material data to {}'.format(outname)) + with open(outname,'w') as f: + f.write(str(self)) + return outname - def add_section(self, part=None, section=None, initialData=None, merge = False): + def add_section(self, part=None, section=None, initialData=None, merge=False): """adding/updating""" part = part.lower() section = section.lower() - if part not in self.parts: raise Exception('invalid part %s'%part) + if part not in self.parts: raise Exception('invalid part {}'.format(part)) - if type(initialData) is not dict: + if not isinstance(initialData, dict): initialData = initialData.data() if section not in self.data[part]: self.data[part]['__order__'] += [section] @@ -228,17 +239,17 @@ class Material(): components=dict((k.lower(), v) for k,v in components.items()) for key in ['phase','texture','fraction','crystallite']: - if type(components[key]) is not list: - try: - components[key] = [components[key].lower()] - except AttributeError: - components[key] = [components[key]] - else: + if isinstance(components[key], list): for i, x in enumerate(components[key]): try: components[key][i] = x.lower() except AttributeError: pass + else: + try: + components[key] = [components[key].lower()] + except AttributeError: + components[key] = [components[key]] for (phase,texture,fraction,crystallite) in zip(components['phase'],components['texture'], components['fraction'],components['crystallite']): @@ -267,3 +278,4 @@ class Material(): if newlen is not oldlen: print('Length of value was changed from %i to %i!'%(oldlen,newlen)) + diff --git a/lib/damask/environment.py b/lib/damask/environment.py index 6ec0bff79..17786ab28 100644 --- a/lib/damask/environment.py +++ b/lib/damask/environment.py @@ -29,8 +29,8 @@ class Environment(): def isAvailable(self,software,Nneeded =-1): licensesNeeded = {'abaqus' :5, - 'standard':5, - 'explicit':5} + 'standard':5 + } if Nneeded == -1: Nneeded = licensesNeeded[software] try: cmd = """ ssh mulicense2 "/lm-status | grep 'Users of %s: ' | cut -d' ' -f7,13" """%software diff --git a/lib/damask/solver/abaqus.py b/lib/damask/solver/abaqus.py index 04c626eea..bf8691533 100644 --- a/lib/damask/solver/abaqus.py +++ b/lib/damask/solver/abaqus.py @@ -6,19 +6,12 @@ import subprocess,re class Abaqus(Solver): - def __init__(self,version='',solver=''): # example version string: 6.12-2, solver: std or exp + def __init__(self,version=''): # example version string: 2017 self.solver='Abaqus' if version =='': version = damask.Environment().options['ABAQUS_VERSION'] else: self.version = version - - if solver.lower() in ['','std','standard']: - self.solver = 'std' - elif solver.lower() in ['exp','explicit']: - self.solver = 'exp' - else: - raise Exception('unknown Abaqus solver %'%solver) def return_run_command(self,model): env=damask.Environment() @@ -32,4 +25,4 @@ class Abaqus(Solver): detectedVersion = process.stdout.readlines()[1].split()[1] if self.version != detectedVersion: raise Exception('found Abaqus version %s, but requested %s'%(detectedVersion,self.version)) - return '%s -job %s -user %s/src/DAMASK_abaqus_%s interactive'%(cmd,model,env.rootDir(),self.solver) + return '%s -job %s -user %s/src/DAMASK_abaqus interactive'%(cmd,model,env.rootDir()) diff --git a/lib/damask/solver/marc.py b/lib/damask/solver/marc.py index 16f3c8451..59feb3325 100644 --- a/lib/damask/solver/marc.py +++ b/lib/damask/solver/marc.py @@ -9,10 +9,8 @@ class Marc(Solver): def __init__(self): self.solver = 'Marc' self.releases = { \ + '2017': ['linux64',''], '2016': ['linux64',''], - '2015': ['linux64',''], - '2014.2':['linux64',''], - '2014' :['linux64',''], } diff --git a/src/DAMASK_abaqus_exp.f b/src/DAMASK_abaqus_exp.f deleted file mode 100644 index cfd02cbed..000000000 --- a/src/DAMASK_abaqus_exp.f +++ /dev/null @@ -1,298 +0,0 @@ -!-------------------------------------------------------------------------------------------------- -!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH -!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH -!> @author Koen Janssens, Paul Scherrer Institut -!> @author Arun Prakash, Fraunhofer IWM -!> @brief interfaces DAMASK with Abaqus/Explicit -!> @details put the included file abaqus_v6.env in either your home or model directory, -!> it is a minimum Abaqus environment file containing all changes necessary to use the -!> DAMASK subroutine (see Abaqus documentation for more information on the use of abaqus_v6.env) -!-------------------------------------------------------------------------------------------------- - -#ifndef INT -#define INT 4 -#endif - -#ifndef FLOAT -#define FLOAT 8 -#endif - -#define Abaqus - -#include "prec.f90" - -module DAMASK_interface - -implicit none -character(len=4), dimension(2), parameter :: INPUTFILEEXTENSION = ['.pes','.inp'] -character(len=4), parameter :: LOGFILEEXTENSION = '.log' - -contains - -!-------------------------------------------------------------------------------------------------- -!> @brief just reporting -!-------------------------------------------------------------------------------------------------- -subroutine DAMASK_interface_init - integer, dimension(8) :: & - dateAndTime ! type default integer - call date_and_time(values = dateAndTime) - write(6,'(/,a)') ' <<<+- DAMASK_abaqus_exp -+>>>' - write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018' - write(6,'(/,a)') ' Version: '//DAMASKVERSION - write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& - dateAndTime(2),'/',& - dateAndTime(1) - write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',& - dateAndTime(6),':',& - dateAndTime(7) - write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>' -#include "compilation_info.f90" - -end subroutine DAMASK_interface_init - - - -!-------------------------------------------------------------------------------------------------- -!> @brief using Abaqus/Explicit function to get working directory name -!-------------------------------------------------------------------------------------------------- -character(1024) function getSolverWorkingDirectoryName() - - implicit none - integer :: lenOutDir - - getSolverWorkingDirectoryName='' - call vgetOutDir(getSolverWorkingDirectoryName, lenOutDir) - getSolverWorkingDirectoryName=trim(getSolverWorkingDirectoryName)//'/' - -end function getSolverWorkingDirectoryName - - -!-------------------------------------------------------------------------------------------------- -!> @brief using Abaqus/Explicit function to get solver job name -!-------------------------------------------------------------------------------------------------- -character(1024) function getSolverJobName() - - implicit none - integer :: lenJobName - - getSolverJobName='' - call vGetJobName(getSolverJobName, lenJobName) - -end function getSolverJobName - -end module DAMASK_interface - -#include "commercialFEM_fileList.f90" - -subroutine vumat(nBlock, nDir, nshr, nStateV, nFieldV, nProps, lAnneal, & - stepTime, totalTime, dt, cmName, coordMp, charLength, & - props, density, strainInc, relSpinInc, & - tempOld, stretchOld, defgradOld, fieldOld, & - stressOld, stateOld, enerInternOld, enerInelasOld, & - tempNew, stretchNew, defgradNew, fieldNew, & - stressNew, stateNew, enerInternNew, enerInelasNew) - use prec, only: & - pReal, & - pInt -!$ use numerics, only: & -!$ DAMASK_NumThreadsInt - use FEsolving, only: & - symmetricSolver, & - terminallyIll - use math, only: & - invnrmMandel - use debug, only: & - debug_info, & - debug_reset, & - debug_levelBasic, & - debug_level, & - debug_abaqus - use mesh, only: & - mesh_unitlength, & - mesh_FEasCP, & - mesh_ipCoordinates - use CPFEM, only: & - CPFEM_general, & - CPFEM_init_done, & - CPFEM_initAll, & - CPFEM_CALCRESULTS, & - CPFEM_AGERESULTS, & - cycleCounter, & - theTime, & - outdatedByNewInc, & - outdatedFFN1 - use homogenization, only: & - materialpoint_sizeResults, & - materialpoint_results - - implicit none - integer(pInt), intent(in) :: & - nDir, & !< number of direct components in a symmetric tensor - nshr, & !< number of indirect components in a symmetric tensor - nStateV, & !< number of user-defined state variables that are associated with this material type - nFieldV, & !< number of user-defined external field variables - nprops, & !< user-specified number of user-defined material properties - lAnneal !< indicating whether the routine is being called during an annealing process - integer(pInt), dimension(*), intent(in) :: & - nBlock !< 1: No of Materialpoints in this call, 2: No of Materialpoint (IP) - !< 3: No of layer, 4: No of secPoint, 5+: element numbers - character(len=80), intent(in) :: & - cmname !< uses-specified material name, left justified - real(pReal), dimension(nprops), intent(in) :: & - props !< user-supplied material properties - real(pReal), intent(in) :: & - stepTime, & !< value of time since the step began - totalTime, & !< value of total time - dt !< time increment size - real(pReal), dimension(nblock(1)), intent(in) :: & - density, & !< current density at material points in the midstep configuration - charLength, & !< characteristic element length - enerInternOld, & !< internal energy per unit mass at each material point at the beginning of the increment - enerInelasOld, & !< dissipated inelastic energy per unit mass at each material point at the beginning of the increment - tempOld, & !< temperature at each material point at the beginning of the increment - tempNew !< temperature at each material point at the end of the increment (Temperature calculated in ABAQUS boundary conditions) - real(pReal), dimension(nblock(1),*), intent(in) :: & - coordMp !< material point coordinates - real(pReal), dimension(nblock(1),ndir+nshr), intent(in) :: & - strainInc, & !< strain increment tensor at each material point - stretchOld, & !< stretch tensor U at each material point - stretchNew, & !< stretch tensor U at each material point - stressOld !< stress tensor at each material point - real(pReal), dimension(nblock(1),nshr), intent(in) :: & - relSpinInc !< incremental relative rotation vector - real(pReal), dimension(nblock(1),nstatev), intent(in) :: & - stateOld !< state variables at each material point at the beginning of the increment - real(pReal), dimension(nblock(1),nfieldv), intent(in) :: & - fieldOld, & !< user-defined field variables - fieldNew !< user-defined field variables - real(pReal), dimension(nblock(1),ndir+2*nshr), intent(in) :: & - defgradOld, & - defgradNew - real(pReal), dimension(nblock(1)), intent(out) :: & - enerInternNew, & !< internal energy per unit mass at each material point at the end of the increment - enerInelasNew !< dissipated inelastic energy per unit mass at each material point at the end of the increment - real(pReal), dimension(nblock(1),ndir+nshr), intent(out) :: & - stressNew !< stress tensor at each material point at the end of the increment - real(pReal), dimension(nblock(1),nstatev), intent(out) :: & - stateNew !< state variables at each material point at the end of the increment - - real(pReal), dimension(3) :: coordinates - real(pReal), dimension(3,3) :: defgrd0,defgrd1 - real(pReal), dimension(6) :: stress - real(pReal), dimension(6,6) :: ddsdde - real(pReal) :: temp, timeInc, stresspower - integer(pInt) :: computationMode, n, i, cp_en - -#ifdef _OPENMP - integer :: defaultNumThreadsInt !< default value set by Abaqus - include "omp_lib.h" - - defaultNumThreadsInt = omp_get_num_threads() ! remember number of threads set by Marc - call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS -#endif - - computationMode = CPFEM_CALCRESULTS ! always calculate - do n = 1,nblock(1) ! loop over vector of IPs - temp = tempOld(n) ! temp is intent(in) - if ( .not. CPFEM_init_done ) then - call CPFEM_initAll(nBlock(4_pInt+n),nBlock(2)) - outdatedByNewInc = .false. - - if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0) then - write(6,'(i8,1x,i2,1x,a)') nBlock(4_pInt+n),nBlock(2),'first call special case..!'; flush(6) - endif - else if (theTime < totalTime) then ! reached convergence - outdatedByNewInc = .true. - - if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0) then - write (6,'(i8,1x,i2,1x,a)') nBlock(4_pInt+n),nBlock(2),'lastIncConverged + outdated'; flush(6) - endif - - endif - outdatedFFN1 = .false. - terminallyIll = .false. - cycleCounter = 1_pInt - if ( outdatedByNewInc ) then - outdatedByNewInc = .false. - call debug_info() ! first after new inc reports debugging - call debug_reset() ! resets debugging - computationMode = ior(computationMode, CPFEM_AGERESULTS) ! age results - endif - - theTime = totalTime ! record current starting time - if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0) then - write(6,'(a,i8,i2,a)') '(',nBlock(4_pInt+n),nBlock(2),')'; flush(6) - write(6,'(a,l1)') 'Aging Results: ', iand(computationMode, CPFEM_AGERESULTS) /= 0_pInt - endif - defgrd0 = 0.0_pReal - defgrd1 = 0.0_pReal - timeInc = dt - - ! ABAQUS explicit: deformation gradient as vector 11, 22, 33, 12, 23, 31, 21, 32, 13 - ! ABAQUS explicit: deformation gradient as vector 11, 22, 33, 12, 21 - - forall (i=1:ndir) - defgrd0(i,i) = defgradOld(n,i) - defgrd1(i,i) = defgradNew(n,i) - end forall - if (nshr == 1) then - defgrd0(1,2) = defgradOld(n,4) - defgrd1(1,2) = defgradNew(n,4) - defgrd0(2,1) = defgradOld(n,5) - defgrd1(2,1) = defgradNew(n,5) - else - defgrd0(1,2) = defgradOld(n,4) - defgrd1(1,2) = defgradNew(n,4) - defgrd0(1,3) = defgradOld(n,9) - defgrd1(1,3) = defgradNew(n,9) - defgrd0(2,1) = defgradOld(n,7) - defgrd1(2,1) = defgradNew(n,7) - defgrd0(2,3) = defgradOld(n,5) - defgrd1(2,3) = defgradNew(n,5) - defgrd0(3,1) = defgradOld(n,6) - defgrd1(3,1) = defgradNew(n,6) - defgrd0(3,2) = defgradOld(n,8) - defgrd1(3,2) = defgradNew(n,8) - - endif - cp_en = mesh_FEasCP('elem',nBlock(4_pInt+n)) - mesh_ipCoordinates(1:3,n,cp_en) = mesh_unitlength * coordMp(n,1:3) - - call CPFEM_general(computationMode,.false.,defgrd0,defgrd1,temp,timeInc,cp_en,nBlock(2),stress,ddsdde) - - ! Mandel: 11, 22, 33, SQRT(2)*12, SQRT(2)*23, SQRT(2)*13 - ! straight: 11, 22, 33, 12, 23, 13 - ! ABAQUS implicit: 11, 22, 33, 12, 13, 23 - ! ABAQUS explicit: 11, 22, 33, 12, 23, 13 - ! ABAQUS explicit: 11, 22, 33, 12 - - stressNew(n,1:ndir+nshr) = stress(1:ndir+nshr)*invnrmMandel(1:ndir+nshr) - stateNew(n,1:min(nstatev,materialpoint_sizeResults)) = & - materialpoint_results(1:min(nstatev,materialpoint_sizeResults),& - nBlock(2),mesh_FEasCP('elem', nBlock(4_pInt+n))) - - stresspower = 0.5_pReal*sum((stressOld(n,1:ndir)+stressNew(n,1:ndir))*straininc(n,1:ndir))+& - sum((stressOld(n,ndir+1:ndir+nshr)+stressNew(n,ndir+1:ndir+nshr))*straininc(n,ndir+1:ndir+nshr)) - enerInternNew(n) = enerInternOld(n) + stresspower / density(n) ! Internal energy per unit mass - enerInelasNew(n) = enerInternNew(n) ! Dissipated inelastic energy per unit mass(Temporary output) - - enddo -!$ call omp_set_num_threads(defaultNumThreadsInt) ! reset number of threads to stored default value - -end subroutine vumat - - -!-------------------------------------------------------------------------------------------------- -!> @brief calls the exit function of Abaqus/Explicit -!-------------------------------------------------------------------------------------------------- -subroutine quit(mpie_error) - use prec, only: & - pInt - - implicit none - integer(pInt) :: mpie_error - - flush(6) - call xplb_exit - -end subroutine quit diff --git a/src/DAMASK_marc2014.2.f90 b/src/DAMASK_marc2014.2.f90 deleted file mode 120000 index 2c5bec706..000000000 --- a/src/DAMASK_marc2014.2.f90 +++ /dev/null @@ -1 +0,0 @@ -DAMASK_marc.f90 \ No newline at end of file diff --git a/src/DAMASK_marc2014.f90 b/src/DAMASK_marc2014.f90 deleted file mode 120000 index 2c5bec706..000000000 --- a/src/DAMASK_marc2014.f90 +++ /dev/null @@ -1 +0,0 @@ -DAMASK_marc.f90 \ No newline at end of file diff --git a/src/DAMASK_marc2015.f90 b/src/DAMASK_marc2015.f90 deleted file mode 120000 index 2c5bec706..000000000 --- a/src/DAMASK_marc2015.f90 +++ /dev/null @@ -1 +0,0 @@ -DAMASK_marc.f90 \ No newline at end of file diff --git a/src/config.f90 b/src/config.f90 index d87bb754d..9d2ddde4c 100644 --- a/src/config.f90 +++ b/src/config.f90 @@ -531,7 +531,7 @@ end function getString !> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all !! values from the last occurrence. If key is not found exits with error unless default is given. !-------------------------------------------------------------------------------------------------- -function getFloats(this,key,defaultVal) +function getFloats(this,key,defaultVal,requiredShape) use IO, only: & IO_error, & IO_stringValue, & @@ -542,6 +542,7 @@ function getFloats(this,key,defaultVal) class(tPartitionedStringList), intent(in) :: this character(len=*), intent(in) :: key real(pReal), dimension(:), intent(in), optional :: defaultVal + integer(pInt), dimension(:), intent(in), optional :: requiredShape type(tPartitionedStringList), pointer :: item integer(pInt) :: i logical :: found, & @@ -577,7 +578,7 @@ end function getFloats !> @details for cumulative keys, "()", values from all occurrences are return. Otherwise only all !! values from the last occurrence. If key is not found exits with error unless default is given. !-------------------------------------------------------------------------------------------------- -function getInts(this,key,defaultVal) +function getInts(this,key,defaultVal,requiredShape) use IO, only: & IO_error, & IO_stringValue, & @@ -587,7 +588,8 @@ function getInts(this,key,defaultVal) integer(pInt), dimension(:), allocatable :: getInts class(tPartitionedStringList), intent(in) :: this character(len=*), intent(in) :: key - integer(pInt), dimension(:), intent(in), optional :: defaultVal + integer(pInt), dimension(:), intent(in), optional :: defaultVal, & + requiredShape type(tPartitionedStringList), pointer :: item integer(pInt) :: i logical :: found, & @@ -624,7 +626,7 @@ end function getInts !! values from the last occurrence. If key is not found exits with error unless default is given. !! If raw is true, the the complete string is returned, otherwise the individual chunks are returned !-------------------------------------------------------------------------------------------------- -function getStrings(this,key,defaultVal,raw) +function getStrings(this,key,defaultVal,requiredShape,raw) use IO, only: & IO_error, & IO_StringValue @@ -634,6 +636,7 @@ function getStrings(this,key,defaultVal,raw) class(tPartitionedStringList), intent(in) :: this character(len=*), intent(in) :: key character(len=65536),dimension(:), intent(in), optional :: defaultVal + integer(pInt), dimension(:), intent(in), optional :: requiredShape logical, intent(in), optional :: raw type(tPartitionedStringList), pointer :: item character(len=65536) :: str diff --git a/src/constitutive.f90 b/src/constitutive.f90 index e6f0c07ff..88d75dec1 100644 --- a/src/constitutive.f90 +++ b/src/constitutive.f90 @@ -141,7 +141,7 @@ subroutine constitutive_init() integer(pInt), parameter :: FILEUNIT = 200_pInt integer(pInt) :: & o, & !< counter in output loop - p, & !< counter in phase loop + ph, & !< counter in phase loop s, & !< counter in source loop ins !< instance of plasticity/source @@ -202,11 +202,11 @@ subroutine constitutive_init() !-------------------------------------------------------------------------------------------------- ! write description file for constitutive output call IO_write_jobFile(FILEUNIT,'outputConstitutive') - PhaseLoop: do p = 1_pInt,material_Nphase - activePhase: if (any(material_phase == p)) then - ins = phase_plasticityInstance(p) + PhaseLoop: do ph = 1_pInt,material_Nphase + activePhase: if (any(material_phase == ph)) then + ins = phase_plasticityInstance(ph) knownPlasticity = .true. ! assume valid - plasticityType: select case(phase_plasticity(p)) + plasticityType: select case(phase_plasticity(ph)) case (PLASTICITY_NONE_ID) plasticityType outputName = PLASTICITY_NONE_label thisOutput => null() @@ -238,62 +238,62 @@ subroutine constitutive_init() case default plasticityType knownPlasticity = .false. end select plasticityType - write(FILEUNIT,'(/,a,/)') '['//trim(phase_name(p))//']' + write(FILEUNIT,'(/,a,/)') '['//trim(phase_name(ph))//']' if (knownPlasticity) then - write(FILEUNIT,'(a)') '(plasticity)'//char(9)//trim(outputName) - if (phase_plasticity(p) /= PLASTICITY_NONE_ID) then + if (phase_plasticity(ph) /= PLASTICITY_NONE_ID) then OutputPlasticityLoop: do o = 1_pInt,size(thisOutput(:,ins)) if(len(trim(thisOutput(o,ins))) > 0_pInt) & write(FILEUNIT,'(a,i4)') trim(thisOutput(o,ins))//char(9),thisSize(o,ins) enddo OutputPlasticityLoop endif endif - SourceLoop: do s = 1_pInt, phase_Nsources(p) + + SourceLoop: do s = 1_pInt, phase_Nsources(ph) knownSource = .true. ! assume valid - sourceType: select case (phase_source(s,p)) + sourceType: select case (phase_source(s,ph)) case (SOURCE_thermal_dissipation_ID) sourceType - ins = source_thermal_dissipation_instance(p) + ins = source_thermal_dissipation_instance(ph) outputName = SOURCE_thermal_dissipation_label thisOutput => source_thermal_dissipation_output thisSize => source_thermal_dissipation_sizePostResult case (SOURCE_thermal_externalheat_ID) sourceType - ins = source_thermal_externalheat_instance(p) + ins = source_thermal_externalheat_instance(ph) outputName = SOURCE_thermal_externalheat_label thisOutput => source_thermal_externalheat_output thisSize => source_thermal_externalheat_sizePostResult case (SOURCE_damage_isoBrittle_ID) sourceType - ins = source_damage_isoBrittle_instance(p) + ins = source_damage_isoBrittle_instance(ph) outputName = SOURCE_damage_isoBrittle_label thisOutput => source_damage_isoBrittle_output thisSize => source_damage_isoBrittle_sizePostResult case (SOURCE_damage_isoDuctile_ID) sourceType - ins = source_damage_isoDuctile_instance(p) + ins = source_damage_isoDuctile_instance(ph) outputName = SOURCE_damage_isoDuctile_label thisOutput => source_damage_isoDuctile_output thisSize => source_damage_isoDuctile_sizePostResult case (SOURCE_damage_anisoBrittle_ID) sourceType - ins = source_damage_anisoBrittle_instance(p) + ins = source_damage_anisoBrittle_instance(ph) outputName = SOURCE_damage_anisoBrittle_label thisOutput => source_damage_anisoBrittle_output thisSize => source_damage_anisoBrittle_sizePostResult case (SOURCE_damage_anisoDuctile_ID) sourceType - ins = source_damage_anisoDuctile_instance(p) + ins = source_damage_anisoDuctile_instance(ph) outputName = SOURCE_damage_anisoDuctile_label thisOutput => source_damage_anisoDuctile_output thisSize => source_damage_anisoDuctile_sizePostResult case (SOURCE_vacancy_phenoplasticity_ID) sourceType - ins = source_vacancy_phenoplasticity_instance(p) + ins = source_vacancy_phenoplasticity_instance(ph) outputName = SOURCE_vacancy_phenoplasticity_label thisOutput => source_vacancy_phenoplasticity_output thisSize => source_vacancy_phenoplasticity_sizePostResult case (SOURCE_vacancy_irradiation_ID) sourceType - ins = source_vacancy_irradiation_instance(p) + ins = source_vacancy_irradiation_instance(ph) outputName = SOURCE_vacancy_irradiation_label thisOutput => source_vacancy_irradiation_output thisSize => source_vacancy_irradiation_sizePostResult case (SOURCE_vacancy_thermalfluc_ID) sourceType - ins = source_vacancy_thermalfluc_instance(p) + ins = source_vacancy_thermalfluc_instance(ph) outputName = SOURCE_vacancy_thermalfluc_label thisOutput => source_vacancy_thermalfluc_output thisSize => source_vacancy_thermalfluc_sizePostResult @@ -318,29 +318,28 @@ subroutine constitutive_init() constitutive_source_maxSizeDotState = 0_pInt constitutive_source_maxSizePostResults = 0_pInt - PhaseLoop2:do p = 1_pInt,material_Nphase + PhaseLoop2:do ph = 1_pInt,material_Nphase !-------------------------------------------------------------------------------------------------- ! partition and inititalize state - plasticState(p)%partionedState0 = plasticState(p)%State0 - plasticState(p)%State = plasticState(p)%State0 - forall(s = 1_pInt:phase_Nsources(p)) - sourceState(p)%p(s)%partionedState0 = sourceState(p)%p(s)%State0 - sourceState(p)%p(s)%State = sourceState(p)%p(s)%State0 + plasticState(ph)%partionedState0 = plasticState(ph)%state0 + plasticState(ph)%state = plasticState(ph)%partionedState0 + forall(s = 1_pInt:phase_Nsources(ph)) + sourceState(ph)%p(s)%partionedState0 = sourceState(ph)%p(s)%state0 + sourceState(ph)%p(s)%state = sourceState(ph)%p(s)%partionedState0 end forall !-------------------------------------------------------------------------------------------------- ! determine max size of state and output constitutive_plasticity_maxSizeDotState = max(constitutive_plasticity_maxSizeDotState, & - plasticState(p)%sizeDotState) + plasticState(ph)%sizeDotState) constitutive_plasticity_maxSizePostResults = max(constitutive_plasticity_maxSizePostResults, & - plasticState(p)%sizePostResults) + plasticState(ph)%sizePostResults) constitutive_source_maxSizeDotState = max(constitutive_source_maxSizeDotState, & - maxval(sourceState(p)%p(:)%sizeDotState)) + maxval(sourceState(ph)%p(:)%sizeDotState)) constitutive_source_maxSizePostResults = max(constitutive_source_maxSizePostResults, & - maxval(sourceState(p)%p(:)%sizePostResults)) + maxval(sourceState(ph)%p(:)%sizePostResults)) enddo PhaseLoop2 - end subroutine constitutive_init @@ -804,8 +803,6 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra pReal, & pLongInt use debug, only: & - debug_cumDotStateCalls, & - debug_cumDotStateTicks, & debug_level, & debug_constitutive, & debug_levelBasic @@ -914,15 +911,6 @@ subroutine constitutive_collectDotState(Tstar_v, FeArray, FpArray, subdt, subfra end select sourceType enddo SourceLoop - if (iand(debug_level(debug_constitutive), debug_levelBasic) /= 0_pInt) then - call system_clock(count=tock,count_rate=tickrate,count_max=maxticks) - !$OMP CRITICAL (debugTimingDotState) - debug_cumDotStateCalls = debug_cumDotStateCalls + 1_pInt - debug_cumDotStateTicks = debug_cumDotStateTicks + tock-tick - !$OMP FLUSH (debug_cumDotStateTicks) - if (tock < tick) debug_cumDotStateTicks = debug_cumDotStateTicks + maxticks - !$OMP END CRITICAL (debugTimingDotState) - endif end subroutine constitutive_collectDotState !-------------------------------------------------------------------------------------------------- @@ -934,8 +922,6 @@ subroutine constitutive_collectDeltaState(Tstar_v, Fe, ipc, ip, el) pReal, & pLongInt use debug, only: & - debug_cumDeltaStateCalls, & - debug_cumDeltaStateTicks, & debug_level, & debug_constitutive, & debug_levelBasic @@ -998,16 +984,6 @@ subroutine constitutive_collectDeltaState(Tstar_v, Fe, ipc, ip, el) end select sourceType enddo SourceLoop - if (iand(debug_level(debug_constitutive), debug_levelBasic) /= 0_pInt) then - call system_clock(count=tock,count_rate=tickrate,count_max=maxticks) - !$OMP CRITICAL (debugTimingDeltaState) - debug_cumDeltaStateCalls = debug_cumDeltaStateCalls + 1_pInt - debug_cumDeltaStateTicks = debug_cumDeltaStateTicks + tock-tick - !$OMP FLUSH (debug_cumDeltaStateTicks) - if (tock < tick) debug_cumDeltaStateTicks = debug_cumDeltaStateTicks + maxticks - !$OMP END CRITICAL (debugTimingDeltaState) - endif - end subroutine constitutive_collectDeltaState diff --git a/src/crystallite.f90 b/src/crystallite.f90 index b17b4b3ee..29fda16ed 100644 --- a/src/crystallite.f90 +++ b/src/crystallite.f90 @@ -506,8 +506,7 @@ subroutine crystallite_stressAndItsTangent(updateJaco) debug_levelSelective, & debug_e, & debug_i, & - debug_g, & - debug_CrystalliteLoopDistribution + debug_g use IO, only: & IO_warning, & IO_error @@ -922,13 +921,6 @@ subroutine crystallite_stressAndItsTangent(updateJaco) else ! this crystallite just converged for the entire timestep crystallite_todo(c,i,e) = .false. ! so done here !$OMP FLUSH(crystallite_todo) - if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0_pInt & - .and. formerSubStep > 0.0_pReal) then - !$OMP CRITICAL (distributionCrystallite) - debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) = & - debug_CrystalliteLoopDistribution(min(nCryst+1_pInt,NiterationCrystallite)) + 1_pInt - !$OMP END CRITICAL (distributionCrystallite) - endif endif ! --- cutback --- @@ -1235,8 +1227,7 @@ subroutine crystallite_integrateStateRK4() debug_crystallite, & debug_levelBasic, & debug_levelExtensive, & - debug_levelSelective, & - debug_StateLoopDistribution + debug_levelSelective use FEsolving, only: & FEsolving_execElem, & FEsolving_execIP @@ -1492,15 +1483,7 @@ subroutine crystallite_integrateStateRK4() ! --- SET CONVERGENCE FLAG --- do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains - if (crystallite_todo(g,i,e)) then - crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then - !$OMP CRITICAL (distributionState) - debug_StateLoopDistribution(4,numerics_integrationMode) = & - debug_StateLoopDistribution(4,numerics_integrationMode) + 1_pInt - !$OMP END CRITICAL (distributionState) - endif - endif + crystallite_converged(g,i,e) = crystallite_todo(g,i,e) .or. crystallite_converged(g,i,e) ! if still "to do" then converged per definitionem enddo; enddo; enddo @@ -1532,8 +1515,7 @@ subroutine crystallite_integrateStateRKCK45() debug_crystallite, & debug_levelBasic, & debug_levelExtensive, & - debug_levelSelective, & - debug_StateLoopDistribution + debug_levelSelective use numerics, only: & rTol_crystalliteState, & numerics_integrationMode @@ -1996,15 +1978,7 @@ subroutine crystallite_integrateStateRKCK45() ! --- SET CONVERGENCE FLAG --- !$OMP DO do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains - if (crystallite_todo(g,i,e)) then - crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definition - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then - !$OMP CRITICAL (distributionState) - debug_StateLoopDistribution(6,numerics_integrationMode) = & - debug_StateLoopDistribution(6,numerics_integrationMode) + 1_pInt - !$OMP END CRITICAL (distributionState) - endif - endif + crystallite_converged(g,i,e) = crystallite_todo(g,i,e) .or. crystallite_converged(g,i,e) ! if still "to do" then converged per definition enddo; enddo; enddo !$OMP ENDDO @@ -2037,8 +2011,7 @@ subroutine crystallite_integrateStateAdaptiveEuler() debug_crystallite, & debug_levelBasic, & debug_levelExtensive, & - debug_levelSelective, & - debug_StateLoopDistribution + debug_levelSelective use numerics, only: & rTol_crystalliteState, & numerics_integrationMode @@ -2342,8 +2315,6 @@ subroutine crystallite_integrateStateAdaptiveEuler() crystallite_converged(g,i,e) = .true. ! ... converged per definitionem if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then !$OMP CRITICAL (distributionState) - debug_StateLoopDistribution(2,numerics_integrationMode) = & - debug_StateLoopDistribution(2,numerics_integrationMode) + 1_pInt !$OMP END CRITICAL (distributionState) endif endif @@ -2356,15 +2327,7 @@ subroutine crystallite_integrateStateAdaptiveEuler() !$OMP PARALLEL DO do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains - if (crystallite_todo(g,i,e)) then - crystallite_converged(g,i,e) = .true. ! ... converged per definitionem - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then - !$OMP CRITICAL (distributionState) - debug_StateLoopDistribution(2,numerics_integrationMode) = & - debug_StateLoopDistribution(2,numerics_integrationMode) + 1_pInt - !$OMP END CRITICAL (distributionState) - endif - endif + crystallite_converged(g,i,e) = crystallite_todo(g,i,e) .or. crystallite_converged(g,i,e) ! ... converged per definitionem enddo; enddo; enddo !$OMP END PARALLEL DO @@ -2399,8 +2362,7 @@ subroutine crystallite_integrateStateEuler() debug_crystallite, & debug_levelBasic, & debug_levelExtensive, & - debug_levelSelective, & - debug_StateLoopDistribution + debug_levelSelective use numerics, only: & numerics_integrationMode, & numerics_timeSyncing @@ -2581,15 +2543,7 @@ eIter = FEsolving_execElem(1:2) !$OMP DO do e = eIter(1),eIter(2); do i = iIter(1,e),iIter(2,e); do g = gIter(1,e),gIter(2,e) ! iterate over elements, ips and grains - if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then - crystallite_converged(g,i,e) = .true. ! if still "to do" then converged per definitionem - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then - !$OMP CRITICAL (distributionState) - debug_StateLoopDistribution(1,numerics_integrationMode) = & - debug_StateLoopDistribution(1,numerics_integrationMode) + 1_pInt - !$OMP END CRITICAL (distributionState) - endif - endif + crystallite_converged(g,i,e) = crystallite_todo(g,i,e) .or. crystallite_converged(g,i,e) ! if still "to do" then converged per definitionem enddo; enddo; enddo !$OMP ENDDO @@ -2624,8 +2578,7 @@ subroutine crystallite_integrateStateFPI() debug_crystallite, & debug_levelBasic, & debug_levelExtensive, & - debug_levelSelective, & - debug_StateLoopDistribution + debug_levelSelective use numerics, only: & nState, & numerics_integrationMode, & @@ -2997,16 +2950,8 @@ subroutine crystallite_integrateStateFPI() .or. abs(sourceStateResiduum(1:mySizeSourceDotState,mySource)) < & rTol_crystalliteState * abs(tempSourceState(1:mySizeSourceDotState,mySource))) enddo - if (converged) then - crystallite_converged(g,i,e) = .true. ! ... converged per definition + if (converged) crystallite_converged(g,i,e) = .true. ! ... converged per definition - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then - !$OMP CRITICAL (distributionState) - debug_StateLoopDistribution(NiterationState,numerics_integrationMode) = & - debug_StateLoopDistribution(NiterationState,numerics_integrationMode) + 1_pInt - !$OMP END CRITICAL (distributionState) - endif - endif plasticState(p)%state(1:mySizePlasticDotState,c) = & tempPlasticState(1:mySizePlasticDotState) do mySource = 1_pInt, phase_Nsources(p) @@ -3215,19 +3160,16 @@ logical function crystallite_integrateStress(& subStepSizeLp, & subStepSizeLi use debug, only: debug_level, & - debug_crystallite, & - debug_levelBasic, & - debug_levelExtensive, & - debug_levelSelective, & #ifdef DEBUG debug_e, & debug_i, & debug_g, & #endif - debug_cumLpCalls, & - debug_cumLpTicks, & - debug_StressLoopLpDistribution, & - debug_StressLoopLiDistribution + debug_crystallite, & + debug_levelBasic, & + debug_levelExtensive, & + debug_levelSelective + use constitutive, only: constitutive_LpAndItsTangent, & constitutive_LiAndItsTangent, & constitutive_TandItsTangent @@ -3328,7 +3270,7 @@ logical function crystallite_integrateStress(& if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & .or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) & - write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress at el ip ipc ',el,ip,ipc + write(6,'(a,i8,1x,i2,1x,i3)') '<< CRYST >> integrateStress at el ip ipc ',el,ip,ipc #endif !* only integrate over fraction of timestep? @@ -3432,9 +3374,6 @@ logical function crystallite_integrateStress(& !* calculate plastic velocity gradient and its tangent from constitutive law - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) & - call system_clock(count=tick,count_rate=tickrate,count_max=maxticks) - #ifdef DEBUG if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & @@ -3449,16 +3388,6 @@ logical function crystallite_integrateStress(& call constitutive_LpAndItsTangent(Lp_constitutive, dLp_dT3333, dLp_dFi3333, & Tstar_v, Fi_new, ipc, ip, el) - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then - call system_clock(count=tock,count_rate=tickrate,count_max=maxticks) - !$OMP CRITICAL (debugTimingLpTangent) - debug_cumLpCalls = debug_cumLpCalls + 1_pInt - debug_cumLpTicks = debug_cumLpTicks + tock-tick - !$OMP FLUSH (debug_cumLpTicks) - if (tock < tick) debug_cumLpTicks = debug_cumLpTicks + maxticks - !$OMP END CRITICAL (debugTimingLpTangent) - endif - #ifdef DEBUG if (iand(debug_level(debug_crystallite), debug_levelExtensive) /= 0_pInt & .and. ((el == debug_e .and. ip == debug_i .and. ipc == debug_g) & @@ -3556,13 +3485,6 @@ logical function crystallite_integrateStress(& enddo LpLoop - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then - !$OMP CRITICAL (distributionStress) - debug_StressLoopLpDistribution(NiterationStressLp,numerics_integrationMode) = & - debug_StressLoopLpDistribution(NiterationStressLp,numerics_integrationMode) + 1_pInt - !$OMP END CRITICAL (distributionStress) - endif - !* calculate intermediate velocity gradient and its tangent from constitutive law call constitutive_LiAndItsTangent(Li_constitutive, dLi_dT3333, dLi_dFi3333, & @@ -3643,13 +3565,6 @@ logical function crystallite_integrateStress(& Liguess = Liguess + steplengthLi * deltaLi enddo LiLoop - if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then - !$OMP CRITICAL (distributionStress) - debug_StressLoopLiDistribution(NiterationStressLi,numerics_integrationMode) = & - debug_StressLoopLiDistribution(NiterationStressLi,numerics_integrationMode) + 1_pInt - !$OMP END CRITICAL (distributionStress) - endif - !* calculate new plastic and elastic deformation gradient invFp_new = math_mul33x33(invFp_current,B) diff --git a/src/debug.f90 b/src/debug.f90 index feb1c9fe4..ea2b659a1 100644 --- a/src/debug.f90 +++ b/src/debug.f90 @@ -46,21 +46,11 @@ module debug integer(pInt),protected, dimension(debug_maxNtype+2_pInt), public :: & ! specific ones, and 2 for "all" and "other" debug_level = 0_pInt - integer(pLongInt), public :: & - debug_cumLpCalls = 0_pLongInt, & !< total number of calls to LpAndItsTangent - debug_cumDeltaStateCalls = 0_pLongInt, & !< total number of calls to deltaState - debug_cumDotStateCalls = 0_pLongInt !< total number of calls to dotState - integer(pInt), protected, public :: & debug_e = 1_pInt, & debug_i = 1_pInt, & debug_g = 1_pInt - integer(pLongInt), public :: & - debug_cumLpTicks = 0_pLongInt, & !< total cpu ticks spent in LpAndItsTangent - debug_cumDeltaStateTicks = 0_pLongInt, & !< total cpu ticks spent in deltaState - debug_cumDotStateTicks = 0_pLongInt !< total cpu ticks spent in dotState - integer(pInt), dimension(2), public :: & debug_stressMaxLocation = 0_pInt, & debug_stressMinLocation = 0_pInt, & @@ -68,16 +58,6 @@ module debug debug_jacobianMinLocation = 0_pInt - integer(pInt), dimension(:), allocatable, public :: & - debug_CrystalliteLoopDistribution, & !< distribution of crystallite cutbacks - debug_MaterialpointStateLoopDistribution, & - debug_MaterialpointLoopDistribution - - integer(pInt), dimension(:,:), allocatable, public :: & - debug_StressLoopLiDistribution, & !< distribution of stress iterations until convergence - debug_StressLoopLpDistribution, & !< distribution of stress iterations until convergence - debug_StateLoopDistribution !< distribution of state iterations until convergence - real(pReal), public :: & debug_stressMax = -huge(1.0_pReal), & debug_stressMin = huge(1.0_pReal), & @@ -107,12 +87,7 @@ subroutine debug_init compiler_version, & compiler_options #endif - use numerics, only: & - nStress, & - nState, & - nCryst, & - nMPstate, & - nHomog + use IO, only: & IO_read, & IO_error, & @@ -137,13 +112,6 @@ subroutine debug_init write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" - allocate(debug_StressLoopLpDistribution(nStress+1,2), source=0_pInt) - allocate(debug_StressLoopLiDistribution(nStress+1,2), source=0_pInt) - allocate(debug_StateLoopDistribution(nState+1,2), source=0_pInt) - allocate(debug_CrystalliteLoopDistribution(nCryst+1), source=0_pInt) - allocate(debug_MaterialpointStateLoopDistribution(nMPstate), source=0_pInt) - allocate(debug_MaterialpointLoopDistribution(nHomog+1), source=0_pInt) - !-------------------------------------------------------------------------------------------------- ! try to open the config file @@ -297,18 +265,6 @@ subroutine debug_reset implicit none - debug_StressLoopLpDistribution = 0_pInt - debug_StressLoopLiDistribution = 0_pInt - debug_StateLoopDistribution = 0_pInt - debug_CrystalliteLoopDistribution = 0_pInt - debug_MaterialpointStateLoopDistribution = 0_pInt - debug_MaterialpointLoopDistribution = 0_pInt - debug_cumLpTicks = 0_pLongInt - debug_cumDeltaStateTicks = 0_pLongInt - debug_cumDotStateTicks = 0_pLongInt - debug_cumLpCalls = 0_pInt - debug_cumDeltaStateCalls = 0_pInt - debug_cumDotStateCalls = 0_pInt debug_stressMaxLocation = 0_pInt debug_stressMinLocation = 0_pInt debug_jacobianMaxLocation = 0_pInt @@ -325,123 +281,12 @@ end subroutine debug_reset !> @brief writes debug statements to standard out !-------------------------------------------------------------------------------------------------- subroutine debug_info - use numerics, only: & - nStress, & - nState, & - nCryst, & - nMPstate, & - nHomog implicit none - integer(pInt) :: j,integral - integer(pLongInt) :: tickrate character(len=1) :: exceed - call system_clock(count_rate=tickrate) - + !$OMP CRITICAL (write2out) - debugOutputCryst: if (iand(debug_level(debug_CRYSTALLITE),debug_LEVELBASIC) /= 0) then - write(6,'(/,a,/)') ' DEBUG Info (from previous cycle)' - write(6,'(a33,1x,i12)') 'total calls to LpAndItsTangent :',debug_cumLpCalls - if (debug_cumLpCalls > 0_pInt) then - write(6,'(a33,1x,f12.3)') 'total CPU time/s :',& - real(debug_cumLpTicks,pReal)/real(tickrate,pReal) - write(6,'(a33,1x,f12.6)') 'avg CPU time/microsecs per call :',& - real(debug_cumLpTicks,pReal)*1.0e6_pReal/real(tickrate*debug_cumLpCalls,pReal) - endif - write(6,'(/,a33,1x,i12)') 'total calls to collectDotState :',debug_cumDotStateCalls - if (debug_cumdotStateCalls > 0_pInt) then - write(6,'(a33,1x,f12.3)') 'total CPU time/s :',& - real(debug_cumDotStateTicks,pReal)/real(tickrate,pReal) - write(6,'(a33,1x,f12.6)') 'avg CPU time/microsecs per call :',& - real(debug_cumDotStateTicks,pReal)*1.0e6_pReal/real(tickrate*debug_cumDotStateCalls,pReal) - endif - write(6,'(/,a33,1x,i12)') 'total calls to collectDeltaState:',debug_cumDeltaStateCalls - if (debug_cumDeltaStateCalls > 0_pInt) then - write(6,'(a33,1x,f12.3)') 'total CPU time/s :',& - real(debug_cumDeltaStateTicks,pReal)/real(tickrate,pReal) - write(6,'(a33,1x,f12.6)') 'avg CPU time/microsecs per call :',& - real(debug_cumDeltaStateTicks,pReal)*1.0e6_pReal/real(tickrate*debug_cumDeltaStateCalls,pReal) - endif - - integral = 0_pInt - write(6,'(3/,a)') 'distribution_StressLoopLp : stress stiffness' - do j=1_pInt,nStress+1_pInt - if (any(debug_StressLoopLpDistribution(j,:) /= 0_pInt )) then - integral = integral + j*(debug_StressLoopLpDistribution(j,1) + debug_StressLoopLpDistribution(j,2)) - exceed = ' ' - if (j > nStress) exceed = '+' ! last entry gets "+" - write(6,'(i25,a1,i10,1x,i10)') min(nStress,j),exceed,debug_StressLoopLpDistribution(j,1),& - debug_StressLoopLpDistribution(j,2) - endif - enddo - write(6,'(a15,i10,2(1x,i10))') ' total',integral,sum(debug_StressLoopLpDistribution(:,1)), & - sum(debug_StressLoopLpDistribution(:,2)) - - integral = 0_pInt - write(6,'(3/,a)') 'distribution_StressLoopLi : stress stiffness' - do j=1_pInt,nStress+1_pInt - if (any(debug_StressLoopLiDistribution(j,:) /= 0_pInt )) then - integral = integral + j*(debug_StressLoopLiDistribution(j,1) + debug_StressLoopLiDistribution(j,2)) - exceed = ' ' - if (j > nStress) exceed = '+' ! last entry gets "+" - write(6,'(i25,a1,i10,1x,i10)') min(nStress,j),exceed,debug_StressLoopLiDistribution(j,1),& - debug_StressLoopLiDistribution(j,2) - endif - enddo - write(6,'(a15,i10,2(1x,i10))') ' total',integral,sum(debug_StressLoopLiDistribution(:,1)), & - sum(debug_StressLoopLiDistribution(:,2)) - - integral = 0_pInt - write(6,'(2/,a)') 'distribution_CrystalliteStateLoop :' - do j=1_pInt,nState+1_pInt - if (any(debug_StateLoopDistribution(j,:) /= 0)) then - integral = integral + j*(debug_StateLoopDistribution(j,1) + debug_StateLoopDistribution(j,2)) - exceed = ' ' - if (j > nState) exceed = '+' ! last entry gets "+" - write(6,'(i25,a1,i10,1x,i10)') min(nState,j),exceed,debug_StateLoopDistribution(j,1),& - debug_StateLoopDistribution(j,2) - endif - enddo - write(6,'(a15,i10,2(1x,i10))') ' total',integral,sum(debug_StateLoopDistribution(:,1)), & - sum(debug_StateLoopDistribution(:,2)) - - integral = 0_pInt - write(6,'(2/,a)') 'distribution_CrystalliteCutbackLoop :' - do j=1_pInt,nCryst+1_pInt - if (debug_CrystalliteLoopDistribution(j) /= 0) then - integral = integral + j*debug_CrystalliteLoopDistribution(j) - exceed = ' ' - if (j > nCryst) exceed = '+' - write(6,'(i25,a1,i10)') min(nCryst,j),exceed,debug_CrystalliteLoopDistribution(j) - endif - enddo - write(6,'(a15,i10,1x,i10)') ' total',integral,sum(debug_CrystalliteLoopDistribution) - endif debugOutputCryst - - debugOutputHomog: if (iand(debug_level(debug_HOMOGENIZATION),debug_LEVELBASIC) /= 0) then - integral = 0_pInt - write(6,'(2/,a)') 'distribution_MaterialpointStateLoop :' - do j=1_pInt,nMPstate - if (debug_MaterialpointStateLoopDistribution(j) /= 0) then - integral = integral + j*debug_MaterialpointStateLoopDistribution(j) - write(6,'(i25,1x,i10)') j,debug_MaterialpointStateLoopDistribution(j) - endif - enddo - write(6,'(a15,i10,1x,i10)') ' total',integral,sum(debug_MaterialpointStateLoopDistribution) - - integral = 0_pInt - write(6,'(2/,a)') 'distribution_MaterialpointCutbackLoop :' - do j=1_pInt,nHomog+1_pInt - if (debug_MaterialpointLoopDistribution(j) /= 0) then - integral = integral + j*debug_MaterialpointLoopDistribution(j) - exceed = ' ' - if (j > nHomog) exceed = '+' - write(6,'(i25,a1,i10)') min(nHomog,j),exceed,debug_MaterialpointLoopDistribution(j) - endif - enddo - write(6,'(a15,i10,1x,i10)') ' total',integral,sum(debug_MaterialpointLoopDistribution) - endif debugOutputHomog debugOutputCPFEM: if (iand(debug_level(debug_CPFEM),debug_LEVELBASIC) /= 0 & .and. any(debug_stressMinLocation /= 0_pInt) & diff --git a/src/homogenization.f90 b/src/homogenization.f90 index c1b244d0a..75330e86c 100644 --- a/src/homogenization.f90 +++ b/src/homogenization.f90 @@ -551,9 +551,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt) debug_levelExtensive, & debug_levelSelective, & debug_e, & - debug_i, & - debug_MaterialpointLoopDistribution, & - debug_MaterialpointStateLoopDistribution + debug_i implicit none real(pReal), intent(in) :: dt !< time increment @@ -722,13 +720,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt) hydrogenfluxState(mappingHomogenization(2,i,e))%State( :,mappingHomogenization(1,i,e))! ...internal hydrogen transport state materialpoint_subF0(1:3,1:3,i,e) = materialpoint_subF(1:3,1:3,i,e) ! ...def grad !$OMP FLUSH(materialpoint_subF0) - elseif (materialpoint_requested(i,e)) then steppingNeeded ! already at final time (??) - if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt) then - !$OMP CRITICAL (distributionHomog) - debug_MaterialpointLoopDistribution(min(nHomog+1,NiterationHomog)) = & - debug_MaterialpointLoopDistribution(min(nHomog+1,NiterationHomog)) + 1 - !$OMP END CRITICAL (distributionHomog) - endif endif steppingNeeded else converged @@ -871,8 +862,6 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt) if (materialpoint_converged(i,e)) then if (iand(debug_level(debug_homogenization), debug_levelBasic) /= 0_pInt) then !$OMP CRITICAL (distributionMPState) - debug_MaterialpointStateLoopdistribution(NiterationMPstate) = & - debug_MaterialpointStateLoopdistribution(NiterationMPstate) + 1_pInt !$OMP END CRITICAL (distributionMPState) endif endif diff --git a/src/material.f90 b/src/material.f90 index 2b83c9967..d71fbb37a 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -692,7 +692,7 @@ subroutine material_parseMicrostructure implicit none character(len=65536), dimension(:), allocatable :: & - str + strings integer(pInt), allocatable, dimension(:) :: chunkPos integer(pInt) :: e, m, c, i character(len=65536) :: & @@ -719,21 +719,22 @@ subroutine material_parseMicrostructure allocate(microstructure_texture (microstructure_maxNconstituents,size(config_microstructure)),source=0_pInt) allocate(microstructure_fraction(microstructure_maxNconstituents,size(config_microstructure)),source=0.0_pReal) + allocate(strings(1)) ! Intel 16.0 Bug do m=1_pInt, size(config_microstructure) - str = config_microstructure(m)%getStrings('(constituent)',raw=.true.) - do c = 1_pInt, size(str) - chunkPos = IO_stringPos(str(c)) + strings = config_microstructure(m)%getStrings('(constituent)',raw=.true.) + do c = 1_pInt, size(strings) + chunkPos = IO_stringPos(strings(c)) do i = 1_pInt,5_pInt,2_pInt - tag = IO_stringValue(str(c),chunkPos,i) + tag = IO_stringValue(strings(c),chunkPos,i) select case (tag) case('phase') - microstructure_phase(c,m) = IO_intValue(str(c),chunkPos,i+1_pInt) + microstructure_phase(c,m) = IO_intValue(strings(c),chunkPos,i+1_pInt) case('texture') - microstructure_texture(c,m) = IO_intValue(str(c),chunkPos,i+1_pInt) + microstructure_texture(c,m) = IO_intValue(strings(c),chunkPos,i+1_pInt) case('fraction') - microstructure_fraction(c,m) = IO_floatValue(str(c),chunkPos,i+1_pInt) + microstructure_fraction(c,m) = IO_floatValue(strings(c),chunkPos,i+1_pInt) end select enddo diff --git a/src/numerics.f90 b/src/numerics.f90 index 27b04cd67..8de664248 100644 --- a/src/numerics.f90 +++ b/src/numerics.f90 @@ -217,12 +217,12 @@ subroutine numerics_init #include use petscsys #endif -#if defined(Spectral) || defined(FEM) -!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if using the spectral solver +#if !defined(Marc4DAMASK) +!$ use OMP_LIB, only: omp_set_num_threads ! Standard conforming module implicit none #else implicit none -!$ include "omp_lib.h" ! use the not F90 standard conforming include file to prevent crashes with some versions of MSC.Marc +!$ include "omp_lib.h" ! MSC.Marc includes this file on !its own, avoid conflict with the OMP_LIB module #endif integer(pInt), parameter :: FILEUNIT = 300_pInt !$ integer :: gotDAMASK_NUM_THREADS = 1 diff --git a/src/plastic_kinematichardening.f90 b/src/plastic_kinematichardening.f90 index 0cc51817a..5089cd5ca 100644 --- a/src/plastic_kinematichardening.f90 +++ b/src/plastic_kinematichardening.f90 @@ -370,11 +370,11 @@ subroutine plastic_kinehardening_init(fileUnit) !-------------------------------------------------------------------------------------------------- ! sanity checks - if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt & - .and. param(instance)%crss0(1:nSlipFamilies) < 0.0_pReal)) extmsg = trim(extmsg)//' crss0' - if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt & - .and. param(instance)%tau1(1:nSlipFamilies) <= 0.0_pReal)) extmsg = trim(extmsg)//' tau1' - if (any(plastic_kinehardening_Nslip(1:nSlipFamilies,instance) > 0_pInt & + if (any(plastic_kinehardening_Nslip (1:nSlipFamilies,instance) > 0_pInt & + .and. param(instance)%crss0 (1:nSlipFamilies) < 0.0_pReal)) extmsg = trim(extmsg)//' crss0' + if (any(plastic_kinehardening_Nslip (1:nSlipFamilies,instance) > 0_pInt & + .and. param(instance)%tau1 (1:nSlipFamilies) <= 0.0_pReal)) extmsg = trim(extmsg)//' tau1' + if (any(plastic_kinehardening_Nslip (1:nSlipFamilies,instance) > 0_pInt & .and. param(instance)%tau1_b(1:nSlipFamilies) < 0.0_pReal)) extmsg = trim(extmsg)//' tau1_b' if (param(instance)%gdot0 <= 0.0_pReal) extmsg = trim(extmsg)//' gdot0' if (param(instance)%n_slip <= 0.0_pReal) extmsg = trim(extmsg)//' n_slip' diff --git a/src/spectral_mech_Basic.f90 b/src/spectral_mech_Basic.f90 index b2b5e8173..9911eef21 100644 --- a/src/spectral_mech_Basic.f90 +++ b/src/spectral_mech_Basic.f90 @@ -62,8 +62,6 @@ module spectral_mech_basic integer(pInt), private :: & totalIter = 0_pInt !< total iteration in current increment - real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal - public :: & basic_init, & basic_solution, & @@ -234,12 +232,12 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres !-------------------------------------------------------------------------------------------------- ! input data for solution - character(len=*), intent(in) :: & + character(len=*), intent(in) :: & incInfoIn - real(pReal), intent(in) :: & + real(pReal), intent(in) :: & timeinc, & !< increment time for current solution timeinc_old !< increment time of last successful increment - type(tBoundaryCondition), intent(in) :: & + type(tBoundaryCondition), intent(in) :: & stress_BC real(pReal), dimension(3,3), intent(in) :: rotation_BC @@ -261,7 +259,7 @@ type(tSolutionState) function basic_solution(incInfoIn,timeinc,timeinc_old,stres !-------------------------------------------------------------------------------------------------- ! set module wide availabe data - mask_stress = stress_BC%maskFloat + params%stress_mask = stress_BC%maskFloat params%stress_BC = stress_BC%values params%rotation_BC = rotation_BC params%timeinc = timeinc @@ -287,7 +285,11 @@ end function basic_solution !-------------------------------------------------------------------------------------------------- !> @brief forms the basic residual vector !-------------------------------------------------------------------------------------------------- -subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr) +subroutine Basic_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work) + F, & ! defgrad field on grid + residuum, & ! residuum field on grid + dummy, & + ierr) use numerics, only: & itmax, & itmin @@ -316,9 +318,9 @@ subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr) implicit none DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in PetscScalar, & - dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal !< what is this? + dimension(3,3, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: F PetscScalar, & - dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: f_scal !< what is this? + dimension(3,3, X_RANGE,Y_RANGE,Z_RANGE), intent(out) :: residuum PetscInt :: & PETScIter, & nfuncs @@ -347,28 +349,29 @@ subroutine Basic_formResidual(in,x_scal,f_scal,dummy,ierr) !-------------------------------------------------------------------------------------------------- ! evaluate constitutive response - call Utilities_constitutiveResponse(f_scal,P_av,C_volAvg,C_minMaxAvg, & - x_scal,params%timeinc, params%rotation_BC) + call Utilities_constitutiveResponse(residuum, & ! "residuum" gets field of first PK stress (to save memory) + P_av,C_volAvg,C_minMaxAvg, & + F,params%timeinc,params%rotation_BC) call MPI_Allreduce(MPI_IN_PLACE,terminallyIll,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr) !-------------------------------------------------------------------------------------------------- ! stress BC handling deltaF_aim = math_mul3333xx33(S, P_av - params%stress_BC) F_aim = F_aim - deltaF_aim - err_BC = maxval(abs(mask_stress * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc + err_BC = maxval(abs(params%stress_mask * (P_av - params%stress_BC))) ! mask = 0.0 when no stress bc !-------------------------------------------------------------------------------------------------- ! updated deformation gradient using fix point algorithm of basic scheme tensorField_real = 0.0_pReal - tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = f_scal + tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform call utilities_FFTtensorForward() ! FFT forward of global "tensorField_real" - err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier + err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use call utilities_fourierGammaConvolution(math_rotate_backward33(deltaF_aim,params%rotation_BC)) ! convolution of Gamma and tensorField_fourier, with arg call utilities_FFTtensorBackward() ! FFT backward of global tensorField_fourier !-------------------------------------------------------------------------------------------------- ! constructing residual - f_scal = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too + residuum = tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) ! Gamma*P gives correction towards div(P) = 0, so needs to be zero, too end subroutine Basic_formResidual @@ -391,9 +394,9 @@ subroutine Basic_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,i SNES :: snes_local PetscInt :: PETScIter PetscReal :: & - xnorm, & - snorm, & - fnorm + xnorm, & ! not used + snorm, & ! not used + fnorm ! not used SNESConvergedReason :: reason PetscObject :: dummy PetscErrorCode :: ierr @@ -457,16 +460,16 @@ subroutine Basic_forward(guess,timeinc,timeinc_old,loadCaseTime,deformation_BC,s restartWrite implicit none - logical, intent(in) :: & + logical, intent(in) :: & guess - real(pReal), intent(in) :: & + real(pReal), intent(in) :: & timeinc_old, & timeinc, & loadCaseTime !< remaining time of current load case type(tBoundaryCondition), intent(in) :: & stress_BC, & deformation_BC - real(pReal), dimension(3,3), intent(in) ::& + real(pReal), dimension(3,3), intent(in) :: & rotation_BC PetscErrorCode :: ierr PetscScalar, dimension(:,:,:,:), pointer :: F diff --git a/src/spectral_mech_Polarisation.f90 b/src/spectral_mech_Polarisation.f90 index 9e567f0c9..9518452fa 100644 --- a/src/spectral_mech_Polarisation.f90 +++ b/src/spectral_mech_Polarisation.f90 @@ -27,7 +27,6 @@ module spectral_mech_Polarisation !-------------------------------------------------------------------------------------------------- ! derived types type(tSolutionParams), private :: params - real(pReal), private, dimension(3,3) :: mask_stress = 0.0_pReal !-------------------------------------------------------------------------------------------------- ! PETSc data @@ -289,7 +288,7 @@ type(tSolutionState) function Polarisation_solution(incInfoIn,timeinc,timeinc_ol !-------------------------------------------------------------------------------------------------- ! set module wide availabe data - mask_stress = stress_BC%maskFloat + params%stress_mask = stress_BC%maskFloat params%stress_BC = stress_BC%values params%rotation_BC = rotation_BC params%timeinc = timeinc @@ -315,7 +314,11 @@ end function Polarisation_solution !-------------------------------------------------------------------------------------------------- !> @brief forms the Polarisation residual vector !-------------------------------------------------------------------------------------------------- -subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr) +subroutine Polarisation_formResidual(in, & ! DMDA info (needs to be named "in" for XRANGE, etc. macros to work) + FandF_tau, & ! defgrad fields on grid + residuum, & ! residuum fields on grid + dummy, & + ierr) use numerics, only: & itmax, & itmin, & @@ -352,9 +355,9 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr) implicit none DMDALocalInfo, dimension(DMDA_LOCAL_INFO_SIZE) :: in PetscScalar, & - target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: x_scal + target, dimension(3,3,2, XG_RANGE,YG_RANGE,ZG_RANGE), intent(in) :: FandF_tau PetscScalar, & - target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: f_scal + target, dimension(3,3,2, X_RANGE, Y_RANGE, Z_RANGE), intent(out) :: residuum PetscScalar, pointer, dimension(:,:,:,:,:) :: & F, & F_tau, & @@ -368,20 +371,20 @@ subroutine Polarisation_formResidual(in,x_scal,f_scal,dummy,ierr) integer(pInt) :: & i, j, k, e - F => x_scal(1:3,1:3,1,& - XG_RANGE,YG_RANGE,ZG_RANGE) - F_tau => x_scal(1:3,1:3,2,& - XG_RANGE,YG_RANGE,ZG_RANGE) - residual_F => f_scal(1:3,1:3,1,& - X_RANGE, Y_RANGE, Z_RANGE) - residual_F_tau => f_scal(1:3,1:3,2,& - X_RANGE, Y_RANGE, Z_RANGE) + F => FandF_tau(1:3,1:3,1,& + XG_RANGE,YG_RANGE,ZG_RANGE) + F_tau => FandF_tau(1:3,1:3,2,& + XG_RANGE,YG_RANGE,ZG_RANGE) + residual_F => residuum(1:3,1:3,1,& + X_RANGE, Y_RANGE, Z_RANGE) + residual_F_tau => residuum(1:3,1:3,2,& + X_RANGE, Y_RANGE, Z_RANGE) F_av = sum(sum(sum(F,dim=5),dim=4),dim=3) * wgt call MPI_Allreduce(MPI_IN_PLACE,F_av,9,MPI_DOUBLE,MPI_SUM,PETSC_COMM_WORLD,ierr) call SNESGetNumberFunctionEvals(snes,nfuncs,ierr); CHKERRQ(ierr) - call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr) + call SNESGetIterationNumber(snes,PETScIter,ierr); CHKERRQ(ierr) if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1_pInt ! new increment !-------------------------------------------------------------------------------------------------- @@ -494,8 +497,8 @@ subroutine Polarisation_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason, !-------------------------------------------------------------------------------------------------- ! stress BC handling F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc - err_BC = maxval(abs((1.0_pReal-mask_stress) * math_mul3333xx33(C_scale,F_aim-F_av) + & - mask_stress * (P_av-params%stress_BC))) ! mask = 0.0 for no bc + err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim-F_av) + & + params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc !-------------------------------------------------------------------------------------------------- ! error calculation diff --git a/src/spectral_utilities.f90 b/src/spectral_utilities.f90 index b209ab2ea..f9902ae41 100644 --- a/src/spectral_utilities.f90 +++ b/src/spectral_utilities.f90 @@ -96,11 +96,10 @@ module spectral_utilities integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:) end type tLoadCase - type, public :: tSolutionParams !< @todo use here the type definition for a full loadcase including mask - real(pReal), dimension(3,3) :: stress_BC, rotation_BC + type, public :: tSolutionParams !< @todo use here the type definition for a full loadcase + real(pReal), dimension(3,3) :: stress_mask, stress_BC, rotation_BC real(pReal) :: timeinc real(pReal) :: timeincOld - real(pReal) :: density end type tSolutionParams type, public :: phaseFieldDataBin !< set of parameters defining a phase field From eb7860ba22685c8297a626dbdf82a6ad6dbba102 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 12 Jul 2018 18:30:30 +0200 Subject: [PATCH 020/143] Tolerances were different from original --- src/plastic_dislotwin.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 6793e0225..17394f19e 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -838,7 +838,7 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+prm%totalNslip state(instance)%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) dotState(instance)%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = 1e-6_pReal + plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin @@ -850,7 +850,7 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+prm%totalNtwin state(instance)%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) dotState(instance)%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = 1e-6_pReal + plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans From 0c7c77987b50c5b9d2733d9915c7e2d9c05fccad Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Thu, 12 Jul 2018 23:22:55 +0200 Subject: [PATCH 021/143] typo in plastic dislotwin --- src/plastic_dislotwin.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 17394f19e..8dbaf2e8c 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -838,7 +838,7 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+prm%totalNslip state(instance)%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) dotState(instance)%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal + plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin @@ -850,7 +850,7 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+prm%totalNtwin state(instance)%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) dotState(instance)%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = 1e6_pReal + plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans From fc0499a9bbba547cfba5c21b58ab3a4ad3a49396 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 16 Jul 2018 19:53:26 +0200 Subject: [PATCH 022/143] bug fixes and polishing bugs: wrong bracket in calculation of threshold_stress_twin 3**b_twin instead of 3*b_twin in calculation of threshold_stress_twin ph instead of instance in calculation of mfp_twin --- src/plastic_dislotwin.f90 | 92 ++++++++++++++++----------------------- 1 file changed, 38 insertions(+), 54 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 8dbaf2e8c..cfd1ccb9c 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -347,6 +347,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%twinsize= math_expand(prm%twinsize,prm%Ntwin) prm%r = config_phase(p)%getFloats('r_twin') + prm%r = math_expand(prm%r,prm%Ntwin) prm%L0_twin = config_phase(p)%getFloat('l0_twin') @@ -1041,9 +1042,8 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) sumf,sfe,sumftr real(pReal), dimension(:), allocatable :: & x0 - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: fOverStacksize - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: & - ftransOverLamellarSize + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: fOverStacksize + real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: ftransOverLamellarSize type(tParameters), pointer :: prm @@ -1061,13 +1061,11 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) !* Stacking fault energy - sfe = param(instance)%SFE_0K + & - param(instance)%dSFE_dT * Temperature + sfe = param(instance)%SFE_0K + param(instance)%dSFE_dT * Temperature !* rescaled twin volume fraction for topology - fOverStacksize = & - state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize + fOverStacksize = state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !* rescaled trans volume fraction for topology ftransOverLamellarSize = & @@ -1111,77 +1109,62 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) do s = 1_pInt,prm%totalNslip if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then state(instance)%mfp_slip(s,of) = & - param(instance)%GrainSize/(1.0_pReal+param(instance)%GrainSize*& - (state(instance)%invLambdaSlip(s,of) + & - state(instance)%invLambdaSlipTwin(s,of) + & - state(instance)%invLambdaSlipTrans(s,of))) + prm%GrainSize/(1.0_pReal+prm%GrainSize*& + (state(instance)%invLambdaSlip(s,of) + state(instance)%invLambdaSlipTwin(s,of) + state(instance)%invLambdaSlipTrans(s,of))) else state(instance)%mfp_slip(s,of) = & - param(instance)%GrainSize/& - (1.0_pReal+param(instance)%GrainSize*(state(instance)%invLambdaSlip(s,of))) !!!!!! correct? + prm%GrainSize/& + (1.0_pReal+prm%GrainSize*(state(instance)%invLambdaSlip(s,of))) !!!!!! correct? endif enddo !* mean free path between 2 obstacles seen by a growing twin - - state(instance)%mfp_twin(:,of) = & - param(instance)%Cmfptwin*param(instance)%GrainSize/& - (1.0_pReal+param(instance)%GrainSize*state(ph)%invLambdaTwin(:,of)) + state(instance)%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/& + (1.0_pReal+prm%GrainSize*state(instance)%invLambdaTwin(:,of)) !* mean free path between 2 obstacles seen by a growing martensite - - state(instance)%mfp_trans(:,of) = & - param(instance)%Cmfptrans*param(instance)%GrainSize/& - (1.0_pReal+param(instance)%GrainSize*state(instance)%invLambdaTrans(:,of)) + state(instance)%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/& + (1.0_pReal+prm%GrainSize*state(instance)%invLambdaTrans(:,of)) !* threshold stress for dislocation motion forall (s = 1_pInt:prm%totalNslip) & state(instance)%threshold_stress_slip(s,of) = & lattice_mu(ph)*prm%burgers_slip(s)*& - sqrt(dot_product((state(instance)%rhoEdge(1_pInt:prm%totalNslip,of)+state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& + sqrt(dot_product(state(instance)%rhoEdge(1_pInt:prm%totalNslip,of)+state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of),& prm%interaction_SlipSlip(s,1:prm%totalNslip))) !* threshold stress for growing twin state(instance)%threshold_stress_twin(:,of) = & - param(instance)%Cthresholdtwin* & - (sfe/(3.0_pReal**prm%burgers_twin & + prm%Cthresholdtwin* & + (sfe/(3.0_pReal*prm%burgers_twin) & + 3.0_pReal*prm%burgers_twin*lattice_mu(ph)/& - (param(instance)%L0_twin*prm%burgers_slip)) & - ) + (param(instance)%L0_twin*prm%burgers_slip)) !* threshold stress for growing martensite state(instance)%threshold_stress_trans(:,of) = & - param(instance)%Cthresholdtrans* & + prm%Cthresholdtrans* & (sfe/(3.0_pReal*prm%burgers_trans) & + 3.0_pReal*prm%burgers_trans*lattice_mu(ph)/& - (param(instance)%L0_trans*prm%burgers_slip)& - + param(instance)%transStackHeight*param(instance)%deltaG/ & + (prm%L0_trans*prm%burgers_slip)& + + prm%transStackHeight*prm%deltaG/ & (3.0_pReal*prm%burgers_trans) & ) !* final twin volume after growth - state(instance)%twinVolume(:,of) = & - (pi/4.0_pReal)*prm%twinsize*& - state(instance)%mfp_twin(:,of)**2.0_pReal + state(instance)%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*state(instance)%mfp_twin(:,of)**2.0_pReal !* final martensite volume after growth - state(instance)%martensiteVolume(:,of) = & - (pi/4.0_pReal)*prm%lamellarsizePerTransSystem*& - state(instance)%mfp_trans(:,of)**(2.0_pReal) + state(instance)%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*state(instance)%mfp_trans(:,of)**2.0_pReal - !* equilibrium separation of partial dislocations (twin) - x0 = lattice_mu(ph)*prm%burgers_twin**(2.0_pReal)/& - (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - tau_r_twin(:,instance)= & - lattice_mu(ph)*prm%burgers_twin/(2.0_pReal*pi)*& - (1/(x0+param(instance)%xc_twin)+cos(pi/3.0_pReal)/x0) - !* equilibrium separation of partial dislocations (trans) - - x0 = lattice_mu(ph)*prm%burgers_trans**(2.0_pReal)/& - (sfe*8.0_pReal*pi)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - tau_r_trans(:,instance)= & - lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*pi)*& - (1/(x0+param(instance)%xc_trans)+cos(pi/3.0_pReal)/x0) + !* equilibrium separation of partial dislocations (twin) + x0 = lattice_mu(ph)*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) + tau_r_twin(:,instance)= lattice_mu(ph)*prm%burgers_twin/(2.0_pReal*PI)*& + (1/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) + +!* equilibrium separation of partial dislocations (trans) + x0 = lattice_mu(ph)*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) + tau_r_trans(:,instance)= lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*PI)*& + (1/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) end subroutine plastic_dislotwin_microstructure @@ -1296,7 +1279,7 @@ prm => param(instance) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) + (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) StressRatio_p = stressRatio** prm%p(f) StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) !* Boltzmann ratio @@ -1315,7 +1298,7 @@ prm => param(instance) dgdot_dtauslip(j) = & abs(gdot_slip(j))*BoltzmannRatio*prm%p(f)& *prm%q(f)/& - (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))*& + (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))*& StressRatio_pminus1*(1-StressRatio_p)**(prm%q(f)-1.0_pReal) endif @@ -1434,7 +1417,7 @@ prm => param(instance) gdot_twin(j) = & (1.0_pReal-sumf-sumftr)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dgdot_dtautwin(j) = ((gdot_twin(j)*prm%r(f))/tau_twin(j))*StressRatio_r + dgdot_dtautwin(j) = ((gdot_twin(j)*prm%r(j))/tau_twin(j))*StressRatio_r endif !* Plastic velocity gradient for mechanical twinning @@ -1677,7 +1660,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& - tau_twin(j))**prm%r(f) + tau_twin(j))**prm%r(j) !* Shear rates and their derivatives due to twin select case(lattice_structure(ph)) case (LATTICE_fcc_ID) @@ -1746,7 +1729,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) enddo enddo - + if (el==12) write(6,*) Tstar_v + if (el==12) write(6,*) plasticState(ph)%dotState(:,of),ph,of,el end subroutine plastic_dislotwin_dotState @@ -1998,7 +1982,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) Ndot0_twin=prm%Ndot0_twin(j) end select StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & - **prm%r(f) + **prm%r(j) plastic_dislotwin_postResults(c+j) = & (param(instance)%MaxTwinFraction-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) From e0e03827c520e743b75e372086649d5522f19250 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 16 Jul 2018 21:14:33 +0200 Subject: [PATCH 023/143] simplified --- src/plastic_dislotwin.f90 | 10 ++++------ 1 file changed, 4 insertions(+), 6 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index cfd1ccb9c..eeaf806a3 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -263,11 +263,11 @@ subroutine plastic_dislotwin_init(fileUnit) write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' write(6,'(/,a)') ' A. Ma and F. Roters, Acta Materialia, 52(12):3603–3612, 2004' - write(6,'(/,a)') ' https://doi.org/10.1016/j.actamat.2004.04.012' + write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012' write(6,'(/,a)') ' F.Roters et al., Computational Materials Science, 39:91–95, 2007' - write(6,'(/,a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014' + write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014' write(6,'(/,a)') ' Wong et al., Acta Materialia, 118:140–151, 2016' - write(6,'(/,a)') ' https://doi.org/10.1016/j.actamat.2016.07.032' + write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" @@ -1035,7 +1035,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) integer(pInt) :: & instance, & - s,t,r, & + s, & ph, & of real(pReal) :: & @@ -1729,8 +1729,6 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) enddo enddo - if (el==12) write(6,*) Tstar_v - if (el==12) write(6,*) plasticState(ph)%dotState(:,of),ph,of,el end subroutine plastic_dislotwin_dotState From df42e9ed88bcb29552bbccbbb67e6c2d43a48d0b Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 16 Jul 2018 21:37:26 +0200 Subject: [PATCH 024/143] using associate avoids performance issues related to pointers --- src/plastic_dislotwin.f90 | 43 +++++++++++++++++++-------------------- 1 file changed, 21 insertions(+), 22 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index eeaf806a3..02090f94f 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -125,7 +125,7 @@ module plastic_dislotwin interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance end type - type(tParameters), dimension(:), allocatable, private, target :: param !< containers of constitutive parameters (len Ninstance) + type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance) type, private :: tDislotwinState @@ -258,7 +258,7 @@ subroutine plastic_dislotwin_init(fileUnit) character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::] - type(tParameters), pointer :: prm + type(tParameters),pointer :: prm write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' @@ -522,9 +522,9 @@ subroutine plastic_dislotwin_init(fileUnit) sanityChecks: do p = 1_pInt, size(phase_plasticity) - myPhase: if (phase_plasticity(p) == PLASTICITY_dislotwin_ID) then + if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle instance = phase_plasticityInstance(p) - + prm => param(instance) do f = 1_pInt,lattice_maxNslipFamily ! if (rhoEdge0(f,instance) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') @@ -583,7 +583,6 @@ subroutine plastic_dislotwin_init(fileUnit) !-------------------------------------------------------------------------------------------------- ! Determine total number of active slip or twin systems - endif myPhase enddo sanityChecks ! ToDo: this should be stored somewhere else. Will work only for one instance now @@ -605,10 +604,10 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(dotState(maxNinstance)) initializeInstances: do p = 1_pInt, size(phase_plasticity) - myPhase2: if (phase_plasticity(p) == PLASTICITY_dislotwin_ID) then + if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle NofMyPhase=count(material_phase==p) instance = phase_plasticityInstance(p) - + prm => param(instance) !-------------------------------------------------------------------------------------------------- ! allocate state arrays @@ -951,8 +950,6 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) - endif myPhase2 - enddo initializeInstances end subroutine plastic_dislotwin_init @@ -976,7 +973,7 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) ipc, & !< component-ID of integration point ip, & !< integration point el !< element -type(tParameters), pointer :: prm + type(tParameters):: prm integer(pInt) :: instance,i, & ph, & of @@ -986,7 +983,7 @@ type(tParameters), pointer :: prm of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - prm => param(instance) + associate( prm => param(instance)) !* Total twin volume fraction @@ -1007,7 +1004,7 @@ type(tParameters), pointer :: prm + (state(instance)%stressTransFraction(i,of) + state(instance)%strainTransFraction(i,of))*& Ctrans66(1:6,1:6,i,instance) enddo - + end associate end function plastic_dislotwin_homogenizedC !-------------------------------------------------------------------------------------------------- @@ -1045,14 +1042,14 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: fOverStacksize real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: ftransOverLamellarSize - type(tParameters), pointer :: prm + type(tParameters):: prm !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - prm => param(instance) + associate(prm => param(instance)) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 @@ -1166,7 +1163,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) tau_r_trans(:,instance)= lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*PI)*& (1/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) - +end associate end subroutine plastic_dislotwin_microstructure @@ -1249,7 +1246,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature 0, 1, 1 & ],pReal),[ 3,6]) - type(tParameters), pointer :: prm + type(tParameters) :: prm !* Shortened notation of = phasememberAt(ipc,ip,el) @@ -1261,7 +1258,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dLp_dTstar3333 = 0.0_pReal -prm => param(instance) +associate(prm => param(instance)) !-------------------------------------------------------------------------------------------------- ! Dislocation glide part gdot_slip = 0.0_pReal @@ -1481,7 +1478,7 @@ prm => param(instance) enddo transSystemsLoop enddo transFamiliesLoop - + end associate dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333) end subroutine plastic_dislotwin_LpAndItsTangent @@ -1544,14 +1541,14 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: & tau_trans - type(tParameters), pointer :: prm + type(tParameters) :: prm !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - prm => param(instance) + associate(prm => param(instance)) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 plasticState(ph)%dotState(:,of) = 0.0_pReal @@ -1729,6 +1726,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) enddo enddo +end associate end subroutine plastic_dislotwin_dotState @@ -1786,7 +1784,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) real(pReal), dimension(3,3) :: eigVectors real(pReal), dimension (3) :: eigValues - type(tParameters), pointer :: prm + type(tParameters) :: prm !* Shortened notation of = phasememberAt(ipc,ip,el) @@ -1794,7 +1792,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) instance = phase_plasticityInstance(ph) - prm => param(instance) + associate(prm => param(instance)) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 @@ -2079,6 +2077,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) c = c + prm%totalNtrans end select enddo + end associate end function plastic_dislotwin_postResults end module plastic_dislotwin From b3a6aabdc5fdc3c39f926aea598346d48a6356cf Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 17 Jul 2018 12:32:57 +0200 Subject: [PATCH 025/143] cthresholdtwin was not read in! polished and commented --- src/plastic_dislotwin.f90 | 166 ++++++++++++++++---------------------- 1 file changed, 71 insertions(+), 95 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 02090f94f..efec36603 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -152,9 +152,9 @@ module plastic_dislotwin twinVolume, & martensiteVolume end type + type(tDislotwinState), allocatable, dimension(:), private :: & state, & - state0, & dotState public :: & @@ -335,6 +335,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) prm%xc_twin = config_phase(p)%getFloat('xc_twin') + prm%Cthresholdtwin = config_phase(p)%getFloat('cthresholdtwin', defaultVal=0.0_pReal) prm%interaction_TwinTwin = spread(config_phase(p)%getFloats('interaction_twintwin'),2,1) @@ -585,8 +586,7 @@ subroutine plastic_dislotwin_init(fileUnit) ! Determine total number of active slip or twin systems enddo sanityChecks - ! ToDo: this should be stored somewhere else. Will work only for one instance now - + ! ToDo: this should be stored somewhere else. Works only for the whole instance!! allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal) allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal) @@ -600,7 +600,6 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) allocate(state(maxNinstance)) - allocate(state0(maxNinstance)) allocate(dotState(maxNinstance)) initializeInstances: do p = 1_pInt, size(phase_plasticity) @@ -878,23 +877,26 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip state(instance)%invLambdaSlipTwin=>plasticState(p)%state(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin state(instance)%invLambdaTwin=>plasticState(p)%state(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip state(instance)%invLambdaSlipTrans=>plasticState(p)%state(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans state(instance)%invLambdaTrans=>plasticState(p)%state(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip state(instance)%mfp_slip=>plasticState(p)%state(startIndex:endIndex,:) - state0(instance)%mfp_slip=>plasticState(p)%state0(startIndex:endIndex,:) MeanFreePathSlip0 = param(instance)%GrainSize/(1.0_pReal+invLambdaSlip0*param(instance)%GrainSize) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) @@ -973,7 +975,9 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) ipc, & !< component-ID of integration point ip, & !< integration point el !< element - type(tParameters):: prm + type(tParameters) :: prm + type(tDislotwinState) :: ste + integer(pInt) :: instance,i, & ph, & of @@ -983,25 +987,25 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - associate( prm => param(instance)) + associate( prm => param(instance), ste =>state(instance)) !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 + sumf = sum(ste%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) + sumftr = sum(ste%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(ste%strainTransFraction(1_pInt:prm%totalNtrans,of)) !* Homogenized elasticity matrix plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) do i=1_pInt,prm%totalNtwin plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + state(instance)%twinFraction(i,of)*Ctwin66(1:6,1:6,i,instance) + + ste%twinFraction(i,of)*Ctwin66(1:6,1:6,i,instance) enddo do i=1_pInt,prm%totalNtrans plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + (state(instance)%stressTransFraction(i,of) + state(instance)%strainTransFraction(i,of))*& + + (ste%stressTransFraction(i,of) + ste%strainTransFraction(i,of))*& Ctrans66(1:6,1:6,i,instance) enddo end associate @@ -1043,115 +1047,92 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: ftransOverLamellarSize type(tParameters):: prm + type(tDislotwinState) :: ste !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - associate(prm => param(instance)) + + associate(prm => param(instance), ste => state(instance)) !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 - - !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) + sumf = sum(ste%twinFraction(1:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 + sumftr = sum(ste%stressTransFraction(1:prm%totalNtrans,of)) + & + sum(ste%strainTransFraction(1:prm%totalNtrans,of)) !* Stacking fault energy - sfe = param(instance)%SFE_0K + param(instance)%dSFE_dT * Temperature + sfe = prm%SFE_0K + prm%dSFE_dT * Temperature - !* rescaled twin volume fraction for topology - - fOverStacksize = state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize - - !* rescaled trans volume fraction for topology - ftransOverLamellarSize = & - (state(instance)%stressTransFraction(:,of)+state(instance)%strainTransFraction(:,of))/& - prm%lamellarsizePerTransSystem + !* rescaled volume fraction for topology + fOverStacksize = ste%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize + ftransOverLamellarSize = sumftr /prm%lamellarsizePerTransSystem !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (s = 1_pInt:prm%totalNslip) & - state(instance)%invLambdaSlip(s,of) = & - sqrt(dot_product((state(instance)%rhoEdge(1_pInt:prm%totalNslip,of)+state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& - forestProjectionEdge(1:prm%totalNslip,s,instance)))/ & - prm%CLambdaSlipPerSlipSystem(s) + ste%invLambdaSlip(s,of) = & + sqrt(dot_product((ste%rhoEdge(1_pInt:prm%totalNslip,of)+ste%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& + forestProjectionEdge(1:prm%totalNslip,s,instance)))/prm%CLambdaSlipPerSlipSystem(s) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) - state(instance)%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = 0.0_pReal if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & - state(instance)%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & - matmul(prm%interaction_SlipTwin(1:prm%totalNslip,1:prm%totalNtwin),fOverStacksize(1:prm%totalNtwin))/(1.0_pReal-sumf) - !$OMP END CRITICAL (evilmatmul) - + ste%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & + matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf) + !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin - !$OMP CRITICAL (evilmatmul) - if (prm%totalNtwin > 0_pInt) & - state(instance)%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & - matmul(prm%interaction_TwinTwin(1:prm%totalNtwin,1:prm%totalNtwin),fOverStacksize(1:prm%totalNtwin))/(1.0_pReal-sumf) - !$OMP END CRITICAL (evilmatmul) + + !ToDo: needed? if (prm%totalNtwin > 0_pInt) & + ste%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & + matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf) + !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation - state(instance)%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = 0.0_pReal if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & - state(instance)%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & - matmul(prm%interaction_SlipTrans(1:prm%totalNslip,1:prm%totalNtrans),ftransOverLamellarSize)/(1.0_pReal-sumftr) + ste%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & + matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumftr) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) - if (prm%totalNtrans > 0_pInt) & - state(instance)%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & - matmul(prm%interaction_TransTrans(1:prm%totalNtrans,1:prm%totalNtrans),ftransOverLamellarSize)/(1.0_pReal-sumftr) + !ToDo: needed? if (prm%totalNtrans > 0_pInt) & + + ste%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & + matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumftr) + !$OMP END CRITICAL (evilmatmul) !* mean free path between 2 obstacles seen by a moving dislocation do s = 1_pInt,prm%totalNslip - if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then - state(instance)%mfp_slip(s,of) = & + if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is two simplified + ste%mfp_slip(s,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& - (state(instance)%invLambdaSlip(s,of) + state(instance)%invLambdaSlipTwin(s,of) + state(instance)%invLambdaSlipTrans(s,of))) + (ste%invLambdaSlip(s,of) + ste%invLambdaSlipTwin(s,of) + ste%invLambdaSlipTrans(s,of))) else - state(instance)%mfp_slip(s,of) = & + ste%mfp_slip(s,of) = & prm%GrainSize/& - (1.0_pReal+prm%GrainSize*(state(instance)%invLambdaSlip(s,of))) !!!!!! correct? + (1.0_pReal+prm%GrainSize*(ste%invLambdaSlip(s,of))) !!!!!! correct? endif enddo - !* mean free path between 2 obstacles seen by a growing twin - state(instance)%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/& - (1.0_pReal+prm%GrainSize*state(instance)%invLambdaTwin(:,of)) - - !* mean free path between 2 obstacles seen by a growing martensite - state(instance)%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/& - (1.0_pReal+prm%GrainSize*state(instance)%invLambdaTrans(:,of)) + !* mean free path between 2 obstacles seen by a growing twin/martensite + ste%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*ste%invLambdaTwin(:,of)) + ste%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*ste%invLambdaTrans(:,of)) !* threshold stress for dislocation motion - forall (s = 1_pInt:prm%totalNslip) & - state(instance)%threshold_stress_slip(s,of) = & + forall (s = 1_pInt:prm%totalNslip) ste%threshold_stress_slip(s,of) = & lattice_mu(ph)*prm%burgers_slip(s)*& - sqrt(dot_product(state(instance)%rhoEdge(1_pInt:prm%totalNslip,of)+state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of),& + sqrt(dot_product(ste%rhoEdge(1_pInt:prm%totalNslip,of)+ste%rhoEdgeDip(1_pInt:prm%totalNslip,of),& prm%interaction_SlipSlip(s,1:prm%totalNslip))) - !* threshold stress for growing twin - state(instance)%threshold_stress_twin(:,of) = & - prm%Cthresholdtwin* & - (sfe/(3.0_pReal*prm%burgers_twin) & - + 3.0_pReal*prm%burgers_twin*lattice_mu(ph)/& - (param(instance)%L0_twin*prm%burgers_slip)) - - !* threshold stress for growing martensite - - state(instance)%threshold_stress_trans(:,of) = & - prm%Cthresholdtrans* & - (sfe/(3.0_pReal*prm%burgers_trans) & - + 3.0_pReal*prm%burgers_trans*lattice_mu(ph)/& - (prm%L0_trans*prm%burgers_slip)& - + prm%transStackHeight*prm%deltaG/ & - (3.0_pReal*prm%burgers_trans) & - ) - !* final twin volume after growth - state(instance)%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*state(instance)%mfp_twin(:,of)**2.0_pReal - - !* final martensite volume after growth - state(instance)%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*state(instance)%mfp_trans(:,of)**2.0_pReal + !* threshold stress for growing twin/martensite + ste%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & + (sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*lattice_mu(ph)/ & + (prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct? + ste%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & + (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*lattice_mu(ph)/& + (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) + + ! final volume after growth + ste%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*ste%mfp_twin(:,of)**2.0_pReal + ste%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*ste%mfp_trans(:,of)**2.0_pReal !* equilibrium separation of partial dislocations (twin) x0 = lattice_mu(ph)*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) @@ -1577,20 +1558,17 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates - DotGamma0 = & - plasticState(ph)%state(j, of)*prm%burgers_slip(j)*& - prm%v0(j) + DotGamma0 = plasticState(ph)%state(j, of)*prm%burgers_slip(j)*prm%v0(j) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & prm%q(f))*sign(1.0_pReal,tau_slip(j)) endif !* Multiplication - DotRhoMultiplication = abs(gdot_slip(j))/& - (prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) + DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) + !* Dipole formation - EdgeDipMinDistance = & - param(instance)%CEdgeDipMinDistance*prm%burgers_slip(j) + EdgeDipMinDistance = param(instance)%CEdgeDipMinDistance*prm%burgers_slip(j) if (dEq0(tau_slip(j))) then DotRhoDipFormation = 0.0_pReal else @@ -1632,12 +1610,10 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) endif endif !* Edge dislocation density rate of change - dotState(instance)%rhoEdge(j,of) = & - DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation + dotState(instance)%rhoEdge(j,of) = DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation !* Edge dislocation dipole density rate of change - dotState(instance)%rhoEdgeDip(j,of) = & - DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb + dotState(instance)%rhoEdgeDip(j,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb !* Dotstate for accumulated shear due to slip dotState(instance)%accshear_slip(j,of) = abs(gdot_slip(j)) From a3037a606414d5bff4a2385a99267f604ec3e353 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 17 Jul 2018 18:02:55 +0200 Subject: [PATCH 026/143] cmpftwin was not read in --- src/plastic_dislotwin.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index efec36603..a35f8e1d8 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -336,7 +336,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%xc_twin = config_phase(p)%getFloat('xc_twin') prm%Cthresholdtwin = config_phase(p)%getFloat('cthresholdtwin', defaultVal=0.0_pReal) - + prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%interaction_TwinTwin = spread(config_phase(p)%getFloats('interaction_twintwin'),2,1) if (lattice_structure(p) /= LATTICE_fcc_ID) then From 3f285d3a3f1a3b6bd7726a6f74c671e300ae3b83 Mon Sep 17 00:00:00 2001 From: Sharan Roongta Date: Tue, 17 Jul 2018 19:29:39 +0200 Subject: [PATCH 027/143] polishing: prm replaces param(instance) --- src/plastic_dislotwin.f90 | 136 +++++++++++++++++++------------------- 1 file changed, 68 insertions(+), 68 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index a35f8e1d8..9fe7893ca 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -544,42 +544,42 @@ subroutine plastic_dislotwin_init(fileUnit) !if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') enddo - if (param(instance)%CAtomicVolume <= 0.0_pReal) & + if (prm%CAtomicVolume <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') - if (param(instance)%D0 <= 0.0_pReal) & + if (prm%D0 <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') - if (param(instance)%Qsd <= 0.0_pReal) & + if (prm%Qsd <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') if (prm%totalNtwin > 0_pInt) then - if (dEq0(param(instance)%SFE_0K) .and. & - dEq0(param(instance)%dSFE_dT) .and. & + if (dEq0(prm%SFE_0K) .and. & + dEq0(prm%dSFE_dT) .and. & lattice_structure(p) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (param(instance)%aTolRho <= 0.0_pReal) & + if (prm%aTolRho <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') - if (param(instance)%aTolTwinFrac <= 0.0_pReal) & + if (prm%aTolTwinFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') endif if (prm%totalNtrans > 0_pInt) then - if (dEq0(param(instance)%SFE_0K) .and. & - dEq0(param(instance)%dSFE_dT) .and. & + if (dEq0(prm%SFE_0K) .and. & + dEq0(prm%dSFE_dT) .and. & lattice_structure(p) == LATTICE_fcc_ID) & call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (param(instance)%aTolTransFrac <= 0.0_pReal) & + if (prm%aTolTransFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (param(instance)%sbResistance < 0.0_pReal) & + if (prm%sbResistance < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') - if (param(instance)%sbVelocity < 0.0_pReal) & + if (prm%sbVelocity < 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') - if (param(instance)%sbVelocity > 0.0_pReal .and. & - param(instance)%pShearBand <= 0.0_pReal) & + if (prm%sbVelocity > 0.0_pReal .and. & + prm%pShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') - if (dNeq0(param(instance)%dipoleFormationFactor) .and. & - dNeq(param(instance)%dipoleFormationFactor, 1.0_pReal)) & + if (dNeq0(prm%dipoleFormationFactor) .and. & + dNeq(prm%dipoleFormationFactor, 1.0_pReal)) & call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') - if (param(instance)%sbVelocity > 0.0_pReal .and. & - param(instance)%qShearBand <= 0.0_pReal) & + if (prm%sbVelocity > 0.0_pReal .and. & + prm%qShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') !-------------------------------------------------------------------------------------------------- @@ -823,7 +823,7 @@ subroutine plastic_dislotwin_init(fileUnit) dotState(instance)%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) - plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolRho + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip @@ -831,7 +831,7 @@ subroutine plastic_dislotwin_init(fileUnit) dotState(instance)%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) - plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolRho + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip @@ -843,7 +843,7 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+prm%totalNtwin state(instance)%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) dotState(instance)%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolTwinFrac + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin @@ -855,13 +855,13 @@ subroutine plastic_dislotwin_init(fileUnit) endIndex=endIndex+prm%totalNtrans state(instance)%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:) dotState(instance)%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans state(instance)%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) dotState(instance)%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = param(instance)%aTolTransFrac + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip @@ -897,21 +897,21 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip state(instance)%mfp_slip=>plasticState(p)%state(startIndex:endIndex,:) - MeanFreePathSlip0 = param(instance)%GrainSize/(1.0_pReal+invLambdaSlip0*param(instance)%GrainSize) + MeanFreePathSlip0 = prm%GrainSize/(1.0_pReal+invLambdaSlip0*prm%GrainSize) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin state(instance)%mfp_twin=>plasticState(p)%state(startIndex:endIndex,:) - MeanFreePathTwin0 = spread(param(instance)%GrainSize,1,prm%totalNtwin) + MeanFreePathTwin0 = spread(prm%GrainSize,1,prm%totalNtwin) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans state(instance)%mfp_trans=>plasticState(p)%state(startIndex:endIndex,:) - MeanFreePathTrans0 = spread(param(instance)%GrainSize,1,prm%totalNtrans) + MeanFreePathTrans0 = spread(prm%GrainSize,1,prm%totalNtrans) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) @@ -1305,7 +1305,7 @@ associate(prm => param(instance)) !-------------------------------------------------------------------------------------------------- ! Shear banding (shearband) part - if(dNeq0(param(instance)%sbVelocity) .and. dNeq0(param(instance)%sbResistance)) then + if(dNeq0(prm%sbVelocity) .and. dNeq0(prm%sbResistance)) then gdot_sb = 0.0_pReal dgdot_dtausb = 0.0_pReal call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) @@ -1324,27 +1324,27 @@ associate(prm => param(instance)) StressRatio_p = 0.0_pReal StressRatio_pminus1 = 0.0_pReal else - StressRatio_p = (abs(tau_sb(j))/param(instance)%sbResistance)& - **param(instance)%pShearBand - StressRatio_pminus1 = (abs(tau_sb(j))/param(instance)%sbResistance)& - **(param(instance)%pShearBand-1.0_pReal) + StressRatio_p = (abs(tau_sb(j))/prm%sbResistance)& + **prm%pShearBand + StressRatio_pminus1 = (abs(tau_sb(j))/prm%sbResistance)& + **(prm%pShearBand-1.0_pReal) endif !* Boltzmann ratio - BoltzmannRatio = param(instance)%sbQedge/(kB*Temperature) + BoltzmannRatio = prm%sbQedge/(kB*Temperature) !* Initial shear rates - DotGamma0 = param(instance)%sbVelocity + DotGamma0 = prm%sbVelocity !* Shear rates due to shearband gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - param(instance)%qShearBand)*sign(1.0_pReal,tau_sb(j)) + prm%qShearBand)*sign(1.0_pReal,tau_sb(j)) !* Derivatives of shear rates dgdot_dtausb(j) = & ((abs(gdot_sb(j))*BoltzmannRatio*& - param(instance)%pShearBand*param(instance)%qShearBand)/& - param(instance)%sbResistance)*& - StressRatio_pminus1*(1_pInt-StressRatio_p)**(param(instance)%qShearBand-1.0_pReal) + prm%pShearBand*prm%qShearBand)/& + prm%sbResistance)*& + StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) !* Plastic velocity gradient for shear banding Lp = Lp + gdot_sb(j)*sb_Smatrix @@ -1383,8 +1383,8 @@ associate(prm => param(instance)) if (tau_twin(j) < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (param(instance)%L0_twin*prm%burgers_slip(j))*& - (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& + (prm%L0_twin*prm%burgers_slip(j))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau_twin(j)))) else Ndot0_twin=0.0_pReal @@ -1432,8 +1432,8 @@ associate(prm => param(instance)) if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (param(instance)%L0_trans*prm%burgers_slip(j))*& - (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& + (prm%L0_trans*prm%burgers_slip(j))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (tau_r_trans(j,instance)-tau_trans(j)))) else Ndot0_trans=0.0_pReal @@ -1552,7 +1552,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) + (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) StressRatio_p = stressRatio** prm%p(f) StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) !* Boltzmann ratio @@ -1568,7 +1568,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) !* Dipole formation - EdgeDipMinDistance = param(instance)%CEdgeDipMinDistance*prm%burgers_slip(j) + EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(j) if (dEq0(tau_slip(j))) then DotRhoDipFormation = 0.0_pReal else @@ -1579,7 +1579,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if (EdgeDipDistance tol_math_check) then !* Stress ratios stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+& + (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f))) StressRatio_p = stressRatio** prm%p(f) StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) @@ -1870,18 +1870,18 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) StressRatio_p = 0.0_pReal StressRatio_pminus1 = 0.0_pReal else - StressRatio_p = (abs(tau)/param(instance)%sbResistance)**& - param(instance)%pShearBand - StressRatio_pminus1 = (abs(tau)/param(instance)%sbResistance)**& - (param(instance)%pShearBand-1.0_pReal) + StressRatio_p = (abs(tau)/prm%sbResistance)**& + prm%pShearBand + StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**& + (prm%pShearBand-1.0_pReal) endif !* Boltzmann ratio - BoltzmannRatio = param(instance)%sbQedge/(kB*Temperature) + BoltzmannRatio = prm%sbQedge/(kB*Temperature) !* Initial shear rates - DotGamma0 = param(instance)%sbVelocity + DotGamma0 = prm%sbVelocity ! Shear rate due to shear band plastic_dislotwin_postResults(c+j) = & - DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**param(instance)%qShearBand)*& + DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& sign(1.0_pReal,tau) enddo c = c + 6_pInt @@ -1903,11 +1903,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+& + (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& **prm%p(f) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+& + (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& **(prm%p(f)-1.0_pReal) !* Boltzmann ratio @@ -1943,9 +1943,9 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if (tau < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (param(instance)%L0_twin*& + (prm%L0_twin*& prm%burgers_slip(j))*& - (1.0_pReal-exp(-param(instance)%VcrossSlip/(kB*Temperature)*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau))) else Ndot0_twin=0.0_pReal @@ -1956,7 +1956,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & **prm%r(j) plastic_dislotwin_postResults(c+j) = & - (param(instance)%MaxTwinFraction-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& + (prm%MaxTwinFraction-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) endif @@ -1995,11 +1995,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+& + (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& **prm%p(f) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& - (param(instance)%SolidSolutionStrength+& + (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& **(prm%p(f)-1.0_pReal) !* Boltzmann ratio @@ -2017,7 +2017,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) dgdot_dtauslip = & abs(gdot_slip(j))*BoltzmannRatio*prm%p(f)& *prm%q(f)/& - (param(instance)%SolidSolutionStrength+& + (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f))*& StressRatio_pminus1*(1-StressRatio_p)**(prm%q(f)-1.0_pReal) From 855427935173a4fad816cd67e4edac3c1f5610cf Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 20 Jul 2018 04:02:49 +0200 Subject: [PATCH 028/143] outputID is not of default integer type (causes trouble with MSC.Marc) --- src/plastic_dislotwin.f90 | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 9fe7893ca..1b91516bf 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -57,12 +57,12 @@ module plastic_dislotwin type,private :: tParameters integer(kind(undefined_ID)), dimension(:), allocatable, private :: & - outputID !< ID of each post result output + outputID !< ID of each post result output real(pReal) :: & - CAtomicVolume, & !< atomic volume in Bugers vector unit - D0, & !< prefactor for self-diffusion coefficient - Qsd, & !< activation energy for dislocation climb + CAtomicVolume, & !< atomic volume in Bugers vector unit + D0, & !< prefactor for self-diffusion coefficient + Qsd, & !< activation energy for dislocation climb GrainSize, & ! Date: Fri, 20 Jul 2018 17:52:15 +0200 Subject: [PATCH 029/143] don't depend on any shear band parameters if sbVelocity is switched of --- src/plastic_dislotwin.f90 | 49 ++++++++++++++++++--------------------- 1 file changed, 22 insertions(+), 27 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 1b91516bf..5bf2788e2 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -283,6 +283,8 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(plastic_dislotwin_output(maxval(phase_Noutput),maxNinstance)) plastic_dislotwin_output = '' allocate(param(maxNinstance)) + allocate(state(maxNinstance)) + allocate(dotState(maxNinstance)) allocate(sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) @@ -398,9 +400,9 @@ subroutine plastic_dislotwin_init(fileUnit) endif - prm%aTolRho = config_phase(p)%getFloat('atol_rho') - prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac') - prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac') + prm%aTolRho = config_phase(p)%getFloat('atol_rho', defaultVal=0.0_pReal) + prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=0.0_pReal) + prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac', defaultVal=0.0_pReal) prm%CAtomicVolume = config_phase(p)%getFloat('catomicvolume') prm%GrainSize = config_phase(p)%getFloat('grainsize') @@ -410,13 +412,14 @@ subroutine plastic_dislotwin_init(fileUnit) prm%Qsd = config_phase(p)%getFloat('qsd') prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') prm%dipoleFormationFactor= config_phase(p)%getFloat('dipoleformationfactor', defaultVal=1.0_pReal) ! ToDo: How to handle that??? - - prm%sbResistance = config_phase(p)%getFloat('shearbandresistance',defaultVal=0.0_pReal) prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) - prm%sbQedge = config_phase(p)%getFloat('qedgepersbsystem') - prm%pShearBand = config_phase(p)%getFloat('p_shearband') - prm%qShearBand = config_phase(p)%getFloat('q_shearband') - + if (prm%sbVelocity > 0.0_pReal) then + prm%sbResistance = config_phase(p)%getFloat('shearbandresistance') + prm%sbQedge = config_phase(p)%getFloat('qedgepersbsystem') + prm%pShearBand = config_phase(p)%getFloat('p_shearband') + prm%qShearBand = config_phase(p)%getFloat('q_shearband') + endif + outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyString) allocate(prm%outputID(0)) do i= 1_pInt, size(outputs) @@ -520,13 +523,8 @@ subroutine plastic_dislotwin_init(fileUnit) endif enddo - enddo - sanityChecks: do p = 1_pInt, size(phase_plasticity) - if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle - instance = phase_plasticityInstance(p) - prm => param(instance) do f = 1_pInt,lattice_maxNslipFamily ! if (rhoEdge0(f,instance) < 0.0_pReal) & ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') @@ -569,13 +567,13 @@ subroutine plastic_dislotwin_init(fileUnit) if (prm%aTolTransFrac <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') endif - if (prm%sbResistance < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%sbVelocity < 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%sbVelocity > 0.0_pReal .and. & - prm%pShearBand <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbResistance < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbVelocity < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbVelocity > 0.0_pReal .and. & + ! prm%pShearBand <= 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') if (dNeq0(prm%dipoleFormationFactor) .and. & dNeq(prm%dipoleFormationFactor, 1.0_pReal)) & call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') @@ -583,11 +581,10 @@ subroutine plastic_dislotwin_init(fileUnit) prm%qShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') -!-------------------------------------------------------------------------------------------------- -! Determine total number of active slip or twin systems - enddo sanityChecks + enddo ! ToDo: this should be stored somewhere else. Works only for the whole instance!! +! prm%totalNtwin should be the maximum over all totalNtwins! allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal) allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal) @@ -600,8 +597,6 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) - allocate(state(maxNinstance)) - allocate(dotState(maxNinstance)) initializeInstances: do p = 1_pInt, size(phase_plasticity) if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle @@ -1306,7 +1301,7 @@ associate(prm => param(instance)) !-------------------------------------------------------------------------------------------------- ! Shear banding (shearband) part - if(dNeq0(prm%sbVelocity) .and. dNeq0(prm%sbResistance)) then + if(dNeq0(prm%sbVelocity)) then gdot_sb = 0.0_pReal dgdot_dtausb = 0.0_pReal call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) From b8e81930011c3efc510ed48e346bc852981f6b9e Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 3 Aug 2018 07:30:09 +0200 Subject: [PATCH 030/143] many imported functions not used anymore, moving parameters to structure --- src/plastic_dislotwin.f90 | 92 +++++++++++++++++---------------------- 1 file changed, 40 insertions(+), 52 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 5bf2788e2..27095660e 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -17,9 +17,6 @@ module plastic_dislotwin real(pReal), parameter, private :: & kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin - real(pReal), dimension(:,:,:,:), allocatable, private :: & - Ctwin66,& !< twin elasticity matrix in Mandel notation for each instance - Ctrans66 !< trans elasticity matrix in Mandel notation for each instance real(pReal), dimension(:,:), allocatable, private :: & tau_r_twin, & !< stress to bring partial close together for each twin system and instance tau_r_trans !< stress to bring partial close together for each trans system and instance @@ -123,6 +120,9 @@ module plastic_dislotwin interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance + real(pReal), dimension(:,:,:), allocatable, private :: & + Ctwin66, & + Ctrans66 end type type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance) @@ -196,18 +196,9 @@ subroutine plastic_dislotwin_init(fileUnit) mesh_maxNips, & mesh_NcpElems use IO, only: & - IO_read, & - IO_lc, & - IO_getTag, & - IO_isBlank, & - IO_stringPos, & - IO_stringValue, & - IO_floatValue, & - IO_intValue, & IO_warning, & IO_error, & - IO_timeStamp, & - IO_EOF + IO_timeStamp use material, only: & homogenization_maxNgrains, & phase_plasticity, & @@ -236,8 +227,8 @@ subroutine plastic_dislotwin_init(fileUnit) integer(kind(undefined_ID)) outputID real(pReal), dimension(:,:,:,:,:), allocatable :: & - Ctwin3333, & !< twin elasticity matrix for each instance - Ctrans3333 !< trans elasticity matrix for each instance + Ctwin3333, & !< twin elasticity matrix + Ctrans3333 !< trans elasticity matrix real(pReal), allocatable, dimension(:) :: & invLambdaSlip0,& @@ -582,21 +573,10 @@ subroutine plastic_dislotwin_init(fileUnit) call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') enddo - - ! ToDo: this should be stored somewhere else. Works only for the whole instance!! -! prm%totalNtwin should be the maximum over all totalNtwins! - allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal) - allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal) allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal) allocate(projectionMatrix_Trans(prm%totalNtrans,prm%totalNslip,maxNinstance), source=0.0_pReal) - allocate(Ctwin66(6,6,prm%totalNtwin,maxNinstance), source=0.0_pReal) - allocate(Ctrans66(6,6,prm%totalNtrans,maxNinstance), source=0.0_pReal) - - allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) - allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) - initializeInstances: do p = 1_pInt, size(phase_plasticity) if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle @@ -694,11 +674,12 @@ subroutine plastic_dislotwin_init(fileUnit) prm%interaction_SlipTwin = temp2; deallocate(temp2) prm%interaction_SlipTrans = temp3; deallocate(temp3) - - allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) - allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) - Ctwin3333 = 0.0_pReal + allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) + allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) + allocate(prm%Ctwin66(6,6,prm%totalNtwin), source=0.0_pReal) + if (allocated(Ctwin3333)) deallocate(Ctwin3333) + allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list @@ -719,7 +700,7 @@ subroutine plastic_dislotwin_init(fileUnit) lattice_Qtwin(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo - Ctwin66(1:6,1:6,index_myFamily+j,instance) = & + prm%Ctwin66(1:6,1:6,index_myFamily+j) = & math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) !* Interaction matrices @@ -749,16 +730,17 @@ subroutine plastic_dislotwin_init(fileUnit) prm%interaction_TwinTwin = temp2; deallocate(temp2) - allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) + allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) - + allocate(prm%Ctrans66(6,6,prm%totalNtrans) ,source=0.0_pReal) + if (allocated(Ctrans3333)) deallocate(Ctrans3333) + allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) - index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list + index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) - Ctrans3333 = 0.0_pReal - index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list + index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt Ctrans3333(l,m,n,o,index_myFamily+j) = & @@ -770,7 +752,7 @@ subroutine plastic_dislotwin_init(fileUnit) lattice_Qtrans(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo - Ctrans66(1:6,1:6,index_myFamily+j,instance) = & + prm%Ctrans66(1:6,1:6,index_myFamily+j) = & math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) !* Interaction matrices @@ -949,11 +931,14 @@ subroutine plastic_dislotwin_init(fileUnit) spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) enddo initializeInstances + + ! ToDo: this should be stored somewhere else. Works only for the whole instance!! + ! ToDo: prm%totalNtwin should be the maximum over all totalNtwins! + allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal) + allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal) + end subroutine plastic_dislotwin_init - - - !-------------------------------------------------------------------------------------------------- !> @brief returns the homogenized elasticity matrix !-------------------------------------------------------------------------------------------------- @@ -997,12 +982,12 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) do i=1_pInt,prm%totalNtwin plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + ste%twinFraction(i,of)*Ctwin66(1:6,1:6,i,instance) + + ste%twinFraction(i,of)*prm%Ctwin66(1:6,1:6,i) enddo do i=1_pInt,prm%totalNtrans plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & + (ste%stressTransFraction(i,of) + ste%strainTransFraction(i,of))*& - Ctrans66(1:6,1:6,i,instance) + prm%Ctrans66(1:6,1:6,i) enddo end associate end function plastic_dislotwin_homogenizedC @@ -1037,10 +1022,10 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) of real(pReal) :: & sumf,sfe,sumftr - real(pReal), dimension(:), allocatable :: & - x0 - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: fOverStacksize - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: ftransOverLamellarSize + real(pReal), dimension(:), allocatable :: & + x0, & + fOverStacksize, & + ftransOverLamellarSize type(tParameters):: prm type(tDislotwinState) :: ste @@ -1051,13 +1036,14 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - associate(prm => param(instance), ste => state(instance)) - !* Total twin volume fraction - sumf = sum(ste%twinFraction(1:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 + associate(prm => param(instance), & + ste => state(instance)) + + sumf = sum(ste%twinFraction(1:prm%totalNtwin,of)) + sumftr = sum(ste%stressTransFraction(1:prm%totalNtrans,of)) + & sum(ste%strainTransFraction(1:prm%totalNtrans,of)) - !* Stacking fault energy sfe = prm%SFE_0K + prm%dSFE_dT * Temperature !* rescaled volume fraction for topology @@ -1097,7 +1083,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !* mean free path between 2 obstacles seen by a moving dislocation do s = 1_pInt,prm%totalNslip - if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is two simplified + if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified ste%mfp_slip(s,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& (ste%invLambdaSlip(s,of) + ste%invLambdaSlipTwin(s,of) + ste%invLambdaSlipTrans(s,of))) @@ -1130,11 +1116,13 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) ste%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*ste%mfp_twin(:,of)**2.0_pReal ste%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*ste%mfp_trans(:,of)**2.0_pReal + + +!ToDo: MD: This does not work for non-isothermal simulations!!!!! !* equilibrium separation of partial dislocations (twin) x0 = lattice_mu(ph)*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) tau_r_twin(:,instance)= lattice_mu(ph)*prm%burgers_twin/(2.0_pReal*PI)*& (1/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) - !* equilibrium separation of partial dislocations (trans) x0 = lattice_mu(ph)*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) tau_r_trans(:,instance)= lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*PI)*& From fc4253ed578662d597331b0abc827280d7335677 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 11:37:14 +0200 Subject: [PATCH 031/143] conversion from 3x3 to 6 of stress in constitutive will be remove later --- src/plastic_dislotwin.f90 | 85 +++++++++++++++++++++++---------------- 1 file changed, 51 insertions(+), 34 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 27095660e..250506068 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -113,13 +113,17 @@ module plastic_dislotwin r, & !< r-exponent in twin nucleation rate s !< s-exponent in trans nucleation rate real(pReal), dimension(:,:), allocatable, private :: & - interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance - interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance - interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance - interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance - interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance - interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance - interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance + interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance + interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance + interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance + interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance + interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance + interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance + interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance + real(pReal), dimension(:,:,:), allocatable :: & + Schmid_trans, & + Schmid_slip, & + Schmid_twin real(pReal), dimension(:,:,:), allocatable, private :: & Ctwin66, & Ctrans66 @@ -1146,6 +1150,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature math_eigenValuesVectorsSym, & math_tensorproduct33, & math_symmetric33, & + math_mul33xx33, & math_mul33x3 use material, only: & material_phase, & @@ -1211,7 +1216,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature 0, 1, 1 & ],pReal),[ 3,6]) - type(tParameters) :: prm + real(pReal), dimension(3,3) :: & + S !< Second-Piola Kirchhoff stress + type(tParameters) :: prm !* Shortened notation of = phasememberAt(ipc,ip,el) @@ -1222,8 +1229,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Lp = 0.0_pReal dLp_dTstar3333 = 0.0_pReal - -associate(prm => param(instance)) + S = math_Mandel6to33(Tstar_v) + + associate(prm => param(instance)) !-------------------------------------------------------------------------------------------------- ! Dislocation glide part gdot_slip = 0.0_pReal @@ -1236,7 +1244,7 @@ associate(prm => param(instance)) !* Calculation of Lp !* Resolved shear stress on slip system - tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) + tau_slip(j) = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios @@ -1292,7 +1300,7 @@ associate(prm => param(instance)) if(dNeq0(prm%sbVelocity)) then gdot_sb = 0.0_pReal dgdot_dtausb = 0.0_pReal - call math_eigenValuesVectorsSym(math_Mandel6to33(Tstar_v),eigValues,eigVectors,error) + call math_eigenValuesVectorsSym(S,eigValues,eigVectors,error) do j = 1_pInt,6_pInt sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) @@ -1354,7 +1362,7 @@ associate(prm => param(instance)) !* Calculation of Lp !* Resolved shear stress on twin system - tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) + tau_twin(j) = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) !* Stress ratios if (tau_twin(j) > tol_math_check) then @@ -1403,7 +1411,7 @@ associate(prm => param(instance)) j = j+1_pInt !* Resolved shear stress on transformation system - tau_trans(j) = dot_product(Tstar_v,lattice_Strans_v(:,index_myFamily+i,ph)) + tau_trans(j) = math_mul33xx33(S,lattice_Strans(1:3,1:3,index_myFamily+i,ph)) !* Stress ratios if (tau_trans(j) > tol_math_check) then @@ -1457,6 +1465,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) tol_math_check, & dEq0 use math, only: & + math_mul33xx33, & + math_Mandel6to33, & pi use material, only: & material_phase, & @@ -1464,9 +1474,9 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) plasticState, & phaseAt, phasememberAt use lattice, only: & - lattice_Sslip_v, & - lattice_Stwin_v, & - lattice_Strans_v, & + lattice_Sslip, & + lattice_Stwin, & + lattice_Strans, & lattice_maxNslipFamily, & lattice_maxNtwinFamily, & lattice_maxNtransFamily, & @@ -1506,6 +1516,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: & tau_trans + real(pReal), dimension(3,3) :: & + S !< Second-Piola Kirchhoff stress type(tParameters) :: prm !* Shortened notation @@ -1513,6 +1525,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) + S = math_Mandel6to33(Tstar_v) + associate(prm => param(instance)) !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 @@ -1531,7 +1545,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = j+1_pInt !* Resolved shear stress on slip system - tau_slip(j) = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) + tau_slip(j) = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios @@ -1613,7 +1627,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = j+1_pInt !* Resolved shear stress on twin system - tau_twin(j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) + tau_twin(j) = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) !* Stress ratios if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& @@ -1653,7 +1667,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = j+1_pInt !* Resolved shear stress on transformation system - tau_trans(j) = dot_product(Tstar_v,lattice_Strans_v(:,index_myFamily+i,ph)) + tau_trans(j) = math_mul33xx33(S,lattice_Strans(1:3,1:3,index_myFamily+i,ph)) !* Stress ratios if (tau_trans(j) > tol_math_check) then @@ -1700,6 +1714,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) dEq0 use math, only: & pi, & + math_mul33xx33, & math_Mandel6to33, & math_eigenValuesSym33, & math_eigenValuesVectorsSym33 @@ -1709,8 +1724,8 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) phase_plasticityInstance,& phaseAt, phasememberAt use lattice, only: & - lattice_Sslip_v, & - lattice_Stwin_v, & + lattice_Sslip, & + lattice_Stwin, & lattice_NslipSystem, & lattice_NtwinSystem, & lattice_shearTwin, & @@ -1744,13 +1759,16 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) real(pReal), dimension(3,3) :: eigVectors real(pReal), dimension (3) :: eigValues - type(tParameters) :: prm + real(pReal), dimension(3,3) :: & + S !< Second-Piola Kirchhoff stress + type(tParameters) :: prm !* Shortened notation of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) + S = math_Mandel6to33(Tstar_v) associate(prm => param(instance)) !* Total twin volume fraction @@ -1776,7 +1794,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = j + 1_pInt ! could be taken from state by now! !* Resolved shear stress on slip system - tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) + tau = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) !* Stress ratios if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios @@ -1817,7 +1835,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt plastic_dislotwin_postResults(c+j) =& - dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) + math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) enddo; enddo c = c + prm%totalNslip case (threshold_stress_slip_ID) @@ -1832,7 +1850,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = j + 1_pInt plastic_dislotwin_postResults(c+j) = & (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& - (16.0_pReal*pi*abs(dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)))) + (16.0_pReal*pi*abs(math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)))) plastic_dislotwin_postResults(c+j)=min(plastic_dislotwin_postResults(c+j),& state(instance)%mfp_slip(j,of)) ! plastic_dislotwin_postResults(c+j)=max(plastic_dislotwin_postResults(c+j),& @@ -1841,8 +1859,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) c = c + prm%totalNslip case (resolved_stress_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearband families - plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v, & - sbSv(1:6,j,ipc,ip,el)) + plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) enddo c = c + 6_pInt case (shear_rate_shearband_ID) @@ -1882,7 +1899,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = j + 1_pInt !* Resolved shear stress on slip system - tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) + tau = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) !* Stress ratios if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios @@ -1915,7 +1932,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) do i = 1,prm%Ntwin(f) ! process each (active) twin system in family j = j + 1_pInt - tau = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) + tau = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) !* Shear rates due to twin @@ -1960,7 +1977,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,prm%Ntwin(f) ! process each (active) slip system in family j = j + 1_pInt - plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v,lattice_Stwin_v(:,index_myFamily+i,ph)) + plastic_dislotwin_postResults(c+j) = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) enddo; enddo endif c = c + prm%totalNtwin @@ -1975,7 +1992,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) j = j + 1_pInt !* Resolved shear stress on slip system - tau = dot_product(Tstar_v,lattice_Sslip_v(:,1,index_myFamily+i,ph)) + tau = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& @@ -2016,10 +2033,10 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) enddo ; enddo c = c + prm%totalNslip case (sb_eigenvalues_ID) - plastic_dislotwin_postResults(c+1_pInt:c+3_pInt) = math_eigenvaluesSym33(math_Mandel6to33(Tstar_v)) + plastic_dislotwin_postResults(c+1_pInt:c+3_pInt) = math_eigenvaluesSym33(S) c = c + 3_pInt case (sb_eigenvectors_ID) - call math_eigenValuesVectorsSym33(math_Mandel6to33(Tstar_v),eigValues,eigVectors) + call math_eigenValuesVectorsSym33(S,eigValues,eigVectors) plastic_dislotwin_postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,[9]) c = c + 9_pInt case (stress_trans_fraction_ID) From 54fe0afb16de78814545aeac14fadd77cfd1fbd3 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 11:42:54 +0200 Subject: [PATCH 032/143] indentation wrong --- src/plastic_dislotwin.f90 | 620 +++++++++++++++++++------------------- 1 file changed, 310 insertions(+), 310 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 250506068..eb23dcb26 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -583,356 +583,356 @@ subroutine plastic_dislotwin_init(fileUnit) initializeInstances: do p = 1_pInt, size(phase_plasticity) - if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle - NofMyPhase=count(material_phase==p) - instance = phase_plasticityInstance(p) - prm => param(instance) + if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle + NofMyPhase=count(material_phase==p) + instance = phase_plasticityInstance(p) + prm => param(instance) !-------------------------------------------------------------------------------------------------- ! allocate state arrays - sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * prm%totalNslip & - + int(size(['twinFraction','accsheartwin']),pInt) * prm%totalNtwin & - + int(size(['stressTransFraction','strainTransFraction']),pInt) * prm%totalNtrans - sizeDeltaState = 0_pInt - sizeState = sizeDotState & - + int(size(['invLambdaSlip ','invLambdaSlipTwin ','invLambdaSlipTrans',& - 'meanFreePathSlip ','tauSlipThreshold ']),pInt) * prm%totalNslip & - + int(size(['invLambdaTwin ','meanFreePathTwin','tauTwinThreshold',& - 'twinVolume ']),pInt) * prm%totalNtwin & - + int(size(['invLambdaTrans ','meanFreePathTrans','tauTransThreshold', & - 'martensiteVolume ']),pInt) * prm%totalNtrans - - plasticState(p)%sizeState = sizeState - plasticState(p)%sizeDotState = sizeDotState - plasticState(p)%sizeDeltaState = sizeDeltaState - plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,instance)) - plasticState(p)%nSlip = prm%totalNslip - plasticState(p)%nTwin = prm%totalNtwin - plasticState(p)%nTrans= prm%totalNtrans - allocate(plasticState(p)%aTolState (sizeState), source=0.0_pReal) - allocate(plasticState(p)%state0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%state (sizeState,NofMyPhase), source=0.0_pReal) + sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * prm%totalNslip & + + int(size(['twinFraction','accsheartwin']),pInt) * prm%totalNtwin & + + int(size(['stressTransFraction','strainTransFraction']),pInt) * prm%totalNtrans + sizeDeltaState = 0_pInt + sizeState = sizeDotState & + + int(size(['invLambdaSlip ','invLambdaSlipTwin ','invLambdaSlipTrans',& + 'meanFreePathSlip ','tauSlipThreshold ']),pInt) * prm%totalNslip & + + int(size(['invLambdaTwin ','meanFreePathTwin','tauTwinThreshold',& + 'twinVolume ']),pInt) * prm%totalNtwin & + + int(size(['invLambdaTrans ','meanFreePathTrans','tauTransThreshold', & + 'martensiteVolume ']),pInt) * prm%totalNtrans + + plasticState(p)%sizeState = sizeState + plasticState(p)%sizeDotState = sizeDotState + plasticState(p)%sizeDeltaState = sizeDeltaState + plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,instance)) + plasticState(p)%nSlip = prm%totalNslip + plasticState(p)%nTwin = prm%totalNtwin + plasticState(p)%nTrans= prm%totalNtrans + allocate(plasticState(p)%aTolState (sizeState), source=0.0_pReal) + allocate(plasticState(p)%state0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%state (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 1_pInt)) then - allocate(plasticState(p)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) - endif - if (any(numerics_integrator == 4_pInt)) & - allocate(plasticState(p)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 5_pInt)) & - allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) - offset_slip = 2_pInt*plasticState(p)%nslip - plasticState(p)%slipRate => & - plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) - plasticState(p)%accumulatedSlip => & - plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) + allocate(plasticState(p)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) + if (any(numerics_integrator == 1_pInt)) then + allocate(plasticState(p)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) + endif + if (any(numerics_integrator == 4_pInt)) & + allocate(plasticState(p)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + if (any(numerics_integrator == 5_pInt)) & + allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) + offset_slip = 2_pInt*plasticState(p)%nslip + plasticState(p)%slipRate => & + plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) + plasticState(p)%accumulatedSlip => & + plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) - allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) - allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) - allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) + allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) + allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) + allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) - mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) - index_myFamily = sum(prm%Nslip(1:f-1_pInt)) + mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) + index_myFamily = sum(prm%Nslip(1:f-1_pInt)) - slipSystemsLoop: do j = 1_pInt,prm%Nslip(f) - do o = 1_pInt, size(prm%Nslip,1) - index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) - do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) - forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & - abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & - lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) - temp1(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_SlipSlip(lattice_interactionSlipSlip( & - sum(lattice_NslipSystem(1:f-1,p))+j, & - sum(lattice_NslipSystem(1:o-1,p))+k, & - p),1 ) - enddo; enddo + slipSystemsLoop: do j = 1_pInt,prm%Nslip(f) + do o = 1_pInt, size(prm%Nslip,1) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) + forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & + abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & + lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) + temp1(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_SlipSlip(lattice_interactionSlipSlip( & + sum(lattice_NslipSystem(1:f-1,p))+j, & + sum(lattice_NslipSystem(1:o-1,p))+k, & + p),1 ) + enddo; enddo - do o = 1_pInt,size(prm%Ntwin,1) - index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) - do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) - temp2(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_SlipTwin(lattice_interactionSlipTwin( & - sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & - sum(lattice_NtwinSystem(1:o-1_pInt,p))+k, & - p),1 ) - enddo; enddo + do o = 1_pInt,size(prm%Ntwin,1) + index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) + do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) + temp2(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_SlipTwin(lattice_interactionSlipTwin( & + sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtwinSystem(1:o-1_pInt,p))+k, & + p),1 ) + enddo; enddo - do o = 1_pInt,size(prm%Ntrans,1) - index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) - do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) - temp3(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_SlipTrans(lattice_interactionSlipTrans( & - sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & - sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & - p),1 ) - enddo; enddo + do o = 1_pInt,size(prm%Ntrans,1) + index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) + do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) + temp3(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_SlipTrans(lattice_interactionSlipTrans( & + sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & + p),1 ) + enddo; enddo - enddo slipSystemsLoop - enddo mySlipFamilies - prm%interaction_SlipSlip = temp1; deallocate(temp1) - prm%interaction_SlipTwin = temp2; deallocate(temp2) - prm%interaction_SlipTrans = temp3; deallocate(temp3) + enddo slipSystemsLoop + enddo mySlipFamilies + prm%interaction_SlipSlip = temp1; deallocate(temp1) + prm%interaction_SlipTwin = temp2; deallocate(temp2) + prm%interaction_SlipTrans = temp3; deallocate(temp3) - allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) - allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) - allocate(prm%Ctwin66(6,6,prm%totalNtwin), source=0.0_pReal) - if (allocated(Ctwin3333)) deallocate(Ctwin3333) - allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) + allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) + allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) + allocate(prm%Ctwin66(6,6,prm%totalNtwin), source=0.0_pReal) + if (allocated(Ctwin3333)) deallocate(Ctwin3333) + allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) - twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) - index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list - twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f) + twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) + index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list + twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f) - ! nucleation rate prefactor, - ! and twin size - !* Rotate twin elasticity matrices - index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list - do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt - do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - Ctwin3333(l,m,n,o,index_myFamily+j) = & - Ctwin3333(l,m,n,o,index_myFamily+j) + & - lattice_C3333(p1,q,r,s,p) * & - lattice_Qtwin(l,p1,index_otherFamily+j,p) * & - lattice_Qtwin(m,q,index_otherFamily+j,p) * & - lattice_Qtwin(n,r,index_otherFamily+j,p) * & - lattice_Qtwin(o,s,index_otherFamily+j,p) - enddo; enddo; enddo; enddo + ! nucleation rate prefactor, + ! and twin size + !* Rotate twin elasticity matrices + index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list + do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt + do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt + Ctwin3333(l,m,n,o,index_myFamily+j) = & + Ctwin3333(l,m,n,o,index_myFamily+j) + & + lattice_C3333(p1,q,r,s,p) * & + lattice_Qtwin(l,p1,index_otherFamily+j,p) * & + lattice_Qtwin(m,q,index_otherFamily+j,p) * & + lattice_Qtwin(n,r,index_otherFamily+j,p) * & + lattice_Qtwin(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo - prm%Ctwin66(1:6,1:6,index_myFamily+j) = & - math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) + enddo; enddo; enddo; enddo + prm%Ctwin66(1:6,1:6,index_myFamily+j) = & + math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) - !* Interaction matrices - do o = 1_pInt,size(prm%Nslip,1) - index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) - do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) - temp1(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_TwinSlip(lattice_interactionTwinSlip( & - sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, & - sum(lattice_NslipSystem(1:o-1_pInt,p))+k, & - p),1 ) - enddo; enddo + !* Interaction matrices + do o = 1_pInt,size(prm%Nslip,1) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) + temp1(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TwinSlip(lattice_interactionTwinSlip( & + sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, & + sum(lattice_NslipSystem(1:o-1_pInt,p))+k, & + p),1 ) + enddo; enddo - do o = 1_pInt,size(prm%Ntwin,1) - index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) - do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) - temp2(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_TwinTwin(lattice_interactionTwinTwin( & - sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, & - sum(lattice_NtwinSystem(1:o-1_pInt,p))+k, & - p),1 ) - enddo; enddo + do o = 1_pInt,size(prm%Ntwin,1) + index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) + do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) + temp2(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TwinTwin(lattice_interactionTwinTwin( & + sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtwinSystem(1:o-1_pInt,p))+k, & + p),1 ) + enddo; enddo - enddo twinSystemsLoop - enddo twinFamiliesLoop - prm%interaction_TwinSlip = temp1; deallocate(temp1) - prm%interaction_TwinTwin = temp2; deallocate(temp2) + enddo twinSystemsLoop + enddo twinFamiliesLoop + prm%interaction_TwinSlip = temp1; deallocate(temp1) + prm%interaction_TwinTwin = temp2; deallocate(temp2) - allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) - allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) - allocate(prm%Ctrans66(6,6,prm%totalNtrans) ,source=0.0_pReal) - if (allocated(Ctrans3333)) deallocate(Ctrans3333) - allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) + allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) + allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) + allocate(prm%Ctrans66(6,6,prm%totalNtrans) ,source=0.0_pReal) + if (allocated(Ctrans3333)) deallocate(Ctrans3333) + allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) - transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) - index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list - transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) + transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) + index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list + transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) - index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list - do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt - do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - Ctrans3333(l,m,n,o,index_myFamily+j) = & - Ctrans3333(l,m,n,o,index_myFamily+j) + & - lattice_trans_C3333(p1,q,r,s,p) * & - lattice_Qtrans(l,p1,index_otherFamily+j,p) * & - lattice_Qtrans(m,q,index_otherFamily+j,p) * & - lattice_Qtrans(n,r,index_otherFamily+j,p) * & - lattice_Qtrans(o,s,index_otherFamily+j,p) - enddo; enddo; enddo; enddo + index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list + do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt + do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt + Ctrans3333(l,m,n,o,index_myFamily+j) = & + Ctrans3333(l,m,n,o,index_myFamily+j) + & + lattice_trans_C3333(p1,q,r,s,p) * & + lattice_Qtrans(l,p1,index_otherFamily+j,p) * & + lattice_Qtrans(m,q,index_otherFamily+j,p) * & + lattice_Qtrans(n,r,index_otherFamily+j,p) * & + lattice_Qtrans(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo - prm%Ctrans66(1:6,1:6,index_myFamily+j) = & - math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) + enddo; enddo; enddo; enddo + prm%Ctrans66(1:6,1:6,index_myFamily+j) = & + math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) - !* Interaction matrices - do o = 1_pInt,size(prm%Nslip,1) - index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) - do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) - temp1(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_TransSlip(lattice_interactionTransSlip( & - sum(lattice_NtransSystem(1:f-1_pInt,p))+j, & - sum(lattice_NslipSystem(1:o-1_pInt,p))+k, & - p) ,1 ) - enddo; enddo + !* Interaction matrices + do o = 1_pInt,size(prm%Nslip,1) + index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) + temp1(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TransSlip(lattice_interactionTransSlip( & + sum(lattice_NtransSystem(1:f-1_pInt,p))+j, & + sum(lattice_NslipSystem(1:o-1_pInt,p))+k, & + p) ,1 ) + enddo; enddo - do o = 1_pInt,size(prm%Ntrans,1) - index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) - do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) - temp2(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_TransTrans(lattice_interactionTransTrans( & - sum(lattice_NtransSystem(1:f-1_pInt,p))+j, & - sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & - p),1 ) - enddo; enddo + do o = 1_pInt,size(prm%Ntrans,1) + index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) + do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) + temp2(index_myFamily+j,index_otherFamily+k) = & + prm%interaction_TransTrans(lattice_interactionTransTrans( & + sum(lattice_NtransSystem(1:f-1_pInt,p))+j, & + sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & + p),1 ) + enddo; enddo - !* Projection matrices for shear from slip systems to fault-band (twin) systems for strain-induced martensite nucleation - ! select case(trans_lattice_structure(p)) - ! case (LATTICE_bcc_ID) - ! do o = 1_pInt,sum(prm%Ntrans,1) - ! index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) - ! do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (trans) - ! temp3(index_myFamily+j,index_otherFamily+k) = & - ! lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,p))+j, & - ! sum(lattice_NslipSystem(1:o-1,p))+k, p) - ! enddo; enddo - ! end select + !* Projection matrices for shear from slip systems to fault-band (twin) systems for strain-induced martensite nucleation + ! select case(trans_lattice_structure(p)) + ! case (LATTICE_bcc_ID) + ! do o = 1_pInt,sum(prm%Ntrans,1) + ! index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) + ! do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (trans) + ! temp3(index_myFamily+j,index_otherFamily+k) = & + ! lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,p))+j, & + ! sum(lattice_NslipSystem(1:o-1,p))+k, p) + ! enddo; enddo + ! end select - enddo transSystemsLoop - enddo transFamiliesLoop + enddo transSystemsLoop + enddo transFamiliesLoop - - prm%interaction_TransSlip = temp1; deallocate(temp1) - prm%interaction_TransTrans = temp2; deallocate(temp2) + + prm%interaction_TransSlip = temp1; deallocate(temp1) + prm%interaction_TransTrans = temp2; deallocate(temp2) - startIndex=1_pInt - endIndex=prm%totalNslip - state(instance)%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho + startIndex=1_pInt + endIndex=prm%totalNslip + state(instance)%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - state(instance)%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - state(instance)%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - state(instance)%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - state(instance)%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - state(instance)%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - state(instance)%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - state(instance)%invLambdaSlip=>plasticState(p)%state(startIndex:endIndex,:) - invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) - forall (i = 1_pInt:prm%totalNslip) & - invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & - math_expand(prm%rhoDip0,prm%Nslip),forestProjectionEdge(1:prm%totalNslip,i,instance)))/ & - prm%CLambdaSlipPerSlipSystem(i) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - state(instance)%invLambdaSlipTwin=>plasticState(p)%state(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + state(instance)%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + state(instance)%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtwin + state(instance)%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtwin + state(instance)%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtrans + state(instance)%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtrans + state(instance)%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) + dotState(instance)%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + state(instance)%invLambdaSlip=>plasticState(p)%state(startIndex:endIndex,:) + invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) + forall (i = 1_pInt:prm%totalNslip) & + invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & + math_expand(prm%rhoDip0,prm%Nslip),forestProjectionEdge(1:prm%totalNslip,i,instance)))/ & + prm%CLambdaSlipPerSlipSystem(i) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + state(instance)%invLambdaSlipTwin=>plasticState(p)%state(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - state(instance)%invLambdaTwin=>plasticState(p)%state(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtwin + state(instance)%invLambdaTwin=>plasticState(p)%state(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - state(instance)%invLambdaSlipTrans=>plasticState(p)%state(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + state(instance)%invLambdaSlipTrans=>plasticState(p)%state(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - state(instance)%invLambdaTrans=>plasticState(p)%state(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtrans + state(instance)%invLambdaTrans=>plasticState(p)%state(startIndex:endIndex,:) + plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - state(instance)%mfp_slip=>plasticState(p)%state(startIndex:endIndex,:) - MeanFreePathSlip0 = prm%GrainSize/(1.0_pReal+invLambdaSlip0*prm%GrainSize) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - state(instance)%mfp_twin=>plasticState(p)%state(startIndex:endIndex,:) - MeanFreePathTwin0 = spread(prm%GrainSize,1,prm%totalNtwin) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + state(instance)%mfp_slip=>plasticState(p)%state(startIndex:endIndex,:) + MeanFreePathSlip0 = prm%GrainSize/(1.0_pReal+invLambdaSlip0*prm%GrainSize) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) + + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtwin + state(instance)%mfp_twin=>plasticState(p)%state(startIndex:endIndex,:) + MeanFreePathTwin0 = spread(prm%GrainSize,1,prm%totalNtwin) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - state(instance)%mfp_trans=>plasticState(p)%state(startIndex:endIndex,:) - MeanFreePathTrans0 = spread(prm%GrainSize,1,prm%totalNtrans) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtrans + state(instance)%mfp_trans=>plasticState(p)%state(startIndex:endIndex,:) + MeanFreePathTrans0 = spread(prm%GrainSize,1,prm%totalNtrans) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - state(instance)%threshold_stress_slip=>plasticState(p)%state(startIndex:endIndex,:) - tauSlipThreshold0 = spread(0.0_pReal,1,prm%totalNslip) - forall (i = 1_pInt:prm%totalNslip) tauSlipThreshold0(i) = & - lattice_mu(p)*prm%burgers_slip(i) * & - sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,prm%Nslip),& - prm%interaction_SlipSlip(i,1:prm%totalNslip))) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(tauSlipThreshold0,prm%Nslip),2, NofMyPhase) + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNslip + state(instance)%threshold_stress_slip=>plasticState(p)%state(startIndex:endIndex,:) + tauSlipThreshold0 = spread(0.0_pReal,1,prm%totalNslip) + forall (i = 1_pInt:prm%totalNslip) tauSlipThreshold0(i) = & + lattice_mu(p)*prm%burgers_slip(i) * & + sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,prm%Nslip),& + prm%interaction_SlipSlip(i,1:prm%totalNslip))) + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(tauSlipThreshold0,prm%Nslip),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - state(instance)%threshold_stress_twin=>plasticState(p)%state(startIndex:endIndex,:) + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtwin + state(instance)%threshold_stress_twin=>plasticState(p)%state(startIndex:endIndex,:) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - state(instance)%threshold_stress_trans=>plasticState(p)%state(startIndex:endIndex,:) + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtrans + state(instance)%threshold_stress_trans=>plasticState(p)%state(startIndex:endIndex,:) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - state(instance)%twinVolume=>plasticState(p)%state(startIndex:endIndex,:) - TwinVolume0= spread(0.0_pReal,1,prm%totalNtwin) - forall (i = 1_pInt:prm%totalNtwin) TwinVolume0(i) = & - (PI/4.0_pReal)*prm%twinsize(i)*MeanFreePathTwin0(i)**2.0_pReal - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(TwinVolume0,prm%Ntwin),2, NofMyPhase) + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtwin + state(instance)%twinVolume=>plasticState(p)%state(startIndex:endIndex,:) + TwinVolume0= spread(0.0_pReal,1,prm%totalNtwin) + forall (i = 1_pInt:prm%totalNtwin) TwinVolume0(i) = & + (PI/4.0_pReal)*prm%twinsize(i)*MeanFreePathTwin0(i)**2.0_pReal + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(TwinVolume0,prm%Ntwin),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - state(instance)%martensiteVolume=>plasticState(p)%state(startIndex:endIndex,:) - MartensiteVolume0= spread(0.0_pReal,1,prm%totalNtrans) - forall (i = 1_pInt:prm%totalNtrans) MartensiteVolume0(i) = & - (PI/4.0_pReal)*prm%lamellarsizePerTransSystem(i)*MeanFreePathTrans0(i)**2.0_pReal - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) + startIndex=endIndex+1 + endIndex=endIndex+prm%totalNtrans + state(instance)%martensiteVolume=>plasticState(p)%state(startIndex:endIndex,:) + MartensiteVolume0= spread(0.0_pReal,1,prm%totalNtrans) + forall (i = 1_pInt:prm%totalNtrans) MartensiteVolume0(i) = & + (PI/4.0_pReal)*prm%lamellarsizePerTransSystem(i)*MeanFreePathTrans0(i)**2.0_pReal + plasticState(p)%state0(startIndex:endIndex,:) = & + spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) enddo initializeInstances From c9bb0512613360400fdacb8fc3092b3bfc93c3b9 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 11:52:43 +0200 Subject: [PATCH 033/143] fill local Schmid Matrices --- src/plastic_dislotwin.f90 | 33 +++++++++++++++++++++------------ 1 file changed, 21 insertions(+), 12 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index eb23dcb26..16bf87e95 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -634,11 +634,14 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) - + allocate(prm%Schmid_slip(3,3,prm%totalNslip),source = 0.0_pReal) + i = 0_pInt mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) index_myFamily = sum(prm%Nslip(1:f-1_pInt)) slipSystemsLoop: do j = 1_pInt,prm%Nslip(f) + i = i + 1_pInt + prm%Schmid_slip(1:3,1:3,i) = lattice_Sslip(1:3,1:3,1,sum(lattice_Nslipsystem(1:f-1,p))+j,p) do o = 1_pInt, size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) @@ -684,11 +687,15 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(prm%Ctwin66(6,6,prm%totalNtwin), source=0.0_pReal) if (allocated(Ctwin3333)) deallocate(Ctwin3333) allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) - + allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal) + allocate(prm%shear_twin(prm%totalNtwin),source = 0.0_pReal) + i = 0_pInt twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f) - + i = i + 1_pInt + prm%Schmid_twin(1:3,1:3,i) = lattice_Stwin(1:3,1:3,sum(lattice_NTwinsystem(1:f-1,p))+j,p) + prm%shear_twin(i) = lattice_shearTwin(sum(lattice_Ntwinsystem(1:f-1,p))+j,p) ! nucleation rate prefactor, ! and twin size !* Rotate twin elasticity matrices @@ -739,21 +746,23 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(prm%Ctrans66(6,6,prm%totalNtrans) ,source=0.0_pReal) if (allocated(Ctrans3333)) deallocate(Ctrans3333) allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) - + allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal) + i = 0_pInt transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) - - index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list + i = i + 1_pInt + prm%Schmid_trans(1:3,1:3,i) = lattice_Strans(1:3,1:3,sum(lattice_Ntranssystem(1:f-1,p))+j,p) + index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt Ctrans3333(l,m,n,o,index_myFamily+j) = & - Ctrans3333(l,m,n,o,index_myFamily+j) + & - lattice_trans_C3333(p1,q,r,s,p) * & - lattice_Qtrans(l,p1,index_otherFamily+j,p) * & - lattice_Qtrans(m,q,index_otherFamily+j,p) * & - lattice_Qtrans(n,r,index_otherFamily+j,p) * & - lattice_Qtrans(o,s,index_otherFamily+j,p) + Ctrans3333(l,m,n,o,index_myFamily+j) + & + lattice_trans_C3333(p1,q,r,s,p) * & + lattice_Qtrans(l,p1,index_otherFamily+j,p) * & + lattice_Qtrans(m,q,index_otherFamily+j,p) * & + lattice_Qtrans(n,r,index_otherFamily+j,p) * & + lattice_Qtrans(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo prm%Ctrans66(1:6,1:6,index_myFamily+j) = & From 3431086fdb848e94725726e7b2ba4887b72e12fd Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 13:14:16 +0200 Subject: [PATCH 034/143] storing data per slip system simplifies calculation --- src/plastic_dislotwin.f90 | 49 +++++++++++++++++++++------------------ 1 file changed, 26 insertions(+), 23 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 16bf87e95..3a42ac3ac 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -111,7 +111,8 @@ module plastic_dislotwin p, & !< p-exponent in glide velocity q, & !< q-exponent in glide velocity r, & !< r-exponent in twin nucleation rate - s !< s-exponent in trans nucleation rate + s, & !< s-exponent in trans nucleation rate + shear_twin !< characteristic shear for twins real(pReal), dimension(:,:), allocatable, private :: & interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance @@ -575,7 +576,9 @@ subroutine plastic_dislotwin_init(fileUnit) if (prm%sbVelocity > 0.0_pReal .and. & prm%qShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') - + + prm%p = math_expand(prm%p,prm%Nslip) + prm%q = math_expand(prm%q,prm%Nslip) enddo allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal) @@ -1259,8 +1262,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) - StressRatio_p = stressRatio** prm%p(f) - StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) + StressRatio_p = stressRatio** prm%p(j) + StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates @@ -1270,15 +1273,15 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !* Shear rates due to slip gdot_slip(j) = DotGamma0 & - * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(f)) & + * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & * sign(1.0_pReal,tau_slip(j)) !* Derivatives of shear rates dgdot_dtauslip(j) = & - abs(gdot_slip(j))*BoltzmannRatio*prm%p(f)& - *prm%q(f)/& + abs(gdot_slip(j))*BoltzmannRatio*prm%p(j)& + *prm%q(j)/& (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))*& - StressRatio_pminus1*(1-StressRatio_p)**(prm%q(f)-1.0_pReal) + StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) endif !* Plastic velocity gradient for dislocation glide @@ -1560,8 +1563,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) - StressRatio_p = stressRatio** prm%p(f) - StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) + StressRatio_p = stressRatio** prm%p(j) + StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates @@ -1569,7 +1572,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & - prm%q(f))*sign(1.0_pReal,tau_slip(j)) + prm%q(j))*sign(1.0_pReal,tau_slip(j)) endif !* Multiplication DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) @@ -1810,8 +1813,8 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f))) - StressRatio_p = stressRatio** prm%p(f) - StressRatio_pminus1 = stressRatio**(prm%p(f)-1.0_pReal) + StressRatio_p = stressRatio** prm%p(j) + StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates @@ -1822,7 +1825,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Shear rates due to slip plastic_dislotwin_postResults(c+j) = & DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%q(f))*sign(1.0_pReal,tau) + prm%q(j))*sign(1.0_pReal,tau) else plastic_dislotwin_postResults(c+j) = 0.0_pReal endif @@ -1915,11 +1918,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& - **prm%p(f) + **prm%p(j) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& - **(prm%p(f)-1.0_pReal) + **(prm%p(j)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates @@ -1929,7 +1932,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%q(f))*sign(1.0_pReal,tau) + prm%q(j))*sign(1.0_pReal,tau) else gdot_slip(j) = 0.0_pReal endif @@ -2007,11 +2010,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& - **prm%p(f) + **prm%p(j) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f)))& - **(prm%p(f)-1.0_pReal) + **(prm%p(j)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates @@ -2021,15 +2024,15 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Shear rates due to slip gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%q(f))*sign(1.0_pReal,tau) + prm%q(j))*sign(1.0_pReal,tau) !* Derivatives of shear rates dgdot_dtauslip = & - abs(gdot_slip(j))*BoltzmannRatio*prm%p(f)& - *prm%q(f)/& + abs(gdot_slip(j))*BoltzmannRatio*prm%p(j)& + *prm%q(j)/& (prm%SolidSolutionStrength+& prm%tau_peierlsPerSlipFamily(f))*& - StressRatio_pminus1*(1-StressRatio_p)**(prm%q(f)-1.0_pReal) + StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) else gdot_slip(j) = 0.0_pReal From ba65044ff521a4c5d16d5051767d3ee4a7385817 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 13:19:28 +0200 Subject: [PATCH 035/143] looping over systems simplifies loop structure --- src/plastic_dislotwin.f90 | 23 ++++++++++++----------- 1 file changed, 12 insertions(+), 11 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 3a42ac3ac..d1113daac 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -102,7 +102,7 @@ module plastic_dislotwin burgers_trans, & !< absolute length of burgers vector [m] for each twin family and instance Qedge,& !< activation energy for glide [J] for each slip system and instance v0, & !dislocation velocity prefactor [m/s] for each slip system and instance - tau_peierlsPerSlipFamily,& !< Peierls stress [Pa] for each family and instance + tau_peierls,& !< Peierls stress [Pa] for each family and instance Ndot0_twin, & !< twin nucleation rate [1/m³s] for each twin system and instance Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system and instance twinsize, & !< twin thickness [m] for each twin system and instance @@ -317,7 +317,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%CLambdaSlipPerSlipSystem = config_phase(p)%getFloats('clambdaslip') prm%CLambdaSlipPerSlipSystem= math_expand(prm%CLambdaSlipPerSlipSystem,prm%Nslip) - prm%tau_peierlsPerSlipFamily = config_phase(p)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) + prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) prm%p = config_phase(p)%getFloats('p_slip') prm%q = config_phase(p)%getFloats('q_slip') @@ -579,6 +579,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%p = math_expand(prm%p,prm%Nslip) prm%q = math_expand(prm%q,prm%Nslip) + prm%tau_peierls = math_expand(prm%tau_peierls,prm%Nslip) enddo allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal) @@ -1261,7 +1262,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) + (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) !* Boltzmann ratio @@ -1280,7 +1281,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dgdot_dtauslip(j) = & abs(gdot_slip(j))*BoltzmannRatio*prm%p(j)& *prm%q(j)/& - (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))*& + (prm%SolidSolutionStrength+prm%tau_peierls(j))*& StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) endif @@ -1562,7 +1563,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+prm%tau_peierlsPerSlipFamily(f))) + (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) !* Boltzmann ratio @@ -1812,7 +1813,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& - prm%tau_peierlsPerSlipFamily(f))) + prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) !* Boltzmann ratio @@ -1917,11 +1918,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& - prm%tau_peierlsPerSlipFamily(f)))& + prm%tau_peierls(j)))& **prm%p(j) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& - prm%tau_peierlsPerSlipFamily(f)))& + prm%tau_peierls(j)))& **(prm%p(j)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) @@ -2009,11 +2010,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Stress ratios StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& - prm%tau_peierlsPerSlipFamily(f)))& + prm%tau_peierls(j)))& **prm%p(j) StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& - prm%tau_peierlsPerSlipFamily(f)))& + prm%tau_peierls(j)))& **(prm%p(j)-1.0_pReal) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) @@ -2031,7 +2032,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) abs(gdot_slip(j))*BoltzmannRatio*prm%p(j)& *prm%q(j)/& (prm%SolidSolutionStrength+& - prm%tau_peierlsPerSlipFamily(f))*& + prm%tau_peierls(j))*& StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) else From 42745c66f03a78e858fdf425853b16bf25c29ea0 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 13:32:24 +0200 Subject: [PATCH 036/143] nested loops do not improve readability --- src/plastic_dislotwin.f90 | 66 ++++++++++----------------------------- 1 file changed, 16 insertions(+), 50 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index d1113daac..c22133ead 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1171,10 +1171,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature phase_plasticityInstance, & phaseAt, phasememberAt use lattice, only: & - lattice_Sslip, & - lattice_Sslip_v, & - lattice_Stwin, & - lattice_Stwin_v, & lattice_Strans, & lattice_Strans_v, & lattice_maxNslipFamily,& @@ -1249,53 +1245,34 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature ! Dislocation glide part gdot_slip = 0.0_pReal dgdot_dtauslip = 0.0_pReal - j = 0_pInt - slipFamiliesLoop: do f = 1_pInt,size(prm%Nslip,1) - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - slipSystemsLoop: do i = 1_pInt,prm%Nslip(f) - j = j+1_pInt - - !* Calculation of Lp - !* Resolved shear stress on slip system - tau_slip(j) = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) + slipSystems: do j = 1_pInt, prm%totalNslip + + tau_slip(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) - !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates - DotGamma0 = & - state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)*& - prm%v0(j) + DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) !* Shear rates due to slip - gdot_slip(j) = DotGamma0 & - * exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q(j)) & - * sign(1.0_pReal,tau_slip(j)) + gdot_slip(j) = DotGamma0 *sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau_slip(j)) !* Derivatives of shear rates - dgdot_dtauslip(j) = & - abs(gdot_slip(j))*BoltzmannRatio*prm%p(j)& - *prm%q(j)/& - (prm%SolidSolutionStrength+prm%tau_peierls(j))*& - StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) + dgdot_dtauslip(j) = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & + / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & + * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) endif - !* Plastic velocity gradient for dislocation glide - Lp = Lp + gdot_slip(j)*lattice_Sslip(:,:,1,index_myFamily+i,ph) + Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j) - !* Calculation of the tangent of Lp forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtauslip(j)*& - lattice_Sslip(k,l,1,index_myFamily+i,ph)*& - lattice_Sslip(m,n,1,index_myFamily+i,ph) - enddo slipSystemsLoop - enddo slipFamiliesLoop + dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & + + dgdot_dtauslip(j) * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) + enddo slipSystems !-------------------------------------------------------------------------------------------------- ! correct Lp and dLp_dTstar3333 for twinned and transformed fraction @@ -1335,7 +1312,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature **(prm%pShearBand-1.0_pReal) endif - !* Boltzmann ratio BoltzmannRatio = prm%sbQedge/(kB*Temperature) !* Initial shear rates DotGamma0 = prm%sbVelocity @@ -1351,10 +1327,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature prm%sbResistance)*& StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) - !* Plastic velocity gradient for shear banding Lp = Lp + gdot_sb(j)*sb_Smatrix - !* Calculation of the tangent of Lp forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dTstar3333(k,l,m,n) = & dLp_dTstar3333(k,l,m,n) + dgdot_dtausb(j)*& @@ -1363,8 +1337,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature enddo end if -!-------------------------------------------------------------------------------------------------- -! Mechanical twinning part gdot_twin = 0.0_pReal dgdot_dtautwin = 0.0_pReal j = 0_pInt @@ -1373,9 +1345,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature twinSystemsLoop: do i = 1_pInt,prm%Ntwin(f) j = j+1_pInt - !* Calculation of Lp - !* Resolved shear stress on twin system - tau_twin(j) = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) + tau_twin(j) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) !* Stress ratios if (tau_twin(j) > tol_math_check) then @@ -1403,14 +1373,10 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dgdot_dtautwin(j) = ((gdot_twin(j)*prm%r(j))/tau_twin(j))*StressRatio_r endif - !* Plastic velocity gradient for mechanical twinning - Lp = Lp + gdot_twin(j)*lattice_Stwin(:,:,index_myFamily+i,ph) - !* Calculation of the tangent of Lp + Lp = Lp + gdot_twin(j)*prm%Schmid_twin(1:3,1:3,j) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtautwin(j)*& - lattice_Stwin(k,l,index_myFamily+i,ph)*& - lattice_Stwin(m,n,index_myFamily+i,ph) + dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & + + dgdot_dtautwin(j)* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) enddo twinSystemsLoop enddo twinFamiliesLoop From dc91016729c8a57e02eb5ccb8ab89a0c276bd6c5 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 13:38:07 +0200 Subject: [PATCH 037/143] simpler loop structures for better readability --- src/plastic_dislotwin.f90 | 60 +++++++++++++++++---------------------- 1 file changed, 26 insertions(+), 34 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index c22133ead..f12f3547c 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1247,31 +1247,31 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dgdot_dtauslip = 0.0_pReal slipSystems: do j = 1_pInt, prm%totalNslip - tau_slip(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + tau_slip(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+prm%tau_peierls(j))) - StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) + if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+prm%tau_peierls(j))) + StressRatio_p = stressRatio** prm%p(j) + StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + !* Initial shear rates + DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - !* Shear rates due to slip - gdot_slip(j) = DotGamma0 *sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau_slip(j)) + !* Shear rates due to slip + gdot_slip(j) = DotGamma0 *sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau_slip(j)) - !* Derivatives of shear rates - dgdot_dtauslip(j) = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & - / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & - * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) - endif + !* Derivatives of shear rates + dgdot_dtauslip(j) = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & + / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & + * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) + endif - Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j) + Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & - + dgdot_dtauslip(j) * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & + + dgdot_dtauslip(j) * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) enddo slipSystems !-------------------------------------------------------------------------------------------------- @@ -1330,10 +1330,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Lp = Lp + gdot_sb(j)*sb_Smatrix forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtausb(j)*& - sb_Smatrix(k,l)*& - sb_Smatrix(m,n) + dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & + + dgdot_dtausb(j)* sb_Smatrix(k,l) * sb_Smatrix(m,n) enddo end if @@ -1517,14 +1515,9 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Dislocation density evolution gdot_slip = 0.0_pReal - j = 0_pInt - do f = 1_pInt,size(prm%Nslip,1) - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family - j = j+1_pInt - + slipSystems: do j = 1_pInt, prm%totalNslip !* Resolved shear stress on slip system - tau_slip(j) = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) + tau_slip(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios @@ -1595,8 +1588,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Dotstate for accumulated shear due to slip dotState(instance)%accshear_slip(j,of) = abs(gdot_slip(j)) - enddo - enddo + enddo slipSystems !* Twin volume fraction evolution j = 0_pInt @@ -1606,7 +1598,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) j = j+1_pInt !* Resolved shear stress on twin system - tau_twin(j) = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) + tau_twin(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) !* Stress ratios if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& From 60e60e211c92c12ed0e68679a4cd46f05ce137b8 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 14:33:42 +0200 Subject: [PATCH 038/143] also simplifying twin loops --- src/plastic_dislotwin.f90 | 176 +++++++++++++++++++------------------- 1 file changed, 86 insertions(+), 90 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index f12f3547c..f352c8d28 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -112,7 +112,7 @@ module plastic_dislotwin q, & !< q-exponent in glide velocity r, & !< r-exponent in twin nucleation rate s, & !< s-exponent in trans nucleation rate - shear_twin !< characteristic shear for twins + shear_twin !< characteristic shear for twins real(pReal), dimension(:,:), allocatable, private :: & interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance @@ -120,7 +120,8 @@ module plastic_dislotwin interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance - interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance + interaction_TransTrans, & !< coefficients for trans-trans interaction for each interaction type and instance + fcc_twinNucleationSlipPair real(pReal), dimension(:,:,:), allocatable :: & Schmid_trans, & Schmid_slip, & @@ -264,7 +265,7 @@ subroutine plastic_dislotwin_init(fileUnit) write(6,'(/,a)') ' F.Roters et al., Computational Materials Science, 39:91–95, 2007' write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014' write(6,'(/,a)') ' Wong et al., Acta Materialia, 118:140–151, 2016' - write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032' + write(6,'(a,/)') ' https://doi.org/10.1016/j.actamat.2016.07.032' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" @@ -692,6 +693,8 @@ subroutine plastic_dislotwin_init(fileUnit) if (allocated(Ctwin3333)) deallocate(Ctwin3333) allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal) + if (lattice_structure(p) == LATTICE_fcc_ID) & + allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0.0_pReal) allocate(prm%shear_twin(prm%totalNtwin),source = 0.0_pReal) i = 0_pInt twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) @@ -700,8 +703,8 @@ subroutine plastic_dislotwin_init(fileUnit) i = i + 1_pInt prm%Schmid_twin(1:3,1:3,i) = lattice_Stwin(1:3,1:3,sum(lattice_NTwinsystem(1:f-1,p))+j,p) prm%shear_twin(i) = lattice_shearTwin(sum(lattice_Ntwinsystem(1:f-1,p))+j,p) - ! nucleation rate prefactor, - ! and twin size + if (lattice_structure(p) == LATTICE_fcc_ID) prm%fcc_twinNucleationSlipPair(1:2,i) = & + lattice_fcc_twinNucleationSlipPair(1:2,sum(lattice_Ntwinsystem(1:f-1,p))+j) !* Rotate twin elasticity matrices index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt @@ -1179,9 +1182,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature lattice_NslipSystem, & lattice_NtwinSystem, & lattice_NtransSystem, & - lattice_shearTwin, & lattice_structure, & - lattice_fcc_twinNucleationSlipPair, & LATTICE_fcc_ID implicit none @@ -1349,24 +1350,23 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**prm%r(f) !* Shear rates and their derivatives due to twin - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) - if (tau_twin(j) < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (prm%L0_twin*prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau_twin(j)))) - else - Ndot0_twin=0.0_pReal - end if - case default - Ndot0_twin=prm%Ndot0_twin(j) - end select + if (lattice_structure(ph) == LATTICE_FCC_ID) then + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) + if (tau_twin(j) < tau_r_twin(j,instance)) then + Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? + abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& + (prm%L0_twin*prm%burgers_slip(j))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (tau_r_twin(j,instance)-tau_twin(j)))) + else + Ndot0_twin=0.0_pReal + end if + else + Ndot0_twin=prm%Ndot0_twin(j) + endif gdot_twin(j) = & - (1.0_pReal-sumf-sumftr)*lattice_shearTwin(index_myFamily+i,ph)*& + (1.0_pReal-sumf-sumftr)*prm%shear_twin(j)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) dgdot_dtautwin(j) = ((gdot_twin(j)*prm%r(j))/tau_twin(j))*StressRatio_r endif @@ -1396,8 +1396,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !* Shear rates and their derivatives due to transformation select case(lattice_structure(ph)) case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& @@ -1516,77 +1516,74 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Dislocation density evolution gdot_slip = 0.0_pReal slipSystems: do j = 1_pInt, prm%totalNslip - !* Resolved shear stress on slip system - tau_slip(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + tau_slip(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+prm%tau_peierls(j))) - StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = plasticState(ph)%state(j, of)*prm%burgers_slip(j)*prm%v0(j) + if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+prm%tau_peierls(j))) + StressRatio_p = stressRatio** prm%p(j) + StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + !* Initial shear rates + DotGamma0 = plasticState(ph)%state(j, of)*prm%burgers_slip(j)*prm%v0(j) - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & - prm%q(j))*sign(1.0_pReal,tau_slip(j)) - endif - !* Multiplication - DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) + !* Shear rates due to slip + gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & + prm%q(j))*sign(1.0_pReal,tau_slip(j)) + endif + !* Multiplication + DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) - !* Dipole formation - EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(j) - if (dEq0(tau_slip(j))) then - DotRhoDipFormation = 0.0_pReal - else - EdgeDipDistance = & - (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& - (16.0_pReal*pi*abs(tau_slip(j))) - if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) - if (EdgeDipDistancestate(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) + if (EdgeDipDistance Date: Fri, 31 Aug 2018 14:54:33 +0200 Subject: [PATCH 039/143] more loops simplified --- src/plastic_dislotwin.f90 | 141 +++++++++++++++----------------------- 1 file changed, 55 insertions(+), 86 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index f352c8d28..b8dce21b0 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1174,14 +1174,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature phase_plasticityInstance, & phaseAt, phasememberAt use lattice, only: & - lattice_Strans, & - lattice_Strans_v, & - lattice_maxNslipFamily,& - lattice_maxNtwinFamily, & - lattice_maxNtransFamily, & - lattice_NslipSystem, & - lattice_NtwinSystem, & - lattice_NtransSystem, & lattice_structure, & LATTICE_fcc_ID @@ -1338,66 +1330,55 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature gdot_twin = 0.0_pReal dgdot_dtautwin = 0.0_pReal - j = 0_pInt - twinFamiliesLoop: do f = 1_pInt,size(prm%Ntwin,1) - index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - twinSystemsLoop: do i = 1_pInt,prm%Ntwin(f) - j = j+1_pInt - - tau_twin(j) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) - !* Stress ratios - if (tau_twin(j) > tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**prm%r(f) - !* Shear rates and their derivatives due to twin - if (lattice_structure(ph) == LATTICE_FCC_ID) then - s1=prm%fcc_twinNucleationSlipPair(1,j) - s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_twin(j) < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (prm%L0_twin*prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau_twin(j)))) - else - Ndot0_twin=0.0_pReal - end if - else - Ndot0_twin=prm%Ndot0_twin(j) - endif - gdot_twin(j) = & - (1.0_pReal-sumf-sumftr)*prm%shear_twin(j)*& - state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dgdot_dtautwin(j) = ((gdot_twin(j)*prm%r(j))/tau_twin(j))*StressRatio_r - endif + twinSystems: do j = 1_pInt, prm%totalNtwin - Lp = Lp + gdot_twin(j)*prm%Schmid_twin(1:3,1:3,j) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & - + dgdot_dtautwin(j)* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) - enddo twinSystemsLoop - enddo twinFamiliesLoop + tau_twin(j) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + + if (tau_twin(j) > tol_math_check) then + StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**prm%r(f) + !* Shear rates and their derivatives due to twin + if (lattice_structure(ph) == LATTICE_FCC_ID) then + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) + if (tau_twin(j) < tau_r_twin(j,instance)) then + Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? + abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& + (prm%L0_twin*prm%burgers_slip(j))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (tau_r_twin(j,instance)-tau_twin(j)))) + else + Ndot0_twin=0.0_pReal + end if + else + Ndot0_twin=prm%Ndot0_twin(j) + endif + gdot_twin(j) = & + (1.0_pReal-sumf-sumftr)*prm%shear_twin(j)*& + state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) + dgdot_dtautwin(j) = ((gdot_twin(j)*prm%r(j))/tau_twin(j))*StressRatio_r + endif + + Lp = Lp + gdot_twin(j)*prm%Schmid_twin(1:3,1:3,j) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & + + dgdot_dtautwin(j)* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) + enddo twinSystems !* Phase transformation part gdot_trans = 0.0_pReal dgdot_dtautrans = 0.0_pReal j = 0_pInt - transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) - index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - transSystemsLoop: do i = 1_pInt,prm%Ntrans(f) - j = j+1_pInt - - !* Resolved shear stress on transformation system - tau_trans(j) = math_mul33xx33(S,lattice_Strans(1:3,1:3,index_myFamily+i,ph)) + transSystems: do j = 1_pInt, prm%totalNtrans + tau_trans(j) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) !* Stress ratios if (tau_trans(j) > tol_math_check) then StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**prm%s(f) !* Shear rates and their derivatives due to transformation - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=prm%fcc_twinNucleationSlipPair(1,j) - s2=prm%fcc_twinNucleationSlipPair(2,j) + if (lattice_structure(ph) == LATTICE_FCC_ID) then + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& @@ -1407,9 +1388,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature else Ndot0_trans=0.0_pReal end if - case default + else Ndot0_trans=prm%Ndot0_trans(j) - end select + endif gdot_trans(j) = & (1.0_pReal-sumf-sumftr)*& state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) @@ -1417,17 +1398,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature endif !* Plastic velocity gradient for phase transformation - Lp = Lp + gdot_trans(j)*lattice_Strans(:,:,index_myFamily+i,ph) + Lp = Lp + gdot_trans(j)*prm%Schmid_trans(1:3,1:3,j) !* Calculation of the tangent of Lp forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = & - dLp_dTstar3333(k,l,m,n) + dgdot_dtautrans(j)*& - lattice_Strans(k,l,index_myFamily+i,ph)*& - lattice_Strans(m,n,index_myFamily+i,ph) + dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & + + dgdot_dtautrans(j) * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j) - enddo transSystemsLoop - enddo transFamiliesLoop + enddo transSystems end associate dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333) @@ -1600,11 +1578,9 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& tau_twin(j))**prm%r(j) - !* Shear rates and their derivatives due to twin - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) + if (lattice_structure(ph) == LATTICE_FCC_ID) then + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau_twin(j) < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& @@ -1614,9 +1590,9 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else Ndot0_twin=0.0_pReal end if - case default + else Ndot0_twin=prm%Ndot0_twin(j) - end select + endif dotState(instance)%twinFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) @@ -1627,12 +1603,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) enddo enddo - !* Transformation volume fraction evolution - j = 0_pInt - do f = 1_pInt,size(prm%Ntrans,1) - index_myFamily = sum(lattice_NtransSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Ntrans(f) ! process each (active) trans system in family - j = j+1_pInt + transSystems: do j = 1_pInt, prm%totalNtrans tau_trans(j) = math_mul33xx33(S,lattice_Strans(1:3,1:3,index_myFamily+i,ph)) @@ -1641,10 +1612,9 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/& tau_trans(j))**prm%s(f) !* Shear rates and their derivatives due to transformation - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) + if (lattice_structure(ph) == LATTICE_FCC_ID) then + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau_trans(j) < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& @@ -1654,9 +1624,9 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else Ndot0_trans=0.0_pReal end if - case default + else Ndot0_trans=prm%Ndot0_trans(j) - end select + endif dotState(instance)%strainTransFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) @@ -1665,8 +1635,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) ! lattice_sheartrans(index_myfamily+i,ph) endif - enddo - enddo + enddo transSystems end associate end subroutine plastic_dislotwin_dotState From 912926e6049b3dcb2155ffe5b9266971b5a18b28 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 15:07:22 +0200 Subject: [PATCH 040/143] more improvements --- src/plastic_dislotwin.f90 | 54 ++++++++------------------------------- 1 file changed, 10 insertions(+), 44 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index b8dce21b0..c5173d413 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1246,7 +1246,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) + StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) ! ToDo: no very helpful BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) @@ -1429,21 +1429,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) plasticState, & phaseAt, phasememberAt use lattice, only: & - lattice_Sslip, & - lattice_Stwin, & - lattice_Strans, & - lattice_maxNslipFamily, & - lattice_maxNtwinFamily, & - lattice_maxNtransFamily, & - lattice_NslipSystem, & - lattice_NtwinSystem, & - lattice_NtransSystem, & - lattice_sheartwin, & lattice_mu, & lattice_structure, & - lattice_fcc_twinNucleationSlipPair, & - lattice_fccTobcc_transNucleationTwinPair, & - lattice_fccTobcc_shearCritTrans, & LATTICE_fcc_ID implicit none @@ -1459,7 +1446,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) integer(pInt) :: instance,f,i,j,index_myFamily,s1,s2, & ph, & of - real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,& + real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,DotGamma0,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation @@ -1500,7 +1487,6 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = plasticState(ph)%state(j, of)*prm%burgers_slip(j)*prm%v0(j) @@ -1533,15 +1519,12 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) state(instance)%rhoEdge(j,of)*abs(gdot_slip(j)) !* Spontaneous annihilation of a single edge dislocation with a dipole constituent - DotRhoEdgeDipAnnihilation = & - ((2.0_pReal*EdgeDipMinDistance)/prm%burgers_slip(j))*& - state(instance)%rhoEdgeDip(j,of)*abs(gdot_slip(j)) + DotRhoEdgeDipAnnihilation = ((2.0_pReal*EdgeDipMinDistance)/prm%burgers_slip(j)) & + * state(instance)%rhoEdgeDip(j,of)*abs(gdot_slip(j)) !* Dislocation dipole climb - AtomicVolume = & - prm%CAtomicVolume*prm%burgers_slip(j)**(3.0_pReal) - VacancyDiffusion = & - prm%D0*exp(-prm%Qsd/(kB*Temperature)) + AtomicVolume = prm%CAtomicVolume*prm%burgers_slip(j)**(3.0_pReal) ! no need to calculate this over and over again + VacancyDiffusion = prm%D0*exp(-prm%Qsd/(kB*Temperature)) if (dEq0(tau_slip(j))) then DotRhoEdgeDipClimb = 0.0_pReal else @@ -1554,27 +1537,14 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) (EdgeDipDistance-EdgeDipMinDistance) endif endif - !* Edge dislocation density rate of change dotState(instance)%rhoEdge(j,of) = DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation - - !* Edge dislocation dipole density rate of change dotState(instance)%rhoEdgeDip(j,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb - - !* Dotstate for accumulated shear due to slip dotState(instance)%accshear_slip(j,of) = abs(gdot_slip(j)) enddo slipSystems - !* Twin volume fraction evolution - j = 0_pInt - do f = 1_pInt,size(prm%Ntwin,1) - index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Ntwin(f) ! process each (active) twin system in family - j = j+1_pInt - - !* Resolved shear stress on twin system + twinSystems: do j = 1_pInt, prm%totalNtwin tau_twin(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - !* Stress ratios if (tau_twin(j) > tol_math_check) then StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& tau_twin(j))**prm%r(j) @@ -1596,22 +1566,18 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) dotState(instance)%twinFraction(j,of) = & (1.0_pReal-sumf-sumftr)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - !* Dotstate for accumulated shear due to twin dotState(instance)%accshear_twin(j,of) = dotState(instance)%twinFraction(j,of) * & - lattice_sheartwin(index_myfamily+i,ph) + prm%shear_twin(j) endif - enddo - enddo + enddo twinSystems transSystems: do j = 1_pInt, prm%totalNtrans - tau_trans(j) = math_mul33xx33(S,lattice_Strans(1:3,1:3,index_myFamily+i,ph)) + tau_trans(j) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) - !* Stress ratios if (tau_trans(j) > tol_math_check) then StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/& tau_trans(j))**prm%s(f) - !* Shear rates and their derivatives due to transformation if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) From 7a67922c5f7f3c3bec40d33d79f54c623a41e050 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 16:08:01 +0200 Subject: [PATCH 041/143] general polishing --- src/plastic_dislotwin.f90 | 369 +++++++++++++++++--------------------- 1 file changed, 160 insertions(+), 209 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index c5173d413..41d909cd8 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -17,6 +17,8 @@ module plastic_dislotwin real(pReal), parameter, private :: & kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin + +! START: Do something here real(pReal), dimension(:,:), allocatable, private :: & tau_r_twin, & !< stress to bring partial close together for each twin system and instance tau_r_trans !< stress to bring partial close together for each trans system and instance @@ -25,6 +27,7 @@ module plastic_dislotwin projectionMatrix_Trans !< matrix for projection of slip system shear on fault band (twin) systems for each instance real(pReal), dimension(:,:,:,:,:), allocatable, private :: & sbSv +! END: Do something here enum, bind(c) enumerator :: undefined_ID, & @@ -232,7 +235,7 @@ subroutine plastic_dislotwin_init(fileUnit) integer(pInt) :: NofMyPhase integer(kind(undefined_ID)) outputID - real(pReal), dimension(:,:,:,:,:), allocatable :: & + real(pReal), dimension(:,:,:,:,:), allocatable :: & Ctwin3333, & !< twin elasticity matrix Ctrans3333 !< trans elasticity matrix @@ -282,9 +285,8 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(param(maxNinstance)) allocate(state(maxNinstance)) allocate(dotState(maxNinstance)) - allocate(sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) - + allocate(sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle @@ -389,7 +391,10 @@ subroutine plastic_dislotwin_init(fileUnit) if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then prm%interaction_SlipTwin = spread(config_phase(p)%getFloats('interaction_sliptwin'),2,1) prm%interaction_TwinSlip = spread(config_phase(p)%getFloats('interaction_twinslip'),2,1) - endif + prm%p = math_expand(prm%p,prm%Nslip) + prm%q = math_expand(prm%q,prm%Nslip) + prm%tau_peierls = math_expand(prm%tau_peierls,prm%Nslip) + endif if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then prm%interaction_TransSlip = spread(config_phase(p)%getFloats('interaction_transslip'),2,1) @@ -578,11 +583,8 @@ subroutine plastic_dislotwin_init(fileUnit) prm%qShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') - prm%p = math_expand(prm%p,prm%Nslip) - prm%q = math_expand(prm%q,prm%Nslip) - prm%tau_peierls = math_expand(prm%tau_peierls,prm%Nslip) enddo - +! ToDo: this works only for one instance! allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal) allocate(projectionMatrix_Trans(prm%totalNtrans,prm%totalNslip,maxNinstance), source=0.0_pReal) @@ -1184,17 +1186,19 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 - integer(pInt) :: instance,ph,of,f,i,j,k,l,m,n,index_myFamily,s1,s2 - real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0_twin,stressRatio, & - Ndot0_trans,StressRatio_s - real(pReal), dimension(3,3,3,3) :: dLp_dTstar3333 + integer(pInt) :: instance,ph,of,j,k,l,m,n,s1,s2 + real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,& + StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0_twin,stressRatio, & + Ndot0_trans,StressRatio_s, & + tau_twin, tau_trans, & + gdot_twin,dgdot_dtautwin, & + gdot_trans,dgdot_dtautrans, & + dgdot_dtauslip, & + tau_slip + real(pReal), dimension(3,3,3,3) :: dLp_dS real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & - gdot_slip,dgdot_dtauslip,tau_slip - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: & - gdot_twin,dgdot_dtautwin,tau_twin - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: & - gdot_trans,dgdot_dtautrans,tau_trans - real(pReal), dimension(6) :: gdot_sb,dgdot_dtausb,tau_sb + gdot_slip + real(pReal):: gdot_sb,dgdot_dtausb,tau_sb real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix real(pReal), dimension(3) :: eigValues, sb_s, sb_m logical :: error @@ -1229,46 +1233,43 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Lp = 0.0_pReal - dLp_dTstar3333 = 0.0_pReal + dLp_dS = 0.0_pReal S = math_Mandel6to33(Tstar_v) associate(prm => param(instance)) !-------------------------------------------------------------------------------------------------- ! Dislocation glide part - gdot_slip = 0.0_pReal - dgdot_dtauslip = 0.0_pReal slipSystems: do j = 1_pInt, prm%totalNslip + tau_slip = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - tau_slip(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - - if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& + significantSlipStress: if((abs(tau_slip)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio =((abs(tau_slip)- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) ! ToDo: no very helpful BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - !* Initial shear rates DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - - !* Shear rates due to slip - gdot_slip(j) = DotGamma0 *sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau_slip(j)) + gdot_slip(j) = DotGamma0 *sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau_slip) !* Derivatives of shear rates - dgdot_dtauslip(j) = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & - / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & - * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) - endif + dgdot_dtauslip = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & + / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & + * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) + else significantSlipStress + gdot_slip(j) = 0.0_pReal + dgdot_dtauslip = 0.0_pReal + endif significantSlipStress Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & - + dgdot_dtauslip(j) * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtauslip * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) enddo slipSystems !-------------------------------------------------------------------------------------------------- -! correct Lp and dLp_dTstar3333 for twinned and transformed fraction +! correct Lp and dLp_dS for twinned and transformed fraction !* Total twin volume fraction sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 @@ -1276,13 +1277,11 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) Lp = Lp * (1.0_pReal - sumf - sumftr) - dLp_dTstar3333 = dLp_dTstar3333 * (1.0_pReal - sumf - sumftr) + dLp_dS = dLp_dS * (1.0_pReal - sumf - sumftr) !-------------------------------------------------------------------------------------------------- ! Shear banding (shearband) part if(dNeq0(prm%sbVelocity)) then - gdot_sb = 0.0_pReal - dgdot_dtausb = 0.0_pReal call math_eigenValuesVectorsSym(S,eigValues,eigVectors,error) do j = 1_pInt,6_pInt sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) @@ -1292,122 +1291,99 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !* Calculation of Lp !* Resolved shear stress on shear banding system - tau_sb(j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + tau_sb = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) !* Stress ratios - if (abs(tau_sb(j)) < tol_math_check) then - StressRatio_p = 0.0_pReal - StressRatio_pminus1 = 0.0_pReal - else - StressRatio_p = (abs(tau_sb(j))/prm%sbResistance)& - **prm%pShearBand - StressRatio_pminus1 = (abs(tau_sb(j))/prm%sbResistance)& - **(prm%pShearBand-1.0_pReal) - endif + if (abs(tau_sb) < tol_math_check) then + StressRatio_p = 0.0_pReal + StressRatio_pminus1 = 0.0_pReal + else + StressRatio_p = (abs(tau_sb)/prm%sbResistance)**prm%pShearBand + StressRatio_pminus1 = (abs(tau_sb)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) + endif BoltzmannRatio = prm%sbQedge/(kB*Temperature) - !* Initial shear rates - DotGamma0 = prm%sbVelocity + gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau_sb) + dgdot_dtausb = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) & + * StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) - !* Shear rates due to shearband - gdot_sb(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%qShearBand)*sign(1.0_pReal,tau_sb(j)) - - !* Derivatives of shear rates - dgdot_dtausb(j) = & - ((abs(gdot_sb(j))*BoltzmannRatio*& - prm%pShearBand*prm%qShearBand)/& - prm%sbResistance)*& - StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) - - Lp = Lp + gdot_sb(j)*sb_Smatrix + Lp = Lp + gdot_sb*sb_Smatrix forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & - + dgdot_dtausb(j)* sb_Smatrix(k,l) * sb_Smatrix(m,n) + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtausb * sb_Smatrix(k,l) * sb_Smatrix(m,n) enddo end if - gdot_twin = 0.0_pReal - dgdot_dtautwin = 0.0_pReal - twinSystems: do j = 1_pInt, prm%totalNtwin - - tau_twin(j) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) - - if (tau_twin(j) > tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin(j))**prm%r(f) - !* Shear rates and their derivatives due to twin - if (lattice_structure(ph) == LATTICE_FCC_ID) then + tau_twin = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + significantTwinStress: if (tau_twin > tol_math_check) then + StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin)**prm%r(j) + isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_twin(j) < tau_r_twin(j,instance)) then + if (tau_twin < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& (prm%L0_twin*prm%burgers_slip(j))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau_twin(j)))) + (tau_r_twin(j,instance)-tau_twin))) else Ndot0_twin=0.0_pReal end if - else + else isFCCtwin Ndot0_twin=prm%Ndot0_twin(j) - endif - gdot_twin(j) = & - (1.0_pReal-sumf-sumftr)*prm%shear_twin(j)*& + endif isFCCtwin + gdot_twin = (1.0_pReal-sumf-sumftr)*prm%shear_twin(j)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dgdot_dtautwin(j) = ((gdot_twin(j)*prm%r(j))/tau_twin(j))*StressRatio_r - endif + dgdot_dtautwin = ((gdot_twin*prm%r(j))/tau_twin)*StressRatio_r + else significantTwinStress + gdot_twin = 0.0_pReal + dgdot_dtautwin = 0.0_pReal + endif significantTwinStress - Lp = Lp + gdot_twin(j)*prm%Schmid_twin(1:3,1:3,j) + Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,j) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & - + dgdot_dtautwin(j)* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtautwin* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) enddo twinSystems - !* Phase transformation part - gdot_trans = 0.0_pReal - dgdot_dtautrans = 0.0_pReal - j = 0_pInt transSystems: do j = 1_pInt, prm%totalNtrans - tau_trans(j) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) - - !* Stress ratios - if (tau_trans(j) > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans(j))**prm%s(f) - !* Shear rates and their derivatives due to transformation - if (lattice_structure(ph) == LATTICE_FCC_ID) then + tau_trans = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) + significantTransStress: if (tau_trans > tol_math_check) then + StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans)**prm%s(j) + isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_trans(j) < tau_r_trans(j,instance)) then - Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? + if (tau_trans < tau_r_trans(j,instance)) then + Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& (prm%L0_trans*prm%burgers_slip(j))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_trans(j,instance)-tau_trans(j)))) - else - Ndot0_trans=0.0_pReal - end if - else - Ndot0_trans=prm%Ndot0_trans(j) - endif - gdot_trans(j) = & - (1.0_pReal-sumf-sumftr)*& - state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) - dgdot_dtautrans(j) = ((gdot_trans(j)*prm%s(f))/tau_trans(j))*StressRatio_s - endif + (tau_r_trans(j,instance)-tau_trans))) + else + Ndot0_trans=0.0_pReal + end if + else isFCCtrans + Ndot0_trans=prm%Ndot0_trans(j) + endif isFCCtrans + gdot_trans = (1.0_pReal-sumf-sumftr)* state(instance)%martensiteVolume(j,of) & + * Ndot0_trans*exp(-StressRatio_s) + dgdot_dtautrans = ((gdot_trans*prm%s(j))/tau_trans)*StressRatio_s + else significantTransStress + gdot_trans = 0.0_pReal + dgdot_dtautrans = 0.0_pReal + endif significantTransStress - !* Plastic velocity gradient for phase transformation - Lp = Lp + gdot_trans(j)*prm%Schmid_trans(1:3,1:3,j) - - !* Calculation of the tangent of Lp - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dTstar3333(k,l,m,n) = dLp_dTstar3333(k,l,m,n) & - + dgdot_dtautrans(j) * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j) + Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtautrans * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j) enddo transSystems end associate - dLp_dTstar99 = math_Plain3333to99(dLp_dTstar3333) + + dLp_dTstar99 = math_Plain3333to99(dLp_dS) end subroutine plastic_dislotwin_LpAndItsTangent @@ -1443,20 +1419,19 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) ip, & !< integration point el !< element - integer(pInt) :: instance,f,i,j,index_myFamily,s1,s2, & + integer(pInt) :: instance,j,s1,s2, & ph, & of real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,DotGamma0,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & - DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation + DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & + tau_twin, & + tau_trans, & + tau_slip real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & - gdot_slip,tau_slip + gdot_slip - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntwin) :: & - tau_twin - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Ntrans) :: & - tau_trans real(pReal), dimension(3,3) :: & S !< Second-Piola Kirchhoff stress @@ -1478,46 +1453,35 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) - !* Dislocation density evolution - gdot_slip = 0.0_pReal slipSystems: do j = 1_pInt, prm%totalNslip - tau_slip(j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - - if((abs(tau_slip(j))-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio =((abs(tau_slip(j))- state(instance)%threshold_stress_slip(j,of))/& + tau_slip = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + significantSlipStress1: if((abs(tau_slip)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio =((abs(tau_slip)- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) - StressRatio_p = stressRatio** prm%p(j) + StressRatio_p = stressRatio** prm%p(j) BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - !* Initial shear rates DotGamma0 = plasticState(ph)%state(j, of)*prm%burgers_slip(j)*prm%v0(j) - - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)** & - prm%q(j))*sign(1.0_pReal,tau_slip(j)) - endif - !* Multiplication + gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(j))*sign(1.0_pReal,tau_slip) + else significantSlipStress1 + gdot_slip(j) = 0.0_pReal + endif significantSlipStress1 DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) - !* Dipole formation EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(j) - if (dEq0(tau_slip(j))) then + significantSlipStress2: if (dEq0(tau_slip)) then DotRhoDipFormation = 0.0_pReal - else - EdgeDipDistance = & - (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& - (16.0_pReal*pi*abs(tau_slip(j))) + else significantSlipStress2 + EdgeDipDistance = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& + (16.0_pReal*PI*abs(tau_slip)) if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) - if (EdgeDipDistance tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/& - tau_twin(j))**prm%r(j) - if (lattice_structure(ph) == LATTICE_FCC_ID) then + tau_twin = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + significantTwinStress: if (tau_twin > tol_math_check) then + StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin)**prm%r(j) + isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_twin(j) < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& + if (tau_twin < tau_r_twin(j,instance)) then + Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (prm%L0_twin*prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau_twin(j)))) - else - Ndot0_twin=0.0_pReal - end if - else - Ndot0_twin=prm%Ndot0_twin(j) - endif - dotState(instance)%twinFraction(j,of) = & - (1.0_pReal-sumf-sumftr)*& - state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dotState(instance)%accshear_twin(j,of) = dotState(instance)%twinFraction(j,of) * & - prm%shear_twin(j) - endif + (prm%L0_twin*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (tau_r_twin(j,instance)-tau_twin))) + else + Ndot0_twin=0.0_pReal + end if + else isFCCtwin + Ndot0_twin=prm%Ndot0_twin(j) + endif isFCCtwin + dotState(instance)%twinFraction(j,of) = (1.0_pReal-sumf-sumftr)*& + state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) + dotState(instance)%accshear_twin(j,of) = dotState(instance)%twinFraction(j,of) * prm%shear_twin(j) + endif significantTwinStress enddo twinSystems transSystems: do j = 1_pInt, prm%totalNtrans - - tau_trans(j) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) - - if (tau_trans(j) > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/& - tau_trans(j))**prm%s(f) - if (lattice_structure(ph) == LATTICE_FCC_ID) then + tau_trans = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) + significantTransStress: if (tau_trans > tol_math_check) then + StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans)**prm%s(j) + isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_trans(j) < tau_r_trans(j,instance)) then - Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& - (prm%L0_trans*prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_trans(j,instance)-tau_trans(j)))) - else - Ndot0_trans=0.0_pReal - end if - else - Ndot0_trans=prm%Ndot0_trans(j) - endif - dotState(instance)%strainTransFraction(j,of) = & - (1.0_pReal-sumf-sumftr)*& - state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) + if (tau_trans < tau_r_trans(j,instance)) then + Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& + (prm%L0_trans*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (tau_r_trans(j,instance)-tau_trans))) + else + Ndot0_trans=0.0_pReal + end if + else isFCCtrans + Ndot0_trans=prm%Ndot0_trans(j) + endif isFCCtrans + dotState(instance)%strainTransFraction(j,of) = (1.0_pReal-sumf-sumftr)*& + state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) !* Dotstate for accumulated shear due to transformation !dotState(instance)%accshear_trans(j,of) = dotState(instance)%strainTransFraction(j,of) * & ! lattice_sheartrans(index_myfamily+i,ph) - endif - + endif significantTransStress enddo transSystems -end associate + + end associate end subroutine plastic_dislotwin_dotState @@ -1708,13 +1662,10 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates - DotGamma0 = & - state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & - prm%v0(j) + DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) !* Shear rates due to slip - plastic_dislotwin_postResults(c+j) = & - DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + plastic_dislotwin_postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& prm%q(j))*sign(1.0_pReal,tau) else plastic_dislotwin_postResults(c+j) = 0.0_pReal From ea1fd621aa0cc3eecb2460e95bbf629a450c8c69 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 16:36:19 +0200 Subject: [PATCH 042/143] more cleaning --- src/plastic_dislotwin.f90 | 132 ++++++++++++++++++-------------------- 1 file changed, 61 insertions(+), 71 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 41d909cd8..bd123ca46 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1188,17 +1188,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature integer(pInt) :: instance,ph,of,j,k,l,m,n,s1,s2 real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,& - StressRatio_r,BoltzmannRatio,DotGamma0,Ndot0_twin,stressRatio, & + StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & Ndot0_trans,StressRatio_s, & - tau_twin, tau_trans, & - gdot_twin,dgdot_dtautwin, & - gdot_trans,dgdot_dtautrans, & - dgdot_dtauslip, & - tau_slip + dgdot_dtau, & + tau real(pReal), dimension(3,3,3,3) :: dLp_dS real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & gdot_slip - real(pReal):: gdot_sb,dgdot_dtausb,tau_sb + real(pReal):: gdot_sb,gdot_twin,gdot_trans real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix real(pReal), dimension(3) :: eigValues, sb_s, sb_m logical :: error @@ -1241,31 +1238,30 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !-------------------------------------------------------------------------------------------------- ! Dislocation glide part slipSystems: do j = 1_pInt, prm%totalNslip - tau_slip = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - significantSlipStress: if((abs(tau_slip)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio =((abs(tau_slip)- state(instance)%threshold_stress_slip(j,of))/& + significantSlipStress: if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio =((abs(tau)- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) ! ToDo: no very helpful BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - gdot_slip(j) = DotGamma0 *sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau_slip) + gdot_slip(j) = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) & + * sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau) !* Derivatives of shear rates - dgdot_dtauslip = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & + dgdot_dtau = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) else significantSlipStress gdot_slip(j) = 0.0_pReal - dgdot_dtauslip = 0.0_pReal + dgdot_dtau = 0.0_pReal endif significantSlipStress Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtauslip * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) + + dgdot_dtau * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) enddo slipSystems !-------------------------------------------------------------------------------------------------- @@ -1276,12 +1272,13 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !* Total transformed volume fraction sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) - Lp = Lp * (1.0_pReal - sumf - sumftr) + Lp = Lp * (1.0_pReal - sumf - sumftr) dLp_dS = dLp_dS * (1.0_pReal - sumf - sumftr) !-------------------------------------------------------------------------------------------------- ! Shear banding (shearband) part if(dNeq0(prm%sbVelocity)) then + BoltzmannRatio = prm%sbQedge/(kB*Temperature) call math_eigenValuesVectorsSym(S,eigValues,eigVectors,error) do j = 1_pInt,6_pInt sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) @@ -1291,76 +1288,72 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature !* Calculation of Lp !* Resolved shear stress on shear banding system - tau_sb = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) !* Stress ratios - if (abs(tau_sb) < tol_math_check) then + if (abs(tau) < tol_math_check) then StressRatio_p = 0.0_pReal StressRatio_pminus1 = 0.0_pReal else - StressRatio_p = (abs(tau_sb)/prm%sbResistance)**prm%pShearBand - StressRatio_pminus1 = (abs(tau_sb)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) + StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand + StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) endif - - BoltzmannRatio = prm%sbQedge/(kB*Temperature) - gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau_sb) - dgdot_dtausb = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) & - * StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) + gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau) + dgdot_dtau = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) & + * StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) Lp = Lp + gdot_sb*sb_Smatrix - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtausb * sb_Smatrix(k,l) * sb_Smatrix(m,n) + + dgdot_dtau * sb_Smatrix(k,l) * sb_Smatrix(m,n) enddo end if twinSystems: do j = 1_pInt, prm%totalNtwin - tau_twin = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) - significantTwinStress: if (tau_twin > tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin)**prm%r(j) + tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + significantTwinStress: if (tau > tol_math_check) then + StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau)**prm%r(j) isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_twin < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(ph)%rhoEdgeDip(s2,of))+& !!!!! correct? + if (tau < tau_r_twin(j,instance)) then + Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& (prm%L0_twin*prm%burgers_slip(j))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau_twin))) + (tau_r_twin(j,instance)-tau))) else Ndot0_twin=0.0_pReal end if else isFCCtwin Ndot0_twin=prm%Ndot0_twin(j) endif isFCCtwin - gdot_twin = (1.0_pReal-sumf-sumftr)*prm%shear_twin(j)*& - state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dgdot_dtautwin = ((gdot_twin*prm%r(j))/tau_twin)*StressRatio_r + gdot_twin = (1.0_pReal-sumf-sumftr)* prm%shear_twin(j) * state(instance)%twinVolume(j,of) & + * Ndot0_twin*exp(-StressRatio_r) + dgdot_dtau = ((gdot_twin*prm%r(j))/tau)*StressRatio_r else significantTwinStress gdot_twin = 0.0_pReal - dgdot_dtautwin = 0.0_pReal + dgdot_dtau = 0.0_pReal endif significantTwinStress Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,j) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtautwin* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) + + dgdot_dtau* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) enddo twinSystems transSystems: do j = 1_pInt, prm%totalNtrans - tau_trans = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) - significantTransStress: if (tau_trans > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans)**prm%s(j) + tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) + significantTransStress: if (tau > tol_math_check) then + StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau)**prm%s(j) isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_trans < tau_r_trans(j,instance)) then + if (tau < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& (prm%L0_trans*prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_trans(j,instance)-tau_trans))) + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(tau_r_trans(j,instance)-tau))) else Ndot0_trans=0.0_pReal end if @@ -1369,17 +1362,16 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature endif isFCCtrans gdot_trans = (1.0_pReal-sumf-sumftr)* state(instance)%martensiteVolume(j,of) & * Ndot0_trans*exp(-StressRatio_s) - dgdot_dtautrans = ((gdot_trans*prm%s(j))/tau_trans)*StressRatio_s + dgdot_dtau = ((gdot_trans*prm%s(j))/tau)*StressRatio_s else significantTransStress gdot_trans = 0.0_pReal - dgdot_dtautrans = 0.0_pReal + dgdot_dtau = 0.0_pReal endif significantTransStress Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtautrans * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j) + + dgdot_dtau * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j) enddo transSystems end associate @@ -1422,13 +1414,11 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) integer(pInt) :: instance,j,s1,s2, & ph, & of - real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,DotGamma0,& + real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & - tau_twin, & - tau_trans, & - tau_slip + tau real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & gdot_slip @@ -1454,25 +1444,25 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) slipSystems: do j = 1_pInt, prm%totalNslip - tau_slip = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - significantSlipStress1: if((abs(tau_slip)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio =((abs(tau_slip)- state(instance)%threshold_stress_slip(j,of))/& + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + significantSlipStress1: if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio =((abs(tau)- state(instance)%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - DotGamma0 = plasticState(ph)%state(j, of)*prm%burgers_slip(j)*prm%v0(j) - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(j))*sign(1.0_pReal,tau_slip) + gdot_slip(j) = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)*prm%v0(j) & + * sign(exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(j)),tau) else significantSlipStress1 gdot_slip(j) = 0.0_pReal endif significantSlipStress1 DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(j) - significantSlipStress2: if (dEq0(tau_slip)) then + significantSlipStress2: if (dEq0(tau)) then DotRhoDipFormation = 0.0_pReal else significantSlipStress2 EdgeDipDistance = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& - (16.0_pReal*PI*abs(tau_slip)) + (16.0_pReal*PI*abs(tau)) if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) if (EdgeDipDistance tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau_twin)**prm%r(j) + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + significantTwinStress: if (tau > tol_math_check) then + StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau)**prm%r(j) isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_twin < tau_r_twin(j,instance)) then + if (tau < tau_r_twin(j,instance)) then Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& (prm%L0_twin*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau_twin))) + (tau_r_twin(j,instance)-tau))) else Ndot0_twin=0.0_pReal end if @@ -1531,17 +1521,17 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) enddo twinSystems transSystems: do j = 1_pInt, prm%totalNtrans - tau_trans = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) - significantTransStress: if (tau_trans > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau_trans)**prm%s(j) + tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) + significantTransStress: if (tau > tol_math_check) then + StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau)**prm%s(j) isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau_trans < tau_r_trans(j,instance)) then + if (tau < tau_r_trans(j,instance)) then Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& (prm%L0_trans*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_trans(j,instance)-tau_trans))) + (tau_r_trans(j,instance)-tau))) else Ndot0_trans=0.0_pReal end if From 34d1c011c72341637876abbe47f05ee302912bf4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 16:38:17 +0200 Subject: [PATCH 043/143] long name does not help here --- src/plastic_dislotwin.f90 | 56 +++++++++++++++++++-------------------- 1 file changed, 28 insertions(+), 28 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index bd123ca46..2eb706eb0 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1554,7 +1554,7 @@ end subroutine plastic_dislotwin_dotState !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- -function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) +function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(postResults) use prec, only: & tol_math_check, & dEq0 @@ -1591,7 +1591,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) el !< element real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults) :: & - plastic_dislotwin_postResults + postResults integer(pInt) :: & instance,& f,o,i,c,j,index_myFamily,& @@ -1622,15 +1622,15 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Required output c = 0_pInt - plastic_dislotwin_postResults = 0.0_pReal + postResults = 0.0_pReal do o = 1_pInt,size(prm%outputID) select case(prm%outputID(o)) case (edge_density_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) = state(instance)%rhoEdge(1_pInt:prm%totalNslip,of) + postResults(c+1_pInt:c+prm%totalNslip) = state(instance)%rhoEdge(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (dipole_density_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) = state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of) + postResults(c+1_pInt:c+prm%totalNslip) = state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (shear_rate_slip_ID) j = 0_pInt @@ -1655,20 +1655,20 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) !* Shear rates due to slip - plastic_dislotwin_postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& prm%q(j))*sign(1.0_pReal,tau) else - plastic_dislotwin_postResults(c+j) = 0.0_pReal + postResults(c+j) = 0.0_pReal endif enddo ; enddo c = c + prm%totalNslip case (accumulated_shear_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) = & + postResults(c+1_pInt:c+prm%totalNslip) = & state(instance)%accshear_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (mfp_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) =& + postResults(c+1_pInt:c+prm%totalNslip) =& state(instance)%mfp_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (resolved_stress_slip_ID) @@ -1677,12 +1677,12 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt - plastic_dislotwin_postResults(c+j) =& + postResults(c+j) =& math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) enddo; enddo c = c + prm%totalNslip case (threshold_stress_slip_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNslip) = & + postResults(c+1_pInt:c+prm%totalNslip) = & state(instance)%threshold_stress_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (edge_dipole_distance_ID) @@ -1691,18 +1691,18 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family j = j + 1_pInt - plastic_dislotwin_postResults(c+j) = & + postResults(c+j) = & (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& (16.0_pReal*pi*abs(math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)))) - plastic_dislotwin_postResults(c+j)=min(plastic_dislotwin_postResults(c+j),& + postResults(c+j)=min(postResults(c+j),& state(instance)%mfp_slip(j,of)) - ! plastic_dislotwin_postResults(c+j)=max(plastic_dislotwin_postResults(c+j),& + ! postResults(c+j)=max(postResults(c+j),& ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) enddo; enddo c = c + prm%totalNslip case (resolved_stress_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearband families - plastic_dislotwin_postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) enddo c = c + 6_pInt case (shear_rate_shearband_ID) @@ -1724,13 +1724,13 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) !* Initial shear rates DotGamma0 = prm%sbVelocity ! Shear rate due to shear band - plastic_dislotwin_postResults(c+j) = & + postResults(c+j) = & DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& sign(1.0_pReal,tau) enddo c = c + 6_pInt case (twin_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%twinFraction(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%twinFraction(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (shear_rate_twin_ID) if (prm%totalNtwin > 0_pInt) then @@ -1799,7 +1799,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) end select StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & **prm%r(j) - plastic_dislotwin_postResults(c+j) = & + postResults(c+j) = & (prm%MaxTwinFraction-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) endif @@ -1808,10 +1808,10 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) endif c = c + prm%totalNtwin case (accumulated_shear_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%accshear_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%accshear_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (mfp_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%mfp_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%mfp_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (resolved_stress_twin_ID) if (prm%totalNtwin > 0_pInt) then @@ -1820,12 +1820,12 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family do i = 1_pInt,prm%Ntwin(f) ! process each (active) slip system in family j = j + 1_pInt - plastic_dislotwin_postResults(c+j) = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) + postResults(c+j) = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) enddo; enddo endif c = c + prm%totalNtwin case (threshold_stress_twin_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%threshold_stress_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%threshold_stress_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (stress_exponent_ID) j = 0_pInt @@ -1871,27 +1871,27 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) endif !* Stress exponent - plastic_dislotwin_postResults(c+j) = & + postResults(c+j) = & merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j))) enddo ; enddo c = c + prm%totalNslip case (sb_eigenvalues_ID) - plastic_dislotwin_postResults(c+1_pInt:c+3_pInt) = math_eigenvaluesSym33(S) + postResults(c+1_pInt:c+3_pInt) = math_eigenvaluesSym33(S) c = c + 3_pInt case (sb_eigenvectors_ID) call math_eigenValuesVectorsSym33(S,eigValues,eigVectors) - plastic_dislotwin_postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,[9]) + postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,[9]) c = c + 9_pInt case (stress_trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtrans) = & + postResults(c+1_pInt:c+prm%totalNtrans) = & state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of) c = c + prm%totalNtrans case (strain_trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtrans) = & + postResults(c+1_pInt:c+prm%totalNtrans) = & state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of) c = c + prm%totalNtrans case (trans_fraction_ID) - plastic_dislotwin_postResults(c+1_pInt:c+prm%totalNtrans) = & + postResults(c+1_pInt:c+prm%totalNtrans) = & state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of) + & state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of) c = c + prm%totalNtrans From 0b94b8085deb042f9134f2676fd3c236db3c0545 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 31 Aug 2018 18:17:35 +0200 Subject: [PATCH 044/143] still just polishing --- src/plastic_dislotwin.f90 | 59 ++++++++++++++------------------------- 1 file changed, 21 insertions(+), 38 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 2eb706eb0..00a3a8aa0 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -397,8 +397,8 @@ subroutine plastic_dislotwin_init(fileUnit) endif if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then - prm%interaction_TransSlip = spread(config_phase(p)%getFloats('interaction_transslip'),2,1) - prm%interaction_SlipTrans = spread(config_phase(p)%getFloats('interaction_sliptrans'),2,1) + prm%interaction_TransSlip = spread(config_phase(p)%getFloats('interaction_transslip'),2,1) + prm%interaction_SlipTrans = spread(config_phase(p)%getFloats('interaction_sliptrans'),2,1) endif @@ -427,66 +427,53 @@ subroutine plastic_dislotwin_init(fileUnit) do i= 1_pInt, size(outputs) outputID = undefined_ID select case(outputs(i)) - case ('edge_density') outputID = edge_density_ID - outputSize = sum(prm%Nslip) - + outputSize = prm%totalNslip case ('dipole_density') outputID = dipole_density_ID - outputSize = sum(prm%Nslip) - + outputSize = prm%totalNslip case ('shear_rate_slip','shearrate_slip') outputID = shear_rate_slip_ID - outputSize = sum(prm%Nslip) - + outputSize = prm%totalNslip case ('accumulated_shear_slip') outputID = accumulated_shear_slip_ID - outputSize = sum(prm%Nslip) - + outputSize = prm%totalNslip case ('mfp_slip') outputID = mfp_slip_ID - outputSize = sum(prm%Nslip) - + outputSize = prm%totalNslip case ('resolved_stress_slip') outputID = resolved_stress_slip_ID - outputSize = sum(prm%Nslip) - + outputSize = prm%totalNslip case ('threshold_stress_slip') outputID= threshold_stress_slip_ID - outputSize = sum(prm%Nslip) - + outputSize = prm%totalNslip case ('edge_dipole_distance') outputID = edge_dipole_distance_ID - outputSize = sum(prm%Nslip) - + outputSize = prm%totalNslip case ('stress_exponent') outputID = stress_exponent_ID - outputSize = sum(prm%Nslip) + outputSize = prm%totalNslip case ('twin_fraction') outputID = twin_fraction_ID - outputSize = sum(prm%Ntwin) + outputSize = prm%totalNtwin case ('shear_rate_twin','shearrate_twin') - outputID= shear_rate_twin_ID - outputSize = sum(prm%Ntwin) - + outputID = shear_rate_twin_ID + outputSize = prm%totalNtwin case ('accumulated_shear_twin') outputID = accumulated_shear_twin_ID - outputSize = sum(prm%Ntwin) - + outputSize = prm%totalNtwin case ('mfp_twin') outputID = mfp_twin_ID - outputSize = sum(prm%Ntwin) - + outputSize = prm%totalNtwin case ('resolved_stress_twin') outputID = resolved_stress_twin_ID - outputSize = sum(prm%Ntwin) - + outputSize = prm%totalNtwin case ('threshold_stress_twin') outputID = threshold_stress_twin_ID - outputSize = sum(prm%Ntwin) + outputSize = prm%totalNtwin case ('resolved_stress_shearband') outputID = resolved_stress_shearband_ID @@ -495,26 +482,22 @@ subroutine plastic_dislotwin_init(fileUnit) case ('shear_rate_shearband','shearrate_shearband') outputID = shear_rate_shearband_ID outputSize = 6_pInt - case ('sb_eigenvalues') outputID = sb_eigenvalues_ID outputSize = 3_pInt - case ('sb_eigenvectors') outputID = sb_eigenvectors_ID outputSize = 3_pInt case ('stress_trans_fraction') outputID = stress_trans_fraction_ID - outputSize = sum(prm%Ntrans) - + outputSize = prm%totalNtrans case ('strain_trans_fraction') outputID = strain_trans_fraction_ID - outputSize = sum(prm%Ntrans) - + outputSize = prm%totalNtrans case ('trans_fraction','total_trans_fraction') outputID = trans_fraction_ID - outputSize = sum(prm%Ntrans) + outputSize = prm%totalNtrans end select From e9f738fadeb48bab40e12e86ff4af2c12b8c2598 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 1 Sep 2018 10:45:34 +0200 Subject: [PATCH 045/143] cleaning + renaming --- src/plastic_dislotwin.f90 | 545 +++++++++++++++++--------------------- 1 file changed, 245 insertions(+), 300 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 00a3a8aa0..766507185 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -123,7 +123,8 @@ module plastic_dislotwin interaction_TwinTwin, & !< coefficients for twin-twin interaction for each interaction type and instance interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance - interaction_TransTrans, & !< coefficients for trans-trans interaction for each interaction type and instance + interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance + integer(pInt), dimension(:,:), allocatable, private :: & fcc_twinNucleationSlipPair real(pReal), dimension(:,:,:), allocatable :: & Schmid_trans, & @@ -482,12 +483,6 @@ subroutine plastic_dislotwin_init(fileUnit) case ('shear_rate_shearband','shearrate_shearband') outputID = shear_rate_shearband_ID outputSize = 6_pInt - case ('sb_eigenvalues') - outputID = sb_eigenvalues_ID - outputSize = 3_pInt - case ('sb_eigenvectors') - outputID = sb_eigenvectors_ID - outputSize = 3_pInt case ('stress_trans_fraction') outputID = stress_trans_fraction_ID @@ -679,7 +674,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal) if (lattice_structure(p) == LATTICE_fcc_ID) & - allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0.0_pReal) + allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0_pInt) allocate(prm%shear_twin(prm%totalNtwin),source = 0.0_pReal) i = 0_pInt twinFamiliesLoop: do f = 1_pInt, size(prm%Ntwin,1) @@ -962,7 +957,7 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) ip, & !< integration point el !< element type(tParameters) :: prm - type(tDislotwinState) :: ste + type(tDislotwinState) :: stt integer(pInt) :: instance,i, & ph, & @@ -973,25 +968,25 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) of = phasememberAt(ipc,ip,el) ph = phaseAt(ipc,ip,el) instance = phase_plasticityInstance(ph) - associate( prm => param(instance), ste =>state(instance)) + associate( prm => param(instance), stt =>state(instance)) !* Total twin volume fraction - sumf = sum(ste%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 + sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 !* Total transformed volume fraction - sumftr = sum(ste%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(ste%strainTransFraction(1_pInt:prm%totalNtrans,of)) + sumftr = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) !* Homogenized elasticity matrix plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) do i=1_pInt,prm%totalNtwin plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + ste%twinFraction(i,of)*prm%Ctwin66(1:6,1:6,i) + + stt%twinFraction(i,of)*prm%Ctwin66(1:6,1:6,i) enddo do i=1_pInt,prm%totalNtrans plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + (ste%stressTransFraction(i,of) + ste%strainTransFraction(i,of))*& + + (stt%stressTransFraction(i,of) + stt%strainTransFraction(i,of))*& prm%Ctrans66(1:6,1:6,i) enddo end associate @@ -1032,94 +1027,90 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) fOverStacksize, & ftransOverLamellarSize - type(tParameters):: prm - type(tDislotwinState) :: ste + type(tParameters) :: prm !< parameters of present instance + type(tDislotwinState) :: stt !< state of present instance - - !* Shortened notation of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) + ph = material_phase(ipc,ip,el) - associate(prm => param(instance), & - ste => state(instance)) + associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) - sumf = sum(ste%twinFraction(1:prm%totalNtwin,of)) - - sumftr = sum(ste%stressTransFraction(1:prm%totalNtrans,of)) + & - sum(ste%strainTransFraction(1:prm%totalNtrans,of)) + sumf = sum(stt%twinFraction(1:prm%totalNtwin,of)) + sumftr = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & + + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) sfe = prm%SFE_0K + prm%dSFE_dT * Temperature !* rescaled volume fraction for topology - fOverStacksize = ste%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize + fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize ftransOverLamellarSize = sumftr /prm%lamellarsizePerTransSystem !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (s = 1_pInt:prm%totalNslip) & - ste%invLambdaSlip(s,of) = & - sqrt(dot_product((ste%rhoEdge(1_pInt:prm%totalNslip,of)+ste%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& + stt%invLambdaSlip(s,of) = & + sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& forestProjectionEdge(1:prm%totalNslip,s,instance)))/prm%CLambdaSlipPerSlipSystem(s) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & - ste%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & + stt%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf) !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin !ToDo: needed? if (prm%totalNtwin > 0_pInt) & - ste%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & + stt%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf) !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & - ste%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & + stt%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumftr) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) !ToDo: needed? if (prm%totalNtrans > 0_pInt) & - ste%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & + stt%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumftr) !$OMP END CRITICAL (evilmatmul) !* mean free path between 2 obstacles seen by a moving dislocation do s = 1_pInt,prm%totalNslip if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified - ste%mfp_slip(s,of) = & + stt%mfp_slip(s,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& - (ste%invLambdaSlip(s,of) + ste%invLambdaSlipTwin(s,of) + ste%invLambdaSlipTrans(s,of))) + (stt%invLambdaSlip(s,of) + stt%invLambdaSlipTwin(s,of) + stt%invLambdaSlipTrans(s,of))) else - ste%mfp_slip(s,of) = & + stt%mfp_slip(s,of) = & prm%GrainSize/& - (1.0_pReal+prm%GrainSize*(ste%invLambdaSlip(s,of))) !!!!!! correct? + (1.0_pReal+prm%GrainSize*(stt%invLambdaSlip(s,of))) !!!!!! correct? endif enddo !* mean free path between 2 obstacles seen by a growing twin/martensite - ste%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*ste%invLambdaTwin(:,of)) - ste%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*ste%invLambdaTrans(:,of)) + stt%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*stt%invLambdaTwin(:,of)) + stt%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*stt%invLambdaTrans(:,of)) !* threshold stress for dislocation motion - forall (s = 1_pInt:prm%totalNslip) ste%threshold_stress_slip(s,of) = & + forall (s = 1_pInt:prm%totalNslip) stt%threshold_stress_slip(s,of) = & lattice_mu(ph)*prm%burgers_slip(s)*& - sqrt(dot_product(ste%rhoEdge(1_pInt:prm%totalNslip,of)+ste%rhoEdgeDip(1_pInt:prm%totalNslip,of),& + sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),& prm%interaction_SlipSlip(s,1:prm%totalNslip))) !* threshold stress for growing twin/martensite - ste%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & + stt%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & (sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*lattice_mu(ph)/ & (prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct? - ste%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & + stt%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*lattice_mu(ph)/& (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) ! final volume after growth - ste%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*ste%mfp_twin(:,of)**2.0_pReal - ste%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*ste%mfp_trans(:,of)**2.0_pReal + stt%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*stt%mfp_twin(:,of)**2.0_pReal + stt%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*stt%mfp_trans(:,of)**2.0_pReal @@ -1169,7 +1160,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 - integer(pInt) :: instance,ph,of,j,k,l,m,n,s1,s2 + integer(pInt) :: ph,of,j,k,l,m,n,s1,s2,instance real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,& StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & Ndot0_trans,StressRatio_s, & @@ -1204,73 +1195,66 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(3,3) :: & S !< Second-Piola Kirchhoff stress - type(tParameters) :: prm - - !* Shortened notation - of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) + type(tParameters) :: prm !< parameters of present instance + type(tDislotwinState) :: ste !< state of present instance + of = phasememberAt(ipc,ip,el) + ph = material_phase(ipc,ip,el) + instance = phase_plasticityInstance(ph) + + associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) + + sumf = sum(stt%twinFraction(1:prm%totalNtwin,of)) + sumftr = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & + + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) Lp = 0.0_pReal - dLp_dS = 0.0_pReal - + dLp_dS = 0.0_pReal S = math_Mandel6to33(Tstar_v) - associate(prm => param(instance)) -!-------------------------------------------------------------------------------------------------- -! Dislocation glide part - slipSystems: do j = 1_pInt, prm%totalNslip + slipContribution: do j = 1_pInt, prm%totalNslip + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - significantSlipStress: if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio =((abs(tau)- state(instance)%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+prm%tau_peierls(j))) + significantSlipStress: if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio = ((abs(tau)- stt%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) ! ToDo: no very helpful - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - gdot_slip(j) = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) & + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + + gdot_slip(j) = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) & * sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau) - - !* Derivatives of shear rates dgdot_dtau = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & - / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & - * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) - else significantSlipStress - gdot_slip(j) = 0.0_pReal - dgdot_dtau = 0.0_pReal - endif significantSlipStress - - Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) - enddo slipSystems - -!-------------------------------------------------------------------------------------------------- -! correct Lp and dLp_dS for twinned and transformed fraction - !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 + / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & + * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) - !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) - Lp = Lp * (1.0_pReal - sumf - sumftr) + Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtau * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) + else significantSlipStress + gdot_slip(j) = 0.0_pReal + endif significantSlipStress + + enddo slipContribution + + !ToDo: Why do this before shear banding? + Lp = Lp * (1.0_pReal - sumf - sumftr) dLp_dS = dLp_dS * (1.0_pReal - sumf - sumftr) -!-------------------------------------------------------------------------------------------------- -! Shear banding (shearband) part - if(dNeq0(prm%sbVelocity)) then - BoltzmannRatio = prm%sbQedge/(kB*Temperature) + shearBanding: if(dNeq0(prm%sbVelocity)) then + + BoltzmannRatio = prm%sbQedge/(kB*Temperature) call math_eigenValuesVectorsSym(S,eigValues,eigVectors,error) + do j = 1_pInt,6_pInt sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) sb_Smatrix = math_tensorproduct33(sb_s,sb_m) sbSv(1:6,j,ipc,ip,el) = math_Mandel33to6(math_symmetric33(sb_Smatrix)) - - !* Calculation of Lp - !* Resolved shear stress on shear banding system + tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) !* Stress ratios @@ -1290,18 +1274,22 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + dgdot_dtau * sb_Smatrix(k,l) * sb_Smatrix(m,n) enddo - end if + + endif shearBanding - twinSystems: do j = 1_pInt, prm%totalNtwin + twinContibution: do j = 1_pInt, prm%totalNtwin + tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + significantTwinStress: if (tau > tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau)**prm%r(j) + StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j) + isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_twin*prm%burgers_slip(j))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau))) @@ -1311,30 +1299,32 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature else isFCCtwin Ndot0_twin=prm%Ndot0_twin(j) endif isFCCtwin - gdot_twin = (1.0_pReal-sumf-sumftr)* prm%shear_twin(j) * state(instance)%twinVolume(j,of) & + + gdot_twin = (1.0_pReal-sumf-sumftr)* prm%shear_twin(j) * stt%twinVolume(j,of) & * Ndot0_twin*exp(-StressRatio_r) dgdot_dtau = ((gdot_twin*prm%r(j))/tau)*StressRatio_r - else significantTwinStress - gdot_twin = 0.0_pReal - dgdot_dtau = 0.0_pReal - endif significantTwinStress - - Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,j) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) - enddo twinSystems - transSystems: do j = 1_pInt, prm%totalNtrans + Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,j) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtau* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) + endif significantTwinStress + + enddo twinContibution + + transConstribution: do j = 1_pInt, prm%totalNtrans + tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) + significantTransStress: if (tau > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau)**prm%s(j) + StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j) + isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau < tau_r_trans(j,instance)) then - Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& !!!!! correct? - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& + Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_trans*prm%burgers_slip(j))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(tau_r_trans(j,instance)-tau))) else @@ -1343,19 +1333,19 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature else isFCCtrans Ndot0_trans=prm%Ndot0_trans(j) endif isFCCtrans - gdot_trans = (1.0_pReal-sumf-sumftr)* state(instance)%martensiteVolume(j,of) & + + gdot_trans = (1.0_pReal-sumf-sumftr)* stt%martensiteVolume(j,of) & * Ndot0_trans*exp(-StressRatio_s) dgdot_dtau = ((gdot_trans*prm%s(j))/tau)*StressRatio_s - else significantTransStress - gdot_trans = 0.0_pReal - dgdot_dtau = 0.0_pReal + Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j) + + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtau * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j) endif significantTransStress - Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j) - enddo transSystems + enddo transConstribution + end associate dLp_dTstar99 = math_Plain3333to99(dLp_dS) @@ -1409,59 +1399,64 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) real(pReal), dimension(3,3) :: & S !< Second-Piola Kirchhoff stress type(tParameters) :: prm + type(tDislotwinState) :: stt, dst !* Shortened notation of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) + ph = material_phase(ipc,ip,el) S = math_Mandel6to33(Tstar_v) - associate(prm => param(instance)) - !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 plasticState(ph)%dotState(:,of) = 0.0_pReal + + associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & + dst => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el)))) + + sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) + sumftr = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - !* Total transformed volume fraction - sumftr = sum(state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of)) - - slipSystems: do j = 1_pInt, prm%totalNslip + slipState: do j = 1_pInt, prm%totalNslip + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - significantSlipStress1: if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio =((abs(tau)- state(instance)%threshold_stress_slip(j,of))/& + + significantSlipStress1: if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio =((abs(tau)- stt%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - gdot_slip(j) = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)*prm%v0(j) & + gdot_slip(j) = stt%rhoEdge(j,of)*prm%burgers_slip(j)*prm%v0(j) & * sign(exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(j)),tau) else significantSlipStress1 gdot_slip(j) = 0.0_pReal endif significantSlipStress1 - DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*state(instance)%mfp_slip(j,of)) + DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*stt%mfp_slip(j,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(j) + significantSlipStress2: if (dEq0(tau)) then DotRhoDipFormation = 0.0_pReal else significantSlipStress2 EdgeDipDistance = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& (16.0_pReal*PI*abs(tau)) - if (EdgeDipDistance>state(instance)%mfp_slip(j,of)) EdgeDipDistance=state(instance)%mfp_slip(j,of) + if (EdgeDipDistance>stt%mfp_slip(j,of)) EdgeDipDistance=stt%mfp_slip(j,of) if (EdgeDipDistance tol_math_check) then - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau)**prm%r(j) + StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j) isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_twin*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (tau_r_twin(j,instance)-tau))) else @@ -1497,22 +1494,25 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else isFCCtwin Ndot0_twin=prm%Ndot0_twin(j) endif isFCCtwin - dotState(instance)%twinFraction(j,of) = (1.0_pReal-sumf-sumftr)*& - state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dotState(instance)%accshear_twin(j,of) = dotState(instance)%twinFraction(j,of) * prm%shear_twin(j) + dst%twinFraction(j,of) = (1.0_pReal-sumf-sumftr)*& + stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) + dst%accshear_twin(j,of) = dst%twinFraction(j,of) * prm%shear_twin(j) endif significantTwinStress - enddo twinSystems + + enddo twinState + + transState: do j = 1_pInt, prm%totalNtrans - transSystems: do j = 1_pInt, prm%totalNtrans tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) - significantTransStress: if (tau > tol_math_check) then - StressRatio_s = (state(instance)%threshold_stress_trans(j,of)/tau)**prm%s(j) + + significantTransStress: if (tau > tol_math_check) then + StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j) isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau < tau_r_trans(j,instance)) then - Ndot0_trans=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& + Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_trans*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (tau_r_trans(j,instance)-tau))) else @@ -1521,13 +1521,14 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else isFCCtrans Ndot0_trans=prm%Ndot0_trans(j) endif isFCCtrans - dotState(instance)%strainTransFraction(j,of) = (1.0_pReal-sumf-sumftr)*& - state(instance)%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) + dst%strainTransFraction(j,of) = (1.0_pReal-sumf-sumftr)*& + stt%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) !* Dotstate for accumulated shear due to transformation - !dotState(instance)%accshear_trans(j,of) = dotState(instance)%strainTransFraction(j,of) * & + !dst%accshear_trans(j,of) = dst%strainTransFraction(j,of) * & ! lattice_sheartrans(index_myfamily+i,ph) endif significantTransStress - enddo transSystems + + enddo transState end associate end subroutine plastic_dislotwin_dotState @@ -1542,25 +1543,17 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos tol_math_check, & dEq0 use math, only: & - pi, & + PI, & math_mul33xx33, & - math_Mandel6to33, & - math_eigenValuesSym33, & - math_eigenValuesVectorsSym33 + math_Mandel6to33 use material, only: & material_phase, & plasticState, & phase_plasticityInstance,& phaseAt, phasememberAt use lattice, only: & - lattice_Sslip, & - lattice_Stwin, & - lattice_NslipSystem, & - lattice_NtwinSystem, & - lattice_shearTwin, & lattice_mu, & lattice_structure, & - lattice_fcc_twinNucleationSlipPair, & LATTICE_fcc_ID implicit none @@ -1577,7 +1570,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos postResults integer(pInt) :: & instance,& - f,o,i,c,j,index_myFamily,& + o,c,j,& s1,s2, & ph, & of @@ -1585,12 +1578,11 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos stressRatio real(preal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & gdot_slip - real(pReal), dimension(3,3) :: eigVectors - real(pReal), dimension (3) :: eigValues real(pReal), dimension(3,3) :: & S !< Second-Piola Kirchhoff stress type(tParameters) :: prm + type(tDislotwinState) :: stt !* Shortened notation of = phasememberAt(ipc,ip,el) @@ -1599,9 +1591,10 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos S = math_Mandel6to33(Tstar_v) - associate(prm => param(instance)) + associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) !* Total twin volume fraction - sumf = sum(state(instance)%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 + sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 !* Required output c = 0_pInt @@ -1610,24 +1603,19 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos select case(prm%outputID(o)) case (edge_density_ID) - postResults(c+1_pInt:c+prm%totalNslip) = state(instance)%rhoEdge(1_pInt:prm%totalNslip,of) + postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdge(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (dipole_density_ID) - postResults(c+1_pInt:c+prm%totalNslip) = state(instance)%rhoEdgeDip(1_pInt:prm%totalNslip,of) + postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (shear_rate_slip_ID) - j = 0_pInt - do f = 1_pInt,size(prm%Nslip,1) ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family - j = j + 1_pInt ! could be taken from state by now! - + do j = 1_pInt, prm%totalNslip !* Resolved shear stress on slip system - tau = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) !* Stress ratios - if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios - stressRatio = ((abs(tau)-state(ph)%threshold_stress_slip(j,of))/& + stressRatio = ((abs(tau)-stt%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) @@ -1635,7 +1623,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos !* Boltzmann ratio BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates - DotGamma0 = state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) + DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) !* Shear rates due to slip postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& @@ -1644,44 +1632,34 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos postResults(c+j) = 0.0_pReal endif - enddo ; enddo + enddo c = c + prm%totalNslip case (accumulated_shear_slip_ID) postResults(c+1_pInt:c+prm%totalNslip) = & - state(instance)%accshear_slip(1_pInt:prm%totalNslip,of) + stt%accshear_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (mfp_slip_ID) postResults(c+1_pInt:c+prm%totalNslip) =& - state(instance)%mfp_slip(1_pInt:prm%totalNslip,of) + stt%mfp_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (resolved_stress_slip_ID) - j = 0_pInt - do f = 1_pInt,size(prm%Nslip,1) ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family - j = j + 1_pInt - postResults(c+j) =& - math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) - enddo; enddo + do j = 1_pInt, prm%totalNslip + postResults(c+j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + enddo c = c + prm%totalNslip case (threshold_stress_slip_ID) postResults(c+1_pInt:c+prm%totalNslip) = & - state(instance)%threshold_stress_slip(1_pInt:prm%totalNslip,of) + stt%threshold_stress_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (edge_dipole_distance_ID) - j = 0_pInt - do f = 1_pInt,size(prm%Nslip,1) ! loop over all slip families - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family - j = j + 1_pInt + do j = 1_pInt, prm%totalNslip postResults(c+j) = & (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& - (16.0_pReal*pi*abs(math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)))) - postResults(c+j)=min(postResults(c+j),& - state(instance)%mfp_slip(j,of)) + (16.0_pReal*PI*abs(math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)))) + postResults(c+j)=min(postResults(c+j),stt%mfp_slip(j,of)) ! postResults(c+j)=max(postResults(c+j),& ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) - enddo; enddo + enddo c = c + prm%totalNslip case (resolved_stress_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearband families @@ -1690,50 +1668,43 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos c = c + 6_pInt case (shear_rate_shearband_ID) do j = 1_pInt,6_pInt ! loop over all shearbands - !* Resolved shear stress on shearband system - tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) - !* Stress ratios - if (abs(tau) < tol_math_check) then - StressRatio_p = 0.0_pReal - StressRatio_pminus1 = 0.0_pReal - else - StressRatio_p = (abs(tau)/prm%sbResistance)**& - prm%pShearBand - StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**& - (prm%pShearBand-1.0_pReal) - endif - !* Boltzmann ratio - BoltzmannRatio = prm%sbQedge/(kB*Temperature) - !* Initial shear rates - DotGamma0 = prm%sbVelocity - ! Shear rate due to shear band - postResults(c+j) = & - DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& - sign(1.0_pReal,tau) + !* Resolved shear stress on shearband system + tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + !* Stress ratios + if (abs(tau) < tol_math_check) then + StressRatio_p = 0.0_pReal + StressRatio_pminus1 = 0.0_pReal + else + StressRatio_p = (abs(tau)/prm%sbResistance)**& + prm%pShearBand + StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**& + (prm%pShearBand-1.0_pReal) + endif + !* Boltzmann ratio + BoltzmannRatio = prm%sbQedge/(kB*Temperature) + !* Initial shear rates + DotGamma0 = prm%sbVelocity + ! Shear rate due to shear band + postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& + sign(1.0_pReal,tau) enddo c = c + 6_pInt case (twin_fraction_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%twinFraction(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%twinFraction(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (shear_rate_twin_ID) - if (prm%totalNtwin > 0_pInt) then - - j = 0_pInt - do f = 1_pInt,size(prm%Nslip,1) - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family - j = j + 1_pInt + do j = 1_pInt, prm%totalNslip !* Resolved shear stress on slip system - tau = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) !* Stress ratios - if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios - StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& + StressRatio_p = ((abs(tau)-stt%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& **prm%p(j) - StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& + StressRatio_pminus1 = ((abs(tau)-stt%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& **(prm%p(j)-1.0_pReal) @@ -1741,7 +1712,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & + stt%rhoEdge(j,of)*prm%burgers_slip(j)* & prm%v0(j) !* Shear rates due to slip @@ -1750,26 +1721,20 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos else gdot_slip(j) = 0.0_pReal endif - enddo;enddo + enddo - j = 0_pInt - do f = 1_pInt,size(prm%Ntwin,1) - index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1,prm%Ntwin(f) ! process each (active) twin system in family - j = j + 1_pInt + do j = 1_pInt, prm%totalNtwin - tau = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) + tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) - - !* Shear rates due to twin if ( tau > 0.0_pReal ) then select case(lattice_structure(ph)) case (LATTICE_fcc_ID) - s1=lattice_fcc_twinNucleationSlipPair(1,index_myFamily+i) - s2=lattice_fcc_twinNucleationSlipPair(2,index_myFamily+i) + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) if (tau < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(state(instance)%rhoEdge(s2,of)+state(instance)%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(state(instance)%rhoEdge(s1,of)+state(instance)%rhoEdgeDip(s1,of)))/& + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_twin*& prm%burgers_slip(j))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& @@ -1780,52 +1745,39 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos case default Ndot0_twin=prm%Ndot0_twin(j) end select - StressRatio_r = (state(instance)%threshold_stress_twin(j,of)/tau) & + StressRatio_r = (stt%threshold_stress_twin(j,of)/tau) & **prm%r(j) - postResults(c+j) = & - (prm%MaxTwinFraction-sumf)*lattice_shearTwin(index_myFamily+i,ph)*& - state(instance)%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) + postResults(c+j) = (prm%MaxTwinFraction-sumf)*prm%shear_twin(j) * & + stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) endif - enddo ; enddo - endif + enddo c = c + prm%totalNtwin case (accumulated_shear_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%accshear_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%accshear_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (mfp_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%mfp_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%mfp_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (resolved_stress_twin_ID) - if (prm%totalNtwin > 0_pInt) then - j = 0_pInt - do f = 1_pInt,size(prm%Ntwin,1) - index_myFamily = sum(lattice_NtwinSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Ntwin(f) ! process each (active) slip system in family - j = j + 1_pInt - postResults(c+j) = math_mul33xx33(S,lattice_Stwin(1:3,1:3,index_myFamily+i,ph)) - enddo; enddo - endif + do j = 1_pInt, prm%totalNtwin + postResults(c+j) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + enddo c = c + prm%totalNtwin case (threshold_stress_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = state(instance)%threshold_stress_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%threshold_stress_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (stress_exponent_ID) - j = 0_pInt - do f = 1_pInt,size(prm%Nslip,1) - index_myFamily = sum(lattice_NslipSystem(1:f-1_pInt,ph)) ! at which index starts my family - do i = 1_pInt,prm%Nslip(f) ! process each (active) slip system in family - j = j + 1_pInt + do j = 1_pInt, prm%totalNslip - !* Resolved shear stress on slip system - tau = math_mul33xx33(S,lattice_Sslip(1:3,1:3,1,index_myFamily+i,ph)) - if((abs(tau)-state(instance)%threshold_stress_slip(j,of)) > tol_math_check) then + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then !* Stress ratios - StressRatio_p = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& + StressRatio_p = ((abs(tau)-stt%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& **prm%p(j) - StressRatio_pminus1 = ((abs(tau)-state(instance)%threshold_stress_slip(j,of))/& + StressRatio_pminus1 = ((abs(tau)-stt%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& **(prm%p(j)-1.0_pReal) @@ -1833,7 +1785,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) !* Initial shear rates DotGamma0 = & - state(instance)%rhoEdge(j,of)*prm%burgers_slip(j)* & + stt%rhoEdge(j,of)*prm%burgers_slip(j)* & prm%v0(j) !* Shear rates due to slip @@ -1854,29 +1806,22 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos endif !* Stress exponent - postResults(c+j) = & - merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j))) - enddo ; enddo + postResults(c+j) = merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j))) + enddo c = c + prm%totalNslip - case (sb_eigenvalues_ID) - postResults(c+1_pInt:c+3_pInt) = math_eigenvaluesSym33(S) - c = c + 3_pInt - case (sb_eigenvectors_ID) - call math_eigenValuesVectorsSym33(S,eigValues,eigVectors) - postResults(c+1_pInt:c+9_pInt) = reshape(eigVectors,[9]) - c = c + 9_pInt + case (stress_trans_fraction_ID) postResults(c+1_pInt:c+prm%totalNtrans) = & - state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of) + stt%stressTransFraction(1_pInt:prm%totalNtrans,of) c = c + prm%totalNtrans case (strain_trans_fraction_ID) postResults(c+1_pInt:c+prm%totalNtrans) = & - state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of) + stt%strainTransFraction(1_pInt:prm%totalNtrans,of) c = c + prm%totalNtrans case (trans_fraction_ID) postResults(c+1_pInt:c+prm%totalNtrans) = & - state(instance)%stressTransFraction(1_pInt:prm%totalNtrans,of) + & - state(instance)%strainTransFraction(1_pInt:prm%totalNtrans,of) + stt%stressTransFraction(1_pInt:prm%totalNtrans,of) + & + stt%strainTransFraction(1_pInt:prm%totalNtrans,of) c = c + prm%totalNtrans end select enddo From 4fbe5811a3c6255775b419689721f74727ebcf6d Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 1 Sep 2018 11:08:38 +0200 Subject: [PATCH 046/143] too much whitespace --- src/plastic_dislotwin.f90 | 379 +++++++++++++++++--------------------- 1 file changed, 165 insertions(+), 214 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 766507185..a7c2a6667 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1593,237 +1593,188 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) - !* Total twin volume fraction + sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 - !* Required output c = 0_pInt postResults = 0.0_pReal do o = 1_pInt,size(prm%outputID) - select case(prm%outputID(o)) + select case(prm%outputID(o)) - case (edge_density_ID) - postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdge(1_pInt:prm%totalNslip,of) - c = c + prm%totalNslip - case (dipole_density_ID) - postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) - c = c + prm%totalNslip - case (shear_rate_slip_ID) - do j = 1_pInt, prm%totalNslip - !* Resolved shear stress on slip system - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - !* Stress ratios - if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - stressRatio = ((abs(tau)-stt%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+& - prm%tau_peierls(j))) - StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) + case (edge_density_ID) + postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdge(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (dipole_density_ID) + postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (shear_rate_slip_ID) + do j = 1_pInt, prm%totalNslip + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+& + prm%tau_peierls(j))) + StressRatio_p = stressRatio** prm%p(j) + StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + + DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - !* Shear rates due to slip - postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%q(j))*sign(1.0_pReal,tau) - else - postResults(c+j) = 0.0_pReal - endif - + postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + prm%q(j))*sign(1.0_pReal,tau) + else + postResults(c+j) = 0.0_pReal + endif + enddo + c = c + prm%totalNslip + case (accumulated_shear_slip_ID) + postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (mfp_slip_ID) + postResults(c+1_pInt:c+prm%totalNslip) = stt%mfp_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (resolved_stress_slip_ID) + do j = 1_pInt, prm%totalNslip + postResults(c+j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + enddo + c = c + prm%totalNslip + case (threshold_stress_slip_ID) + postResults(c+1_pInt:c+prm%totalNslip) = stt%threshold_stress_slip(1_pInt:prm%totalNslip,of) + c = c + prm%totalNslip + case (edge_dipole_distance_ID) + do j = 1_pInt, prm%totalNslip + postResults(c+j) = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j)) & + / (16.0_pReal*PI*abs(math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)))) + postResults(c+j)=min(postResults(c+j),stt%mfp_slip(j,of)) + ! postResults(c+j)=max(postResults(c+j),& + ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) + enddo + c = c + prm%totalNslip + case (resolved_stress_shearband_ID) + do j = 1_pInt,6_pInt ! loop over all shearband families + postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) enddo - c = c + prm%totalNslip - case (accumulated_shear_slip_ID) - postResults(c+1_pInt:c+prm%totalNslip) = & - stt%accshear_slip(1_pInt:prm%totalNslip,of) - c = c + prm%totalNslip - case (mfp_slip_ID) - postResults(c+1_pInt:c+prm%totalNslip) =& - stt%mfp_slip(1_pInt:prm%totalNslip,of) - c = c + prm%totalNslip - case (resolved_stress_slip_ID) - do j = 1_pInt, prm%totalNslip - postResults(c+j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - enddo - c = c + prm%totalNslip - case (threshold_stress_slip_ID) - postResults(c+1_pInt:c+prm%totalNslip) = & - stt%threshold_stress_slip(1_pInt:prm%totalNslip,of) - c = c + prm%totalNslip - case (edge_dipole_distance_ID) - do j = 1_pInt, prm%totalNslip - postResults(c+j) = & - (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& - (16.0_pReal*PI*abs(math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)))) - postResults(c+j)=min(postResults(c+j),stt%mfp_slip(j,of)) - ! postResults(c+j)=max(postResults(c+j),& - ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) - enddo - c = c + prm%totalNslip - case (resolved_stress_shearband_ID) - do j = 1_pInt,6_pInt ! loop over all shearband families - postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) - enddo - c = c + 6_pInt - case (shear_rate_shearband_ID) - do j = 1_pInt,6_pInt ! loop over all shearbands - !* Resolved shear stress on shearband system - tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) - !* Stress ratios - if (abs(tau) < tol_math_check) then - StressRatio_p = 0.0_pReal - StressRatio_pminus1 = 0.0_pReal - else - StressRatio_p = (abs(tau)/prm%sbResistance)**& - prm%pShearBand - StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**& - (prm%pShearBand-1.0_pReal) - endif - !* Boltzmann ratio - BoltzmannRatio = prm%sbQedge/(kB*Temperature) - !* Initial shear rates - DotGamma0 = prm%sbVelocity - ! Shear rate due to shear band - postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& - sign(1.0_pReal,tau) - enddo c = c + 6_pInt - case (twin_fraction_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = stt%twinFraction(1_pInt:prm%totalNtwin,of) - c = c + prm%totalNtwin - case (shear_rate_twin_ID) - do j = 1_pInt, prm%totalNslip - - !* Resolved shear stress on slip system - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - !* Stress ratios - if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - StressRatio_p = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + case (shear_rate_shearband_ID) + do j = 1_pInt,6_pInt ! loop over all shearbands + tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + if (abs(tau) < tol_math_check) then + StressRatio_p = 0.0_pReal + StressRatio_pminus1 = 0.0_pReal + else + StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand + StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) + endif + BoltzmannRatio = prm%sbQedge/(kB*Temperature) + DotGamma0 = prm%sbVelocity + postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& + sign(1.0_pReal,tau) + enddo + c = c + 6_pInt + case (twin_fraction_ID) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%twinFraction(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin + case (shear_rate_twin_ID) + do j = 1_pInt, prm%totalNslip + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then + StressRatio_p = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+& + prm%tau_peierls(j)))& + **prm%p(j) + StressRatio_pminus1 = ((abs(tau)-stt%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& - **prm%p(j) - StressRatio_pminus1 = ((abs(tau)-stt%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+& - prm%tau_peierls(j)))& - **(prm%p(j)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & - stt%rhoEdge(j,of)*prm%burgers_slip(j)* & - prm%v0(j) + **(prm%p(j)-1.0_pReal) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%q(j))*sign(1.0_pReal,tau) - else - gdot_slip(j) = 0.0_pReal - endif - enddo + gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + prm%q(j))*sign(1.0_pReal,tau) + else + gdot_slip(j) = 0.0_pReal + endif + enddo - do j = 1_pInt, prm%totalNtwin + do j = 1_pInt, prm%totalNtwin + tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) - tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) - - if ( tau > 0.0_pReal ) then - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=prm%fcc_twinNucleationSlipPair(1,j) - s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& - (prm%L0_twin*& - prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau))) - else - Ndot0_twin=0.0_pReal - end if - case default - Ndot0_twin=prm%Ndot0_twin(j) - end select - StressRatio_r = (stt%threshold_stress_twin(j,of)/tau) & - **prm%r(j) - postResults(c+j) = (prm%MaxTwinFraction-sumf)*prm%shear_twin(j) * & - stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - endif - - enddo - c = c + prm%totalNtwin - case (accumulated_shear_twin_ID) + if ( tau > 0.0_pReal ) then + select case(lattice_structure(ph)) + case (LATTICE_fcc_ID) + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) + if (tau < tau_r_twin(j,instance)) then + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_twin* prm%burgers_slip(j))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)* (tau_r_twin(j,instance)-tau))) + else + Ndot0_twin=0.0_pReal + end if + case default + Ndot0_twin=prm%Ndot0_twin(j) + end select + StressRatio_r = (stt%threshold_stress_twin(j,of)/tau) **prm%r(j) + postResults(c+j) = (prm%MaxTwinFraction-sumf)*prm%shear_twin(j) & + * stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) + endif + enddo + c = c + prm%totalNtwin + case (accumulated_shear_twin_ID) postResults(c+1_pInt:c+prm%totalNtwin) = stt%accshear_twin(1_pInt:prm%totalNtwin,of) - c = c + prm%totalNtwin - case (mfp_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = stt%mfp_twin(1_pInt:prm%totalNtwin,of) - c = c + prm%totalNtwin - case (resolved_stress_twin_ID) - do j = 1_pInt, prm%totalNtwin - postResults(c+j) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) - enddo - c = c + prm%totalNtwin - case (threshold_stress_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = stt%threshold_stress_twin(1_pInt:prm%totalNtwin,of) - c = c + prm%totalNtwin - case (stress_exponent_ID) - do j = 1_pInt, prm%totalNslip + c = c + prm%totalNtwin + case (mfp_twin_ID) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%mfp_twin(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin + case (resolved_stress_twin_ID) + do j = 1_pInt, prm%totalNtwin + postResults(c+j) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + enddo + c = c + prm%totalNtwin + case (threshold_stress_twin_ID) + postResults(c+1_pInt:c+prm%totalNtwin) = stt%threshold_stress_twin(1_pInt:prm%totalNtwin,of) + c = c + prm%totalNtwin + case (stress_exponent_ID) + do j = 1_pInt, prm%totalNslip + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then + StressRatio_p = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+& + prm%tau_peierls(j)))& + **prm%p(j) + StressRatio_pminus1 = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + (prm%SolidSolutionStrength+& + prm%tau_peierls(j)))& + **(prm%p(j)-1.0_pReal) + BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then - !* Stress ratios - StressRatio_p = ((abs(tau)-stt%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+& - prm%tau_peierls(j)))& - **prm%p(j) - StressRatio_pminus1 = ((abs(tau)-stt%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+& - prm%tau_peierls(j)))& - **(prm%p(j)-1.0_pReal) - !* Boltzmann ratio - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - !* Initial shear rates - DotGamma0 = & - stt%rhoEdge(j,of)*prm%burgers_slip(j)* & - prm%v0(j) + gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& + prm%q(j))*sign(1.0_pReal,tau) - !* Shear rates due to slip - gdot_slip(j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%q(j))*sign(1.0_pReal,tau) - - !* Derivatives of shear rates - dgdot_dtauslip = & - abs(gdot_slip(j))*BoltzmannRatio*prm%p(j)& - *prm%q(j)/& - (prm%SolidSolutionStrength+& - prm%tau_peierls(j))*& - StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) - - else - gdot_slip(j) = 0.0_pReal - dgdot_dtauslip = 0.0_pReal - endif - - !* Stress exponent - postResults(c+j) = merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j))) - enddo - c = c + prm%totalNslip - - case (stress_trans_fraction_ID) - postResults(c+1_pInt:c+prm%totalNtrans) = & - stt%stressTransFraction(1_pInt:prm%totalNtrans,of) - c = c + prm%totalNtrans - case (strain_trans_fraction_ID) - postResults(c+1_pInt:c+prm%totalNtrans) = & - stt%strainTransFraction(1_pInt:prm%totalNtrans,of) - c = c + prm%totalNtrans - case (trans_fraction_ID) - postResults(c+1_pInt:c+prm%totalNtrans) = & - stt%stressTransFraction(1_pInt:prm%totalNtrans,of) + & - stt%strainTransFraction(1_pInt:prm%totalNtrans,of) - c = c + prm%totalNtrans - end select + dgdot_dtauslip = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) *prm%q(j)/& + (prm%SolidSolutionStrength+ prm%tau_peierls(j))*& + StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) + else + gdot_slip(j) = 0.0_pReal + dgdot_dtauslip = 0.0_pReal + endif + postResults(c+j) = merge(0.0_pReal,(tau/gdot_slip(j))*dgdot_dtauslip,dEq0(gdot_slip(j))) + enddo + c = c + prm%totalNslip + case (stress_trans_fraction_ID) + postResults(c+1_pInt:c+prm%totalNtrans) = & + stt%stressTransFraction(1_pInt:prm%totalNtrans,of) + c = c + prm%totalNtrans + case (strain_trans_fraction_ID) + postResults(c+1_pInt:c+prm%totalNtrans) = stt%strainTransFraction(1_pInt:prm%totalNtrans,of) + c = c + prm%totalNtrans + case (trans_fraction_ID) !ToDo: deprecated + postResults(c+1_pInt:c+prm%totalNtrans) = stt%stressTransFraction(1_pInt:prm%totalNtrans,of) & + + stt%strainTransFraction(1_pInt:prm%totalNtrans,of) + c = c + prm%totalNtrans + end select enddo end associate end function plastic_dislotwin_postResults From 038508aa117ed4bf26b45d8328a6c71b94fe4d0c Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 5 Sep 2018 11:07:00 +0200 Subject: [PATCH 047/143] 'dependent states' do not need to be accessible globally --- src/plastic_dislotwin.f90 | 108 ++++++++++++++++++++------------------ 1 file changed, 58 insertions(+), 50 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index a7c2a6667..ec7026d3e 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -21,12 +21,9 @@ module plastic_dislotwin ! START: Do something here real(pReal), dimension(:,:), allocatable, private :: & tau_r_twin, & !< stress to bring partial close together for each twin system and instance - tau_r_trans !< stress to bring partial close together for each trans system and instance + tau_r_trans !< stress to bring partial close together for each trans system and instance real(pReal), dimension(:,:,:), allocatable, private :: & - forestProjectionEdge, & !< matrix of forest projections of edge dislocations for each instance - projectionMatrix_Trans !< matrix for projection of slip system shear on fault band (twin) systems for each instance - real(pReal), dimension(:,:,:,:,:), allocatable, private :: & - sbSv + forestProjectionEdge !< matrix of forest projections of edge dislocations for each instance ! END: Do something here enum, bind(c) @@ -161,7 +158,27 @@ module plastic_dislotwin threshold_stress_trans, & twinVolume, & martensiteVolume - end type + end type tDislotwinState + + type, private :: tDislotwinMicrostructure + + real(pReal), pointer, dimension(:,:) :: & + invLambdaSlip, & + invLambdaSlipTwin, & + invLambdaTwin, & + invLambdaSlipTrans, & + invLambdaTrans, & + mfp_slip, & + mfp_twin, & + mfp_trans, & + threshold_stress_slip, & + threshold_stress_twin, & + threshold_stress_trans, & + twinVolume, & + martensiteVolume, & + tau_r_twin, & + tau_r_trans + end type tDislotwinMicrostructure type(tDislotwinState), allocatable, dimension(:), private :: & state, & @@ -287,8 +304,6 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(state(maxNinstance)) allocate(dotState(maxNinstance)) - allocate(sbSv(6,6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) - do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle instance = phase_plasticityInstance(p) @@ -564,7 +579,6 @@ subroutine plastic_dislotwin_init(fileUnit) enddo ! ToDo: this works only for one instance! allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal) - allocate(projectionMatrix_Trans(prm%totalNtrans,prm%totalNslip,maxNinstance), source=0.0_pReal) initializeInstances: do p = 1_pInt, size(phase_plasticity) @@ -1170,7 +1184,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & gdot_slip real(pReal):: gdot_sb,gdot_twin,gdot_trans - real(pReal), dimension(3,3) :: eigVectors, sb_Smatrix + real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand real(pReal), dimension(3) :: eigValues, sb_s, sb_m logical :: error real(pReal), dimension(3,6), parameter :: & @@ -1244,7 +1258,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Lp = Lp * (1.0_pReal - sumf - sumftr) dLp_dS = dLp_dS * (1.0_pReal - sumf - sumftr) - shearBanding: if(dNeq0(prm%sbVelocity)) then + shearBandingContribution: if(dNeq0(prm%sbVelocity)) then BoltzmannRatio = prm%sbQedge/(kB*Temperature) call math_eigenValuesVectorsSym(S,eigValues,eigVectors,error) @@ -1252,30 +1266,24 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature do j = 1_pInt,6_pInt sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) - sb_Smatrix = math_tensorproduct33(sb_s,sb_m) - sbSv(1:6,j,ipc,ip,el) = math_Mandel33to6(math_symmetric33(sb_Smatrix)) - - tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + Schmid_shearBand = math_tensorproduct33(sb_s,sb_m) + tau = math_mul33xx33(S,Schmid_shearBand) - !* Stress ratios - if (abs(tau) < tol_math_check) then - StressRatio_p = 0.0_pReal - StressRatio_pminus1 = 0.0_pReal - else + significantShearBandStress: if (abs(tau) > tol_math_check) then StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) - endif - gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau) - dgdot_dtau = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) & - * StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) + gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau) + dgdot_dtau = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) & + * StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) - Lp = Lp + gdot_sb*sb_Smatrix - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau * sb_Smatrix(k,l) * sb_Smatrix(m,n) + Lp = Lp + gdot_sb * Schmid_shearBand + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n) + endif significantShearBandStress enddo - endif shearBanding + endif shearBandingContribution twinContibution: do j = 1_pInt, prm%totalNtwin @@ -1650,27 +1658,27 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) enddo c = c + prm%totalNslip - case (resolved_stress_shearband_ID) - do j = 1_pInt,6_pInt ! loop over all shearband families - postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) - enddo - c = c + 6_pInt - case (shear_rate_shearband_ID) - do j = 1_pInt,6_pInt ! loop over all shearbands - tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) - if (abs(tau) < tol_math_check) then - StressRatio_p = 0.0_pReal - StressRatio_pminus1 = 0.0_pReal - else - StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand - StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) - endif - BoltzmannRatio = prm%sbQedge/(kB*Temperature) - DotGamma0 = prm%sbVelocity - postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& - sign(1.0_pReal,tau) - enddo - c = c + 6_pInt + ! case (resolved_stress_shearband_ID) + ! do j = 1_pInt,6_pInt ! loop over all shearband families + ! postResults(c+j) = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + ! enddo + ! c = c + 6_pInt + ! case (shear_rate_shearband_ID) + ! do j = 1_pInt,6_pInt ! loop over all shearbands + ! tau = dot_product(Tstar_v,sbSv(1:6,j,ipc,ip,el)) + ! if (abs(tau) < tol_math_check) then + ! StressRatio_p = 0.0_pReal + ! StressRatio_pminus1 = 0.0_pReal + ! else + ! StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand + ! StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) + ! endif + ! BoltzmannRatio = prm%sbQedge/(kB*Temperature) + ! DotGamma0 = prm%sbVelocity + ! postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand)*& + ! sign(1.0_pReal,tau) + ! enddo + ! c = c + 6_pInt case (twin_fraction_ID) postResults(c+1_pInt:c+prm%totalNtwin) = stt%twinFraction(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin From 97977f4940e48ed2a69db598945d957d2c796ab9 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 5 Sep 2018 15:45:44 +0200 Subject: [PATCH 048/143] all parameters should be stored in the constitutive laws no need to know the 'phase number' anymore --- src/plastic_dislotwin.f90 | 677 ++++++++++++++++++-------------------- 1 file changed, 321 insertions(+), 356 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index ec7026d3e..5a44ad1b3 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -6,7 +6,7 @@ module plastic_dislotwin use prec, only: & pReal, & - pInt + pIntS implicit none private @@ -18,14 +18,6 @@ module plastic_dislotwin real(pReal), parameter, private :: & kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin -! START: Do something here - real(pReal), dimension(:,:), allocatable, private :: & - tau_r_twin, & !< stress to bring partial close together for each twin system and instance - tau_r_trans !< stress to bring partial close together for each trans system and instance - real(pReal), dimension(:,:,:), allocatable, private :: & - forestProjectionEdge !< matrix of forest projections of edge dislocations for each instance -! END: Do something here - enum, bind(c) enumerator :: undefined_ID, & edge_density_ID, & @@ -56,7 +48,11 @@ module plastic_dislotwin integer(kind(undefined_ID)), dimension(:), allocatable, private :: & outputID !< ID of each post result output + logical :: & + isFCC !< twinning and transformation models are for fcc real(pReal) :: & + mu, & + nu, & CAtomicVolume, & !< atomic volume in Bugers vector unit D0, & !< prefactor for self-diffusion coefficient Qsd, & !< activation energy for dislocation climb @@ -106,7 +102,7 @@ module plastic_dislotwin Ndot0_twin, & !< twin nucleation rate [1/m³s] for each twin system and instance Ndot0_trans, & !< trans nucleation rate [1/m³s] for each trans system and instance twinsize, & !< twin thickness [m] for each twin system and instance - CLambdaSlipPerSlipSystem, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance + CLambdaSlip, & !< Adj. parameter for distance between 2 forest dislocations for each slip system and instance lamellarsizePerTransSystem, & !< martensite lamellar thickness [m] for each trans system and instance p, & !< p-exponent in glide velocity q, & !< q-exponent in glide velocity @@ -123,13 +119,15 @@ module plastic_dislotwin interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance integer(pInt), dimension(:,:), allocatable, private :: & fcc_twinNucleationSlipPair - real(pReal), dimension(:,:,:), allocatable :: & + real(pReal), dimension(:,:), allocatable, private :: & + forestProjectionEdge, & + C66 + real(pReal), dimension(:,:,:), allocatable, private :: & Schmid_trans, & Schmid_slip, & - Schmid_twin - real(pReal), dimension(:,:,:), allocatable, private :: & - Ctwin66, & - Ctrans66 + Schmid_twin, & + C66_twin, & + C66_trans end type type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance) @@ -161,8 +159,7 @@ module plastic_dislotwin end type tDislotwinState type, private :: tDislotwinMicrostructure - - real(pReal), pointer, dimension(:,:) :: & + real(pReal), allocatable, dimension(:,:) :: & invLambdaSlip, & invLambdaSlipTwin, & invLambdaTwin, & @@ -176,13 +173,15 @@ module plastic_dislotwin threshold_stress_trans, & twinVolume, & martensiteVolume, & - tau_r_twin, & - tau_r_trans + tau_r_twin, & !< stress to bring partial close together for each twin system and instance + tau_r_trans !< stress to bring partial close together for each trans system and instance end type tDislotwinMicrostructure type(tDislotwinState), allocatable, dimension(:), private :: & state, & dotState + type(tDislotwinMicrostructure), allocatable, dimension(:), private :: & + microstructure public :: & plastic_dislotwin_init, & @@ -266,7 +265,7 @@ subroutine plastic_dislotwin_init(fileUnit) TwinVolume0,& MartensiteVolume0 - real(pReal), allocatable, dimension(:,:) :: temp1,temp2,temp3 + real(pReal), allocatable, dimension(:,:) :: temp1,temp2,temp3 character(len=65536) :: & tag = '' @@ -277,7 +276,8 @@ subroutine plastic_dislotwin_init(fileUnit) character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::] - type(tParameters),pointer :: prm + type(tParameters) :: prm + type(tDislotwinMicrostructure) :: mse write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' @@ -303,43 +303,46 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(param(maxNinstance)) allocate(state(maxNinstance)) allocate(dotState(maxNinstance)) + allocate(microstructure(maxNinstance)) do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle instance = phase_plasticityInstance(p) - prm => param(instance) - + associate(prm => param(instance)) + + prm%isFCC = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) + prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyInt) if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') if (any(lattice_NslipSystem(1:size(prm%Nslip),p)-prm%Nslip < 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') if (any(prm%Nslip < 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') prm%totalNslip = sum(prm%Nslip) - if (prm%totalNslip > 0_pInt) then - prm%rho0 = config_phase(p)%getFloats('rhoedge0') - prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0') + if (prm%totalNslip > 0_pInt) then + prm%rho0 = config_phase(p)%getFloats('rhoedge0') + prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0') - prm%burgers_slip = config_phase(p)%getFloats('slipburgers') - if (size(prm%burgers_slip) /= size(prm%Nslip)) call IO_error(150_pInt,ext_msg='slipburgers') - prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) + prm%burgers_slip = config_phase(p)%getFloats('slipburgers') + if (size(prm%burgers_slip) /= size(prm%Nslip)) call IO_error(150_pInt,ext_msg='slipburgers') + prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) - prm%Qedge = config_phase(p)%getFloats('qedge') - prm%Qedge = math_expand(prm%Qedge,prm%Nslip) + prm%Qedge = config_phase(p)%getFloats('qedge') + prm%Qedge = math_expand(prm%Qedge,prm%Nslip) - prm%v0 = config_phase(p)%getFloats('v0') - prm%v0 = math_expand(prm%v0,prm%Nslip) + prm%v0 = config_phase(p)%getFloats('v0') + prm%v0 = math_expand(prm%v0,prm%Nslip) - prm%interaction_SlipSlip = spread(config_phase(p)%getFloats('interaction_slipslip'),2,1) + prm%interaction_SlipSlip = spread(config_phase(p)%getFloats('interaction_slipslip'),2,1) - prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') + prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') - prm%CLambdaSlipPerSlipSystem = config_phase(p)%getFloats('clambdaslip') - prm%CLambdaSlipPerSlipSystem= math_expand(prm%CLambdaSlipPerSlipSystem,prm%Nslip) + prm%CLambdaSlip = config_phase(p)%getFloats('clambdaslip') + prm%CLambdaSlip= math_expand(prm%CLambdaSlip,prm%Nslip) - prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) + prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) - prm%p = config_phase(p)%getFloats('p_slip') - prm%q = config_phase(p)%getFloats('q_slip') + prm%p = config_phase(p)%getFloats('p_slip') + prm%q = config_phase(p)%getFloats('q_slip') endif prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyInt) @@ -357,7 +360,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%interaction_TwinTwin = spread(config_phase(p)%getFloats('interaction_twintwin'),2,1) - if (lattice_structure(p) /= LATTICE_fcc_ID) then + if (.not. prm%isFCC) then prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) endif @@ -418,174 +421,164 @@ subroutine plastic_dislotwin_init(fileUnit) endif - prm%aTolRho = config_phase(p)%getFloat('atol_rho', defaultVal=0.0_pReal) - prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=0.0_pReal) - prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac', defaultVal=0.0_pReal) + prm%aTolRho = config_phase(p)%getFloat('atol_rho', defaultVal=0.0_pReal) + prm%aTolTwinFrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=0.0_pReal) + prm%aTolTransFrac = config_phase(p)%getFloat('atol_transfrac', defaultVal=0.0_pReal) - prm%CAtomicVolume = config_phase(p)%getFloat('catomicvolume') - prm%GrainSize = config_phase(p)%getFloat('grainsize') - prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults + prm%CAtomicVolume = config_phase(p)%getFloat('catomicvolume') + prm%GrainSize = config_phase(p)%getFloat('grainsize') + prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults - prm%D0 = config_phase(p)%getFloat('d0') - prm%Qsd = config_phase(p)%getFloat('qsd') - prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') - prm%dipoleFormationFactor= config_phase(p)%getFloat('dipoleformationfactor', defaultVal=1.0_pReal) ! ToDo: How to handle that??? - prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) - if (prm%sbVelocity > 0.0_pReal) then - prm%sbResistance = config_phase(p)%getFloat('shearbandresistance') - prm%sbQedge = config_phase(p)%getFloat('qedgepersbsystem') - prm%pShearBand = config_phase(p)%getFloat('p_shearband') - prm%qShearBand = config_phase(p)%getFloat('q_shearband') + prm%D0 = config_phase(p)%getFloat('d0') + prm%Qsd = config_phase(p)%getFloat('qsd') + prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') + prm%dipoleFormationFactor= config_phase(p)%getFloat('dipoleformationfactor', defaultVal=1.0_pReal) ! ToDo: How to handle that??? + prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) + if (prm%sbVelocity > 0.0_pReal) then + prm%sbResistance = config_phase(p)%getFloat('shearbandresistance') + prm%sbQedge = config_phase(p)%getFloat('qedgepersbsystem') + prm%pShearBand = config_phase(p)%getFloat('p_shearband') + prm%qShearBand = config_phase(p)%getFloat('q_shearband') + endif + + outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyString) + allocate(prm%outputID(0)) + do i= 1_pInt, size(outputs) + outputID = undefined_ID + select case(outputs(i)) + case ('edge_density') + outputID = edge_density_ID + outputSize = prm%totalNslip + case ('dipole_density') + outputID = dipole_density_ID + outputSize = prm%totalNslip + case ('shear_rate_slip','shearrate_slip') + outputID = shear_rate_slip_ID + outputSize = prm%totalNslip + case ('accumulated_shear_slip') + outputID = accumulated_shear_slip_ID + outputSize = prm%totalNslip + case ('mfp_slip') + outputID = mfp_slip_ID + outputSize = prm%totalNslip + case ('resolved_stress_slip') + outputID = resolved_stress_slip_ID + outputSize = prm%totalNslip + case ('threshold_stress_slip') + outputID= threshold_stress_slip_ID + outputSize = prm%totalNslip + case ('edge_dipole_distance') + outputID = edge_dipole_distance_ID + outputSize = prm%totalNslip + case ('stress_exponent') + outputID = stress_exponent_ID + outputSize = prm%totalNslip + + case ('twin_fraction') + outputID = twin_fraction_ID + outputSize = prm%totalNtwin + case ('shear_rate_twin','shearrate_twin') + outputID = shear_rate_twin_ID + outputSize = prm%totalNtwin + case ('accumulated_shear_twin') + outputID = accumulated_shear_twin_ID + outputSize = prm%totalNtwin + case ('mfp_twin') + outputID = mfp_twin_ID + outputSize = prm%totalNtwin + case ('resolved_stress_twin') + outputID = resolved_stress_twin_ID + outputSize = prm%totalNtwin + case ('threshold_stress_twin') + outputID = threshold_stress_twin_ID + outputSize = prm%totalNtwin + + case ('resolved_stress_shearband') + outputID = resolved_stress_shearband_ID + outputSize = 6_pInt + case ('shear_rate_shearband','shearrate_shearband') + outputID = shear_rate_shearband_ID + outputSize = 6_pInt + + case ('stress_trans_fraction') + outputID = stress_trans_fraction_ID + outputSize = prm%totalNtrans + case ('strain_trans_fraction') + outputID = strain_trans_fraction_ID + outputSize = prm%totalNtrans + case ('trans_fraction','total_trans_fraction') + outputID = trans_fraction_ID + outputSize = prm%totalNtrans + + end select + + if (outputID /= undefined_ID) then + plastic_dislotwin_output(i,instance) = outputs(i) + plastic_dislotwin_sizePostResult(i,instance) = outputSize + prm%outputID = [prm%outputID , outputID] endif - - outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyString) - allocate(prm%outputID(0)) - do i= 1_pInt, size(outputs) - outputID = undefined_ID - select case(outputs(i)) - case ('edge_density') - outputID = edge_density_ID - outputSize = prm%totalNslip - case ('dipole_density') - outputID = dipole_density_ID - outputSize = prm%totalNslip - case ('shear_rate_slip','shearrate_slip') - outputID = shear_rate_slip_ID - outputSize = prm%totalNslip - case ('accumulated_shear_slip') - outputID = accumulated_shear_slip_ID - outputSize = prm%totalNslip - case ('mfp_slip') - outputID = mfp_slip_ID - outputSize = prm%totalNslip - case ('resolved_stress_slip') - outputID = resolved_stress_slip_ID - outputSize = prm%totalNslip - case ('threshold_stress_slip') - outputID= threshold_stress_slip_ID - outputSize = prm%totalNslip - case ('edge_dipole_distance') - outputID = edge_dipole_distance_ID - outputSize = prm%totalNslip - case ('stress_exponent') - outputID = stress_exponent_ID - outputSize = prm%totalNslip - - case ('twin_fraction') - outputID = twin_fraction_ID - outputSize = prm%totalNtwin - - case ('shear_rate_twin','shearrate_twin') - outputID = shear_rate_twin_ID - outputSize = prm%totalNtwin - case ('accumulated_shear_twin') - outputID = accumulated_shear_twin_ID - outputSize = prm%totalNtwin - case ('mfp_twin') - outputID = mfp_twin_ID - outputSize = prm%totalNtwin - case ('resolved_stress_twin') - outputID = resolved_stress_twin_ID - outputSize = prm%totalNtwin - case ('threshold_stress_twin') - outputID = threshold_stress_twin_ID - outputSize = prm%totalNtwin - - case ('resolved_stress_shearband') - outputID = resolved_stress_shearband_ID - outputSize = 6_pInt - - case ('shear_rate_shearband','shearrate_shearband') - outputID = shear_rate_shearband_ID - outputSize = 6_pInt - - case ('stress_trans_fraction') - outputID = stress_trans_fraction_ID - outputSize = prm%totalNtrans - case ('strain_trans_fraction') - outputID = strain_trans_fraction_ID - outputSize = prm%totalNtrans - case ('trans_fraction','total_trans_fraction') - outputID = trans_fraction_ID - outputSize = prm%totalNtrans - - end select - - if (outputID /= undefined_ID) then - plastic_dislotwin_output(i,instance) = outputs(i) - plastic_dislotwin_sizePostResult(i,instance) = outputSize - prm%outputID = [prm%outputID , outputID] - endif - - enddo + enddo - do f = 1_pInt,lattice_maxNslipFamily - ! if (rhoEdge0(f,instance) < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') - ! if (rhoEdgeDip0(f,instance) < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') - ! if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') - !if (v0PerSlipFamily(f,instance) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') - !if (prm%tau_peierlsPerSlipFamily(f) < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') - enddo - do f = 1_pInt,lattice_maxNtwinFamily - ! if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') - !if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') - enddo - if (prm%CAtomicVolume <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%D0 <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%Qsd <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%totalNtwin > 0_pInt) then - if (dEq0(prm%SFE_0K) .and. & - dEq0(prm%dSFE_dT) .and. & - lattice_structure(p) == LATTICE_fcc_ID) & - call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%aTolRho <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%aTolTwinFrac <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') - endif - if (prm%totalNtrans > 0_pInt) then - if (dEq0(prm%SFE_0K) .and. & - dEq0(prm%dSFE_dT) .and. & - lattice_structure(p) == LATTICE_fcc_ID) & - call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%aTolTransFrac <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') - endif - !if (prm%sbResistance < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') - !if (prm%sbVelocity < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') - !if (prm%sbVelocity > 0.0_pReal .and. & - ! prm%pShearBand <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') - if (dNeq0(prm%dipoleFormationFactor) .and. & - dNeq(prm%dipoleFormationFactor, 1.0_pReal)) & - call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%sbVelocity > 0.0_pReal .and. & - prm%qShearBand <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') - - enddo -! ToDo: this works only for one instance! - allocate(forestProjectionEdge(prm%totalNslip,prm%totalNslip,maxNinstance), source=0.0_pReal) - + do f = 1_pInt,lattice_maxNslipFamily + ! if (rhoEdge0(f,instance) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') + ! if (rhoEdgeDip0(f,instance) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') + ! if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') + !if (v0PerSlipFamily(f,instance) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%tau_peierlsPerSlipFamily(f) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') + enddo + do f = 1_pInt,lattice_maxNtwinFamily + ! if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') + !if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') + enddo + if (prm%CAtomicVolume <= 0.0_pReal) & + call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%D0 <= 0.0_pReal) & + call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%Qsd <= 0.0_pReal) & + call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%totalNtwin > 0_pInt) then + if (dEq0(prm%SFE_0K) .and. & + dEq0(prm%dSFE_dT) .and. & + lattice_structure(p) == LATTICE_fcc_ID) & + call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolRho <= 0.0_pReal) & + call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolTwinFrac <= 0.0_pReal) & + call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') + endif + if (prm%totalNtrans > 0_pInt) then + if (dEq0(prm%SFE_0K) .and. & + dEq0(prm%dSFE_dT) .and. & + lattice_structure(p) == LATTICE_fcc_ID) & + call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolTransFrac <= 0.0_pReal) & + call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') + endif + !if (prm%sbResistance < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbVelocity < 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbVelocity > 0.0_pReal .and. & + ! prm%pShearBand <= 0.0_pReal) & + ! call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') + if (dNeq0(prm%dipoleFormationFactor) .and. & + dNeq(prm%dipoleFormationFactor, 1.0_pReal)) & + call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%sbVelocity > 0.0_pReal .and. & + prm%qShearBand <= 0.0_pReal) & + call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') + - initializeInstances: do p = 1_pInt, size(phase_plasticity) - if (phase_plasticity(p) /= PLASTICITY_dislotwin_ID) cycle NofMyPhase=count(material_phase==p) - instance = phase_plasticityInstance(p) - prm => param(instance) + !-------------------------------------------------------------------------------------------------- ! allocate state arrays @@ -630,10 +623,15 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%accumulatedSlip => & plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) + prm%mu = lattice_mu(p) + prm%nu = lattice_nu(p) + prm%C66 = lattice_C66(1:6,1:6,p) + allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) allocate(prm%Schmid_slip(3,3,prm%totalNslip),source = 0.0_pReal) + allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal) i = 0_pInt mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) index_myFamily = sum(prm%Nslip(1:f-1_pInt)) @@ -644,7 +642,7 @@ subroutine plastic_dislotwin_init(fileUnit) do o = 1_pInt, size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) - forestProjectionEdge(index_myFamily+j,index_otherFamily+k,instance) = & + prm%forestProjectionEdge(index_myFamily+j,index_otherFamily+k) = & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) temp1(index_myFamily+j,index_otherFamily+k) = & @@ -683,7 +681,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) - allocate(prm%Ctwin66(6,6,prm%totalNtwin), source=0.0_pReal) + allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal) if (allocated(Ctwin3333)) deallocate(Ctwin3333) allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal) @@ -712,7 +710,7 @@ subroutine plastic_dislotwin_init(fileUnit) lattice_Qtwin(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo - prm%Ctwin66(1:6,1:6,index_myFamily+j) = & + prm%C66_twin(1:6,1:6,index_myFamily+j) = & math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) !* Interaction matrices @@ -744,7 +742,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) - allocate(prm%Ctrans66(6,6,prm%totalNtrans) ,source=0.0_pReal) + allocate(prm%C66_trans(6,6,prm%totalNtrans) ,source=0.0_pReal) if (allocated(Ctrans3333)) deallocate(Ctrans3333) allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal) @@ -766,7 +764,7 @@ subroutine plastic_dislotwin_init(fileUnit) lattice_Qtrans(o,s,index_otherFamily+j,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo - prm%Ctrans66(1:6,1:6,index_myFamily+j) = & + prm%C66_trans(1:6,1:6,index_myFamily+j) = & math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) !* Interaction matrices @@ -861,8 +859,8 @@ subroutine plastic_dislotwin_init(fileUnit) invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) forall (i = 1_pInt:prm%totalNslip) & invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & - math_expand(prm%rhoDip0,prm%Nslip),forestProjectionEdge(1:prm%totalNslip,i,instance)))/ & - prm%CLambdaSlipPerSlipSystem(i) + math_expand(prm%rhoDip0,prm%Nslip),prm%forestProjectionEdge(1:prm%totalNslip,i)))/ & + prm%CLambdaSlip(i) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) @@ -944,13 +942,11 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) - enddo initializeInstances + allocate(microstructure(instance)%tau_r_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) + allocate(microstructure(instance)%tau_r_trans(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + end associate + enddo - ! ToDo: this should be stored somewhere else. Works only for the whole instance!! - ! ToDo: prm%totalNtwin should be the maximum over all totalNtwins! - allocate(tau_r_twin(prm%totalNtwin, maxNinstance), source=0.0_pReal) - allocate(tau_r_trans(prm%totalNtrans, maxNinstance), source=0.0_pReal) - end subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- @@ -958,50 +954,42 @@ end subroutine plastic_dislotwin_init !-------------------------------------------------------------------------------------------------- function plastic_dislotwin_homogenizedC(ipc,ip,el) use material, only: & + material_phase, & phase_plasticityInstance, & - phaseAt, phasememberAt - use lattice, only: & - lattice_C66 + phasememberAt - implicit none - real(pReal), dimension(6,6) :: & - plastic_dislotwin_homogenizedC - integer(pInt), intent(in) :: & - ipc, & !< component-ID of integration point - ip, & !< integration point - el !< element + implicit none + real(pReal), dimension(6,6) :: & + plastic_dislotwin_homogenizedC + integer(pInt), intent(in) :: & + ipc, & !< component-ID of integration point + ip, & !< integration point + el !< element type(tParameters) :: prm type(tDislotwinState) :: stt - integer(pInt) :: instance,i, & - ph, & + integer(pInt) :: s, & of - real(pReal) :: sumf, sumftr + real(pReal) :: sumf_twin, sumf_trans !* Shortened notation of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) - associate( prm => param(instance), stt =>state(instance)) + associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) + sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) + sumf_trans = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - !* Total twin volume fraction - sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 - - !* Total transformed volume fraction - sumftr = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - - !* Homogenized elasticity matrix - plastic_dislotwin_homogenizedC = (1.0_pReal-sumf-sumftr)*lattice_C66(1:6,1:6,ph) - do i=1_pInt,prm%totalNtwin + plastic_dislotwin_homogenizedC = (1.0_pReal-sumf_twin-sumf_trans)*prm%C66 + do s=1_pInt,prm%totalNtwin plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + stt%twinFraction(i,of)*prm%Ctwin66(1:6,1:6,i) + + stt%twinFraction(s,of)*prm%C66_twin(1:6,1:6,s) enddo - do i=1_pInt,prm%totalNtrans + do s=1_pInt,prm%totalNtrans plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + (stt%stressTransFraction(i,of) + stt%strainTransFraction(i,of))*& - prm%Ctrans66(1:6,1:6,i) + +(stt%stressTransFraction(i,of)+stt%strainTransFraction(s,of))*& + prm%C66_trans(1:6,1:6,s) enddo end associate end function plastic_dislotwin_homogenizedC @@ -1011,15 +999,11 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) !-------------------------------------------------------------------------------------------------- subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) use math, only: & - pi + PI use material, only: & material_phase, & phase_plasticityInstance, & - plasticState, & - phaseAt, phasememberAt - use lattice, only: & - lattice_mu, & - lattice_nu + phasememberAt implicit none integer(pInt), intent(in) :: & @@ -1030,12 +1014,10 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) temperature !< temperature at IP integer(pInt) :: & - instance, & s, & - ph, & of real(pReal) :: & - sumf,sfe,sumftr + sumf_twin,sfe,sumf_trans real(pReal), dimension(:), allocatable :: & x0, & fOverStacksize, & @@ -1043,52 +1025,53 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) type(tParameters) :: prm !< parameters of present instance type(tDislotwinState) :: stt !< state of present instance + type(tDislotwinMicrostructure) :: mse of = phasememberAt(ipc,ip,el) - ph = material_phase(ipc,ip,el) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& - stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & + mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - sumf = sum(stt%twinFraction(1:prm%totalNtwin,of)) - sumftr = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & - + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of)) + sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & + + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) sfe = prm%SFE_0K + prm%dSFE_dT * Temperature !* rescaled volume fraction for topology - fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize - ftransOverLamellarSize = sumftr /prm%lamellarsizePerTransSystem + fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: This is per system + ftransOverLamellarSize = sumf_trans/prm%lamellarsizePerTransSystem !ToDo: But this not ... !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (s = 1_pInt:prm%totalNslip) & stt%invLambdaSlip(s,of) = & sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& - forestProjectionEdge(1:prm%totalNslip,s,instance)))/prm%CLambdaSlipPerSlipSystem(s) + prm%forestProjectionEdge(1:prm%totalNslip,s)))/prm%CLambdaSlip(s) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & stt%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & - matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf) + matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf_twin) !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin !ToDo: needed? if (prm%totalNtwin > 0_pInt) & stt%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & - matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf) + matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin) !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & stt%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & - matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumftr) + matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) !ToDo: needed? if (prm%totalNtrans > 0_pInt) & stt%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & - matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumftr) + matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) !$OMP END CRITICAL (evilmatmul) !* mean free path between 2 obstacles seen by a moving dislocation @@ -1110,33 +1093,29 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !* threshold stress for dislocation motion forall (s = 1_pInt:prm%totalNslip) stt%threshold_stress_slip(s,of) = & - lattice_mu(ph)*prm%burgers_slip(s)*& + prm%mu*prm%burgers_slip(s)*& sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),& prm%interaction_SlipSlip(s,1:prm%totalNslip))) !* threshold stress for growing twin/martensite - stt%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & - (sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*lattice_mu(ph)/ & + stt%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & + (sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ & (prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct? - stt%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & - (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*lattice_mu(ph)/& + stt%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & + (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/& (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) ! final volume after growth - stt%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*stt%mfp_twin(:,of)**2.0_pReal - stt%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*stt%mfp_trans(:,of)**2.0_pReal + stt%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*stt%mfp_twin(:,of)**2.0_pReal + stt%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*stt%mfp_trans(:,of)**2.0_pReal - - -!ToDo: MD: This does not work for non-isothermal simulations!!!!! !* equilibrium separation of partial dislocations (twin) - x0 = lattice_mu(ph)*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - tau_r_twin(:,instance)= lattice_mu(ph)*prm%burgers_twin/(2.0_pReal*PI)*& - (1/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) -!* equilibrium separation of partial dislocations (trans) - x0 = lattice_mu(ph)*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+lattice_nu(ph))/(1.0_pReal-lattice_nu(ph)) - tau_r_trans(:,instance)= lattice_mu(ph)*prm%burgers_trans/(2.0_pReal*PI)*& - (1/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) + x0 = prm%mu*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) + mse%tau_r_twin(:,of) = prm%mu*prm%burgers_twin/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_twin)+cos(pi/3.0_pReal)/x0) + + !* equilibrium separation of partial dislocations (trans) + x0 = prm%mu*prm%burgers_trans**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) + mse%tau_r_trans(:,of) = prm%mu*prm%burgers_trans/(2.0_pReal*PI)*(1.0_pReal/(x0+prm%xc_trans)+cos(pi/3.0_pReal)/x0) end associate end subroutine plastic_dislotwin_microstructure @@ -1160,12 +1139,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature math_mul33x3 use material, only: & material_phase, & - plasticState, & phase_plasticityInstance, & - phaseAt, phasememberAt - use lattice, only: & - lattice_structure, & - LATTICE_fcc_ID + phasememberAt implicit none integer(pInt), intent(in) :: ipc,ip,el @@ -1174,14 +1149,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 - integer(pInt) :: ph,of,j,k,l,m,n,s1,s2,instance - real(pReal) :: sumf,sumftr,StressRatio_p,StressRatio_pminus1,& + integer(pInt) :: of,j,k,l,m,n,s1,s2 + real(pReal) :: sumf_twin,sumf_trans,StressRatio_p,StressRatio_pminus1,& StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & Ndot0_trans,StressRatio_s, & dgdot_dtau, & tau real(pReal), dimension(3,3,3,3) :: dLp_dS - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & + real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: & gdot_slip real(pReal):: gdot_sb,gdot_twin,gdot_trans real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand @@ -1213,14 +1188,13 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature type(tDislotwinState) :: ste !< state of present instance of = phasememberAt(ipc,ip,el) - ph = material_phase(ipc,ip,el) - instance = phase_plasticityInstance(ph) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& - stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & + mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - sumf = sum(stt%twinFraction(1:prm%totalNtwin,of)) - sumftr = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & + sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of)) + sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) Lp = 0.0_pReal @@ -1255,8 +1229,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature enddo slipContribution !ToDo: Why do this before shear banding? - Lp = Lp * (1.0_pReal - sumf - sumftr) - dLp_dS = dLp_dS * (1.0_pReal - sumf - sumftr) + Lp = Lp * (1.0_pReal - sumf_twin - sumf_trans) + dLp_dS = dLp_dS * (1.0_pReal - sumf_twin - sumf_trans) shearBandingContribution: if(dNeq0(prm%sbVelocity)) then @@ -1292,15 +1266,15 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature significantTwinStress: if (tau > tol_math_check) then StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j) - isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then + isFCCtwin: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < tau_r_twin(j,instance)) then + if (tau < mse%tau_r_twin(j,of)) then Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_twin*prm%burgers_slip(j))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau))) + (mse%tau_r_twin(j,of)-tau))) else Ndot0_twin=0.0_pReal end if @@ -1308,7 +1282,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Ndot0_twin=prm%Ndot0_twin(j) endif isFCCtwin - gdot_twin = (1.0_pReal-sumf-sumftr)* prm%shear_twin(j) * stt%twinVolume(j,of) & + gdot_twin = (1.0_pReal-sumf_twin-sumf_trans)* prm%shear_twin(j) * stt%twinVolume(j,of) & * Ndot0_twin*exp(-StressRatio_r) dgdot_dtau = ((gdot_twin*prm%r(j))/tau)*StressRatio_r @@ -1327,14 +1301,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature significantTransStress: if (tau > tol_math_check) then StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j) - isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then + isFCCtrans: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < tau_r_trans(j,instance)) then + if (tau < mse%tau_r_trans(j,of)) then Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_trans*prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(tau_r_trans(j,instance)-tau))) + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(mse%tau_r_trans(j,of)-tau))) else Ndot0_trans=0.0_pReal end if @@ -1342,7 +1316,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Ndot0_trans=prm%Ndot0_trans(j) endif isFCCtrans - gdot_trans = (1.0_pReal-sumf-sumftr)* stt%martensiteVolume(j,of) & + gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* stt%martensiteVolume(j,of) & * Ndot0_trans*exp(-StressRatio_s) dgdot_dtau = ((gdot_trans*prm%s(j))/tau)*StressRatio_s Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j) @@ -1376,11 +1350,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) material_phase, & phase_plasticityInstance, & plasticState, & - phaseAt, phasememberAt - use lattice, only: & - lattice_mu, & - lattice_structure, & - LATTICE_fcc_ID + phasememberAt implicit none real(pReal), dimension(6), intent(in):: & @@ -1395,7 +1365,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) integer(pInt) :: instance,j,s1,s2, & ph, & of - real(pReal) :: sumf,sumftr,StressRatio_p,BoltzmannRatio,& + real(pReal) :: sumf_twin,sumf_trans,StressRatio_p,BoltzmannRatio,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & @@ -1408,6 +1378,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) S !< Second-Piola Kirchhoff stress type(tParameters) :: prm type(tDislotwinState) :: stt, dst + type(tDislotwinMicrostructure) :: mse !* Shortened notation of = phasememberAt(ipc,ip,el) @@ -1419,11 +1390,12 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & - dst => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el)))) + dst => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el))), & + mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) - sumftr = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) + sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) + sumf_trans = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & + sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) slipState: do j = 1_pInt, prm%totalNslip @@ -1446,7 +1418,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) significantSlipStress2: if (dEq0(tau)) then DotRhoDipFormation = 0.0_pReal else significantSlipStress2 - EdgeDipDistance = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j))/& + EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(j))/& (16.0_pReal*PI*abs(tau)) if (EdgeDipDistance>stt%mfp_slip(j,of)) EdgeDipDistance=stt%mfp_slip(j,of) if (EdgeDipDistance tol_math_check) then StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j) - isFCCtwin: if (lattice_structure(ph) == LATTICE_FCC_ID) then + isFCCtwin: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < tau_r_twin(j,instance)) then + if (tau < mse%tau_r_twin(j,of)) then Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_twin*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_twin(j,instance)-tau))) + (mse%tau_r_twin(j,of)-tau))) else Ndot0_twin=0.0_pReal end if else isFCCtwin Ndot0_twin=prm%Ndot0_twin(j) endif isFCCtwin - dst%twinFraction(j,of) = (1.0_pReal-sumf-sumftr)*& + dst%twinFraction(j,of) = (1.0_pReal-sumf_twin-sumf_trans)*& stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) dst%accshear_twin(j,of) = dst%twinFraction(j,of) * prm%shear_twin(j) endif significantTwinStress @@ -1515,21 +1487,21 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) significantTransStress: if (tau > tol_math_check) then StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j) - isFCCtrans: if (lattice_structure(ph) == LATTICE_FCC_ID) then + isFCCtrans: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,j) s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < tau_r_trans(j,instance)) then + if (tau < mse%tau_r_trans(j,of)) then Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_trans*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (tau_r_trans(j,instance)-tau))) + (mse%tau_r_trans(j,of)-tau))) else Ndot0_trans=0.0_pReal end if else isFCCtrans Ndot0_trans=prm%Ndot0_trans(j) endif isFCCtrans - dst%strainTransFraction(j,of) = (1.0_pReal-sumf-sumftr)*& + dst%strainTransFraction(j,of) = (1.0_pReal-sumf_twin-sumf_trans)*& stt%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) !* Dotstate for accumulated shear due to transformation !dst%accshear_trans(j,of) = dst%strainTransFraction(j,of) * & @@ -1558,11 +1530,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos material_phase, & plasticState, & phase_plasticityInstance,& - phaseAt, phasememberAt - use lattice, only: & - lattice_mu, & - lattice_structure, & - LATTICE_fcc_ID + phasememberAt implicit none real(pReal), dimension(6), intent(in) :: & @@ -1577,32 +1545,30 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults) :: & postResults integer(pInt) :: & - instance,& o,c,j,& s1,s2, & - ph, & of - real(pReal) :: sumf,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & + real(pReal) :: sumf_twin,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & stressRatio - real(preal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & + real(preal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: & gdot_slip real(pReal), dimension(3,3) :: & S !< Second-Piola Kirchhoff stress type(tParameters) :: prm type(tDislotwinState) :: stt + type(tDislotwinMicrostructure) :: mse !* Shortened notation of = phasememberAt(ipc,ip,el) - ph = phaseAt(ipc,ip,el) - instance = phase_plasticityInstance(ph) S = math_Mandel6to33(Tstar_v) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & - stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & + mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - sumf = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 + sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 c = 0_pInt postResults = 0.0_pReal @@ -1651,7 +1617,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos c = c + prm%totalNslip case (edge_dipole_distance_ID) do j = 1_pInt, prm%totalNslip - postResults(c+j) = (3.0_pReal*lattice_mu(ph)*prm%burgers_slip(j)) & + postResults(c+j) = (3.0_pReal*prm%mu*prm%burgers_slip(j)) & / (16.0_pReal*PI*abs(math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)))) postResults(c+j)=min(postResults(c+j),stt%mfp_slip(j,of)) ! postResults(c+j)=max(postResults(c+j),& @@ -1708,23 +1674,22 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) if ( tau > 0.0_pReal ) then - select case(lattice_structure(ph)) - case (LATTICE_fcc_ID) - s1=prm%fcc_twinNucleationSlipPair(1,j) - s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < tau_r_twin(j,instance)) then - Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& - abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& - (prm%L0_twin* prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)* (tau_r_twin(j,instance)-tau))) - else - Ndot0_twin=0.0_pReal - end if - case default - Ndot0_twin=prm%Ndot0_twin(j) - end select + isFCCtwin: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,j) + s2=prm%fcc_twinNucleationSlipPair(2,j) + if (tau < mse%tau_r_twin(j,of)) then + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_twin* prm%burgers_slip(j))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)* (mse%tau_r_twin(j,of)-tau))) + else + Ndot0_twin=0.0_pReal + end if + else isFCCtwin + Ndot0_twin=prm%Ndot0_twin(j) + endif isFCCtwin StressRatio_r = (stt%threshold_stress_twin(j,of)/tau) **prm%r(j) - postResults(c+j) = (prm%MaxTwinFraction-sumf)*prm%shear_twin(j) & + postResults(c+j) = (prm%MaxTwinFraction-sumf_twin)*prm%shear_twin(j) & * stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) endif enddo From 1f9d268e2912aec4c55479b14de9fd192509d1d2 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 5 Sep 2018 16:15:57 +0200 Subject: [PATCH 049/143] renaming --- src/plastic_dislotwin.f90 | 403 ++++++++++++++++++++------------------ 1 file changed, 208 insertions(+), 195 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 5a44ad1b3..7fa3d3845 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -6,7 +6,7 @@ module plastic_dislotwin use prec, only: & pReal, & - pIntS + pInt implicit none private @@ -155,7 +155,8 @@ module plastic_dislotwin threshold_stress_twin, & threshold_stress_trans, & twinVolume, & - martensiteVolume + martensiteVolume, & + whole end type tDislotwinState type, private :: tDislotwinMicrostructure @@ -244,7 +245,7 @@ subroutine plastic_dislotwin_init(fileUnit) implicit none integer(pInt), intent(in) :: fileUnit - integer(pInt) :: maxNinstance,& + integer(pInt) :: Ninstances,& f,instance,j,i,k,l,m,n,o,p,q,r,s,p1, & offset_slip, index_myFamily, index_otherFamily, & startIndex, endIndex, outputSize @@ -276,8 +277,13 @@ subroutine plastic_dislotwin_init(fileUnit) character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::] - type(tParameters) :: prm - type(tDislotwinMicrostructure) :: mse + type(tParameters) :: & + prm + type(tDislotwinState) :: & + stt, & + dst + type(tDislotwinMicrostructure) :: & + mse write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' @@ -290,27 +296,33 @@ subroutine plastic_dislotwin_init(fileUnit) write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" - maxNinstance = int(count(phase_plasticity == PLASTICITY_DISLOTWIN_ID),pInt) - if (maxNinstance == 0_pInt) return + Ninstances = int(count(phase_plasticity == PLASTICITY_DISLOTWIN_ID),pInt) + if (Ninstances == 0_pInt) return if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & - write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance + write(6,'(a16,1x,i5,/)') '# instances:',Ninstances - allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) - allocate(plastic_dislotwin_output(maxval(phase_Noutput),maxNinstance)) + allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),Ninstances),source=0_pInt) + allocate(plastic_dislotwin_output(maxval(phase_Noutput),Ninstances)) plastic_dislotwin_output = '' - allocate(param(maxNinstance)) - allocate(state(maxNinstance)) - allocate(dotState(maxNinstance)) - allocate(microstructure(maxNinstance)) + allocate(param(Ninstances)) + allocate(state(Ninstances)) + allocate(dotState(Ninstances)) + allocate(microstructure(Ninstances)) do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle - instance = phase_plasticityInstance(p) - associate(prm => param(instance)) + associate(prm => param(phase_plasticityInstance(p)), & + dst => dotState(phase_plasticityInstance(p)), & + stt => state(phase_plasticityInstance(p)), & + mse => microstructure(phase_plasticityInstance(p))) + ! This data is read in already in lattice prm%isFCC = merge(.true., .false., lattice_structure(p) == LATTICE_FCC_ID) + prm%mu = lattice_mu(p) + prm%nu = lattice_nu(p) + prm%C66 = lattice_C66(1:6,1:6,p) prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyInt) if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') @@ -513,68 +525,68 @@ subroutine plastic_dislotwin_init(fileUnit) end select if (outputID /= undefined_ID) then - plastic_dislotwin_output(i,instance) = outputs(i) - plastic_dislotwin_sizePostResult(i,instance) = outputSize - prm%outputID = [prm%outputID , outputID] + plastic_dislotwin_output(i,phase_plasticityInstance(p)) = outputs(i) + plastic_dislotwin_sizePostResult(i,phase_plasticityInstance(p)) = outputSize + prm%outputID = [prm%outputID, outputID] endif enddo do f = 1_pInt,lattice_maxNslipFamily - ! if (rhoEdge0(f,instance) < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') - ! if (rhoEdgeDip0(f,instance) < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') - ! if (burgersPerSlipFamily(f,instance) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') - !if (v0PerSlipFamily(f,instance) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') + ! if (rhoEdge0(f,p) < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') + ! if (rhoEdgeDip0(f,p) < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') + ! if (burgersPerSlipFamily(f,p) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') + !if (v0PerSlipFamily(f,p) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') !if (prm%tau_peierlsPerSlipFamily(f) < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') + ! call IO_error(211_pInt,el=p,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') enddo do f = 1_pInt,lattice_maxNtwinFamily - ! if (burgersPerTwinFamily(f,instance) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') - !if (Ndot0PerTwinFamily(f,instance) < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') + ! if (burgersPerTwinFamily(f,p) <= 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') + !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') enddo if (prm%CAtomicVolume <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') if (prm%D0 <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') if (prm%Qsd <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') if (prm%totalNtwin > 0_pInt) then if (dEq0(prm%SFE_0K) .and. & dEq0(prm%dSFE_dT) .and. & lattice_structure(p) == LATTICE_fcc_ID) & - call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') if (prm%aTolRho <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') if (prm%aTolTwinFrac <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') endif if (prm%totalNtrans > 0_pInt) then if (dEq0(prm%SFE_0K) .and. & dEq0(prm%dSFE_dT) .and. & lattice_structure(p) == LATTICE_fcc_ID) & - call IO_error(211_pInt,el=instance,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') if (prm%aTolTransFrac <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') endif !if (prm%sbResistance < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') + ! call IO_error(211_pInt,el=p,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') !if (prm%sbVelocity < 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') + ! call IO_error(211_pInt,el=p,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') !if (prm%sbVelocity > 0.0_pReal .and. & ! prm%pShearBand <= 0.0_pReal) & - ! call IO_error(211_pInt,el=instance,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') + ! call IO_error(211_pInt,el=p,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') if (dNeq0(prm%dipoleFormationFactor) .and. & dNeq(prm%dipoleFormationFactor, 1.0_pReal)) & - call IO_error(211_pInt,el=instance,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') if (prm%sbVelocity > 0.0_pReal .and. & prm%qShearBand <= 0.0_pReal) & - call IO_error(211_pInt,el=instance,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') + call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') NofMyPhase=count(material_phase==p) @@ -597,7 +609,7 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%sizeState = sizeState plasticState(p)%sizeDotState = sizeDotState plasticState(p)%sizeDeltaState = sizeDeltaState - plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,instance)) + plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,phase_plasticityInstance(p))) plasticState(p)%nSlip = prm%totalNslip plasticState(p)%nTwin = prm%totalNtwin plasticState(p)%nTrans= prm%totalNtrans @@ -623,9 +635,7 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%accumulatedSlip => & plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) - prm%mu = lattice_mu(p) - prm%nu = lattice_nu(p) - prm%C66 = lattice_C66(1:6,1:6,p) + allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) @@ -809,53 +819,53 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=1_pInt endIndex=prm%totalNslip - state(instance)%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) + dst%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip - state(instance)%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) + dst%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip - state(instance)%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) + dst%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin - state(instance)%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) + dst%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin - state(instance)%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) + dst%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans - state(instance)%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:) + dst%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans - state(instance)%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) - dotState(instance)%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) + dst%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip - state(instance)%invLambdaSlip=>plasticState(p)%state(startIndex:endIndex,:) + stt%invLambdaSlip=>plasticState(p)%state(startIndex:endIndex,:) invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) forall (i = 1_pInt:prm%totalNslip) & invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & @@ -866,48 +876,48 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip - state(instance)%invLambdaSlipTwin=>plasticState(p)%state(startIndex:endIndex,:) + stt%invLambdaSlipTwin=>plasticState(p)%state(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin - state(instance)%invLambdaTwin=>plasticState(p)%state(startIndex:endIndex,:) + stt%invLambdaTwin=>plasticState(p)%state(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip - state(instance)%invLambdaSlipTrans=>plasticState(p)%state(startIndex:endIndex,:) + stt%invLambdaSlipTrans=>plasticState(p)%state(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans - state(instance)%invLambdaTrans=>plasticState(p)%state(startIndex:endIndex,:) + stt%invLambdaTrans=>plasticState(p)%state(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip - state(instance)%mfp_slip=>plasticState(p)%state(startIndex:endIndex,:) + stt%mfp_slip=>plasticState(p)%state(startIndex:endIndex,:) MeanFreePathSlip0 = prm%GrainSize/(1.0_pReal+invLambdaSlip0*prm%GrainSize) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin - state(instance)%mfp_twin=>plasticState(p)%state(startIndex:endIndex,:) + stt%mfp_twin=>plasticState(p)%state(startIndex:endIndex,:) MeanFreePathTwin0 = spread(prm%GrainSize,1,prm%totalNtwin) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans - state(instance)%mfp_trans=>plasticState(p)%state(startIndex:endIndex,:) + stt%mfp_trans=>plasticState(p)%state(startIndex:endIndex,:) MeanFreePathTrans0 = spread(prm%GrainSize,1,prm%totalNtrans) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip - state(instance)%threshold_stress_slip=>plasticState(p)%state(startIndex:endIndex,:) + stt%threshold_stress_slip=>plasticState(p)%state(startIndex:endIndex,:) tauSlipThreshold0 = spread(0.0_pReal,1,prm%totalNslip) forall (i = 1_pInt:prm%totalNslip) tauSlipThreshold0(i) = & lattice_mu(p)*prm%burgers_slip(i) * & @@ -918,15 +928,15 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin - state(instance)%threshold_stress_twin=>plasticState(p)%state(startIndex:endIndex,:) + stt%threshold_stress_twin=>plasticState(p)%state(startIndex:endIndex,:) startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans - state(instance)%threshold_stress_trans=>plasticState(p)%state(startIndex:endIndex,:) + stt%threshold_stress_trans=>plasticState(p)%state(startIndex:endIndex,:) startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin - state(instance)%twinVolume=>plasticState(p)%state(startIndex:endIndex,:) + stt%twinVolume=>plasticState(p)%state(startIndex:endIndex,:) TwinVolume0= spread(0.0_pReal,1,prm%totalNtwin) forall (i = 1_pInt:prm%totalNtwin) TwinVolume0(i) = & (PI/4.0_pReal)*prm%twinsize(i)*MeanFreePathTwin0(i)**2.0_pReal @@ -935,15 +945,18 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans - state(instance)%martensiteVolume=>plasticState(p)%state(startIndex:endIndex,:) + stt%martensiteVolume=>plasticState(p)%state(startIndex:endIndex,:) MartensiteVolume0= spread(0.0_pReal,1,prm%totalNtrans) forall (i = 1_pInt:prm%totalNtrans) MartensiteVolume0(i) = & (PI/4.0_pReal)*prm%lamellarsizePerTransSystem(i)*MeanFreePathTrans0(i)**2.0_pReal plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) - allocate(microstructure(instance)%tau_r_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) - allocate(microstructure(instance)%tau_r_trans(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + dst%whole => plasticState(p)%dotState + + allocate(mse%tau_r_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) + allocate(mse%tau_r_trans(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + end associate enddo @@ -968,7 +981,7 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) type(tParameters) :: prm type(tDislotwinState) :: stt - integer(pInt) :: s, & + integer(pInt) :: i, & of real(pReal) :: sumf_twin, sumf_trans @@ -982,14 +995,14 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) plastic_dislotwin_homogenizedC = (1.0_pReal-sumf_twin-sumf_trans)*prm%C66 - do s=1_pInt,prm%totalNtwin + do i=1_pInt,prm%totalNtwin plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - + stt%twinFraction(s,of)*prm%C66_twin(1:6,1:6,s) + + stt%twinFraction(i,of)*prm%C66_twin(1:6,1:6,i) enddo - do s=1_pInt,prm%totalNtrans + do i=1_pInt,prm%totalNtrans plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & - +(stt%stressTransFraction(i,of)+stt%strainTransFraction(s,of))*& - prm%C66_trans(1:6,1:6,s) + +(stt%stressTransFraction(i,of)+stt%strainTransFraction(i,of))*& + prm%C66_trans(1:6,1:6,i) enddo end associate end function plastic_dislotwin_homogenizedC @@ -1014,7 +1027,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) temperature !< temperature at IP integer(pInt) :: & - s, & + i, & of real(pReal) :: & sumf_twin,sfe,sumf_trans @@ -1044,10 +1057,10 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) ftransOverLamellarSize = sumf_trans/prm%lamellarsizePerTransSystem !ToDo: But this not ... !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation - forall (s = 1_pInt:prm%totalNslip) & - stt%invLambdaSlip(s,of) = & + forall (i = 1_pInt:prm%totalNslip) & + stt%invLambdaSlip(i,of) = & sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& - prm%forestProjectionEdge(1:prm%totalNslip,s)))/prm%CLambdaSlip(s) + prm%forestProjectionEdge(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) @@ -1075,15 +1088,15 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !$OMP END CRITICAL (evilmatmul) !* mean free path between 2 obstacles seen by a moving dislocation - do s = 1_pInt,prm%totalNslip + do i = 1_pInt,prm%totalNslip if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified - stt%mfp_slip(s,of) = & + stt%mfp_slip(i,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& - (stt%invLambdaSlip(s,of) + stt%invLambdaSlipTwin(s,of) + stt%invLambdaSlipTrans(s,of))) + (stt%invLambdaSlip(i,of) + stt%invLambdaSlipTwin(i,of) + stt%invLambdaSlipTrans(i,of))) else - stt%mfp_slip(s,of) = & + stt%mfp_slip(i,of) = & prm%GrainSize/& - (1.0_pReal+prm%GrainSize*(stt%invLambdaSlip(s,of))) !!!!!! correct? + (1.0_pReal+prm%GrainSize*(stt%invLambdaSlip(i,of))) !!!!!! correct? endif enddo @@ -1092,10 +1105,10 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) stt%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*stt%invLambdaTrans(:,of)) !* threshold stress for dislocation motion - forall (s = 1_pInt:prm%totalNslip) stt%threshold_stress_slip(s,of) = & - prm%mu*prm%burgers_slip(s)*& + forall (i = 1_pInt:prm%totalNslip) stt%threshold_stress_slip(i,of) = & + prm%mu*prm%burgers_slip(i)*& sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),& - prm%interaction_SlipSlip(s,1:prm%totalNslip))) + prm%interaction_SlipSlip(i,1:prm%totalNslip))) !* threshold stress for growing twin/martensite stt%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & @@ -1149,7 +1162,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(3,3), intent(out) :: Lp real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 - integer(pInt) :: of,j,k,l,m,n,s1,s2 + integer(pInt) :: of,i,k,l,m,n,s1,s2 real(pReal) :: sumf_twin,sumf_trans,StressRatio_p,StressRatio_pminus1,& StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & Ndot0_trans,StressRatio_s, & @@ -1201,29 +1214,29 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dLp_dS = 0.0_pReal S = math_Mandel6to33(Tstar_v) - slipContribution: do j = 1_pInt, prm%totalNslip + slipContribution: do i = 1_pInt, prm%totalNslip - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) - significantSlipStress: if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio = ((abs(tau)- stt%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+prm%tau_peierls(j))) - StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) ! ToDo: no very helpful - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) + significantSlipStress: if((abs(tau)-stt%threshold_stress_slip(i,of)) > tol_math_check) then + stressRatio = ((abs(tau)- stt%threshold_stress_slip(i,of))/& + (prm%SolidSolutionStrength+prm%tau_peierls(i))) + StressRatio_p = stressRatio** prm%p(i) + StressRatio_pminus1 = stressRatio**(prm%p(i)-1.0_pReal) ! ToDo: no very helpful + BoltzmannRatio = prm%Qedge(i)/(kB*Temperature) - gdot_slip(j) = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) & - * sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(j)), tau) - dgdot_dtau = abs(gdot_slip(j))*BoltzmannRatio*prm%p(j) * prm%q(j) & - / (prm%SolidSolutionStrength+prm%tau_peierls(j)) & - * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(j)-1.0_pReal) + gdot_slip(i) = stt%rhoEdge(i,of)*prm%burgers_slip(i)* prm%v0(i) & + * sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(i)), tau) + dgdot_dtau = abs(gdot_slip(i))*BoltzmannRatio*prm%p(i) * prm%q(i) & + / (prm%SolidSolutionStrength+prm%tau_peierls(i)) & + * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(i)-1.0_pReal) - Lp = Lp + gdot_slip(j)*prm%Schmid_slip(1:3,1:3,j) + Lp = Lp + gdot_slip(i)*prm%Schmid_slip(1:3,1:3,i) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau * prm%Schmid_slip(k,l,j) * prm%Schmid_slip(m,n,j) + + dgdot_dtau * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) else significantSlipStress - gdot_slip(j) = 0.0_pReal + gdot_slip(i) = 0.0_pReal endif significantSlipStress enddo slipContribution @@ -1237,9 +1250,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature BoltzmannRatio = prm%sbQedge/(kB*Temperature) call math_eigenValuesVectorsSym(S,eigValues,eigVectors,error) - do j = 1_pInt,6_pInt - sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,j)) - sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,j)) + do i = 1_pInt,6_pInt + sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,i)) + sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,i)) Schmid_shearBand = math_tensorproduct33(sb_s,sb_m) tau = math_mul33xx33(S,Schmid_shearBand) @@ -1259,71 +1272,71 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature endif shearBandingContribution - twinContibution: do j = 1_pInt, prm%totalNtwin + twinContibution: do i = 1_pInt, prm%totalNtwin - tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,i)) significantTwinStress: if (tau > tol_math_check) then - StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j) + StressRatio_r = (stt%threshold_stress_twin(i,of)/tau)**prm%r(i) isFCCtwin: if (prm%isFCC) then - s1=prm%fcc_twinNucleationSlipPair(1,j) - s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < mse%tau_r_twin(j,of)) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau < mse%tau_r_twin(i,of)) then Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& - (prm%L0_twin*prm%burgers_slip(j))*& + (prm%L0_twin*prm%burgers_slip(i))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (mse%tau_r_twin(j,of)-tau))) + (mse%tau_r_twin(i,of)-tau))) else Ndot0_twin=0.0_pReal end if else isFCCtwin - Ndot0_twin=prm%Ndot0_twin(j) + Ndot0_twin=prm%Ndot0_twin(i) endif isFCCtwin - gdot_twin = (1.0_pReal-sumf_twin-sumf_trans)* prm%shear_twin(j) * stt%twinVolume(j,of) & + gdot_twin = (1.0_pReal-sumf_twin-sumf_trans)* prm%shear_twin(i) * stt%twinVolume(i,of) & * Ndot0_twin*exp(-StressRatio_r) - dgdot_dtau = ((gdot_twin*prm%r(j))/tau)*StressRatio_r + dgdot_dtau = ((gdot_twin*prm%r(i))/tau)*StressRatio_r - Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,j) + Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,i) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau* prm%Schmid_twin(k,l,j)*prm%Schmid_twin(m,n,j) + + dgdot_dtau* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) endif significantTwinStress enddo twinContibution - transConstribution: do j = 1_pInt, prm%totalNtrans + transConstribution: do i = 1_pInt, prm%totalNtrans - tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) + tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) significantTransStress: if (tau > tol_math_check) then - StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j) + StressRatio_s = (stt%threshold_stress_trans(i,of)/tau)**prm%s(i) isFCCtrans: if (prm%isFCC) then - s1=prm%fcc_twinNucleationSlipPair(1,j) - s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < mse%tau_r_trans(j,of)) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau < mse%tau_r_trans(i,of)) then Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& - (prm%L0_trans*prm%burgers_slip(j))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(mse%tau_r_trans(j,of)-tau))) + (prm%L0_trans*prm%burgers_slip(i))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*(mse%tau_r_trans(i,of)-tau))) else Ndot0_trans=0.0_pReal end if else isFCCtrans - Ndot0_trans=prm%Ndot0_trans(j) + Ndot0_trans=prm%Ndot0_trans(i) endif isFCCtrans - gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* stt%martensiteVolume(j,of) & + gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* stt%martensiteVolume(i,of) & * Ndot0_trans*exp(-StressRatio_s) - dgdot_dtau = ((gdot_trans*prm%s(j))/tau)*StressRatio_s - Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,j) + dgdot_dtau = ((gdot_trans*prm%s(i))/tau)*StressRatio_s + Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,i) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau * prm%Schmid_trans(k,l,j)* prm%Schmid_trans(m,n,j) + + dgdot_dtau * prm%Schmid_trans(k,l,i)* prm%Schmid_trans(m,n,i) endif significantTransStress enddo transConstribution @@ -1362,8 +1375,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) ip, & !< integration point el !< element - integer(pInt) :: instance,j,s1,s2, & - ph, & + integer(pInt) :: i,s1,s2, & of real(pReal) :: sumf_twin,sumf_trans,StressRatio_p,BoltzmannRatio,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& @@ -1382,59 +1394,60 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Shortened notation of = phasememberAt(ipc,ip,el) - ph = material_phase(ipc,ip,el) S = math_Mandel6to33(Tstar_v) - plasticState(ph)%dotState(:,of) = 0.0_pReal + associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & dst => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el))), & mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) + dst%whole(:,of) = 0.0_pReal + sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) sumf_trans = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - slipState: do j = 1_pInt, prm%totalNslip + slipState: do i = 1_pInt, prm%totalNslip - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) - significantSlipStress1: if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio =((abs(tau)- stt%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+prm%tau_peierls(j))) - StressRatio_p = stressRatio** prm%p(j) - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - gdot_slip(j) = stt%rhoEdge(j,of)*prm%burgers_slip(j)*prm%v0(j) & - * sign(exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(j)),tau) + significantSlipStress1: if((abs(tau)-stt%threshold_stress_slip(i,of)) > tol_math_check) then + stressRatio =((abs(tau)- stt%threshold_stress_slip(i,of))/& + (prm%SolidSolutionStrength+prm%tau_peierls(i))) + StressRatio_p = stressRatio** prm%p(i) + BoltzmannRatio = prm%Qedge(i)/(kB*Temperature) + gdot_slip(i) = stt%rhoEdge(i,of)*prm%burgers_slip(i)*prm%v0(i) & + * sign(exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(i)),tau) else significantSlipStress1 - gdot_slip(j) = 0.0_pReal + gdot_slip(i) = 0.0_pReal endif significantSlipStress1 - DotRhoMultiplication = abs(gdot_slip(j))/(prm%burgers_slip(j)*stt%mfp_slip(j,of)) - EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(j) + DotRhoMultiplication = abs(gdot_slip(i))/(prm%burgers_slip(i)*stt%mfp_slip(i,of)) + EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(i) significantSlipStress2: if (dEq0(tau)) then DotRhoDipFormation = 0.0_pReal else significantSlipStress2 - EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(j))/& + EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(i))/& (16.0_pReal*PI*abs(tau)) - if (EdgeDipDistance>stt%mfp_slip(j,of)) EdgeDipDistance=stt%mfp_slip(j,of) + if (EdgeDipDistance>stt%mfp_slip(i,of)) EdgeDipDistance=stt%mfp_slip(i,of) if (EdgeDipDistance tol_math_check) then - StressRatio_r = (stt%threshold_stress_twin(j,of)/tau)**prm%r(j) + StressRatio_r = (stt%threshold_stress_twin(i,of)/tau)**prm%r(i) isFCCtwin: if (prm%isFCC) then - s1=prm%fcc_twinNucleationSlipPair(1,j) - s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < mse%tau_r_twin(j,of)) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau < mse%tau_r_twin(i,of)) then Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& - (prm%L0_twin*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (mse%tau_r_twin(j,of)-tau))) + (prm%L0_twin*prm%burgers_slip(i))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (mse%tau_r_twin(i,of)-tau))) else Ndot0_twin=0.0_pReal end if else isFCCtwin - Ndot0_twin=prm%Ndot0_twin(j) + Ndot0_twin=prm%Ndot0_twin(i) endif isFCCtwin - dst%twinFraction(j,of) = (1.0_pReal-sumf_twin-sumf_trans)*& - stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) - dst%accshear_twin(j,of) = dst%twinFraction(j,of) * prm%shear_twin(j) + dst%twinFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& + stt%twinVolume(i,of)*Ndot0_twin*exp(-StressRatio_r) + dst%accshear_twin(i,of) = dst%twinFraction(i,of) * prm%shear_twin(i) endif significantTwinStress enddo twinState - transState: do j = 1_pInt, prm%totalNtrans + transState: do i = 1_pInt, prm%totalNtrans - tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,j)) + tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) significantTransStress: if (tau > tol_math_check) then - StressRatio_s = (stt%threshold_stress_trans(j,of)/tau)**prm%s(j) + StressRatio_s = (stt%threshold_stress_trans(i,of)/tau)**prm%s(i) isFCCtrans: if (prm%isFCC) then - s1=prm%fcc_twinNucleationSlipPair(1,j) - s2=prm%fcc_twinNucleationSlipPair(2,j) - if (tau < mse%tau_r_trans(j,of)) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau < mse%tau_r_trans(i,of)) then Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& - (prm%L0_trans*prm%burgers_slip(j))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (mse%tau_r_trans(j,of)-tau))) + (prm%L0_trans*prm%burgers_slip(i))*(1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (mse%tau_r_trans(i,of)-tau))) else Ndot0_trans=0.0_pReal end if else isFCCtrans - Ndot0_trans=prm%Ndot0_trans(j) + Ndot0_trans=prm%Ndot0_trans(i) endif isFCCtrans - dst%strainTransFraction(j,of) = (1.0_pReal-sumf_twin-sumf_trans)*& - stt%martensiteVolume(j,of)*Ndot0_trans*exp(-StressRatio_s) + dst%strainTransFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& + stt%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s) !* Dotstate for accumulated shear due to transformation - !dst%accshear_trans(j,of) = dst%strainTransFraction(j,of) * & + !dst%accshear_trans(i,of) = dst%strainTransFraction(i,of) * & ! lattice_sheartrans(index_myfamily+i,ph) endif significantTransStress From 918de24f83d3557dcf624f0d737dbb2a6f6098ed Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 5 Sep 2018 16:46:38 +0200 Subject: [PATCH 050/143] using microstructure instead of 'dependent state' --- src/plastic_dislotwin.f90 | 232 ++++++++++++++------------------------ 1 file changed, 83 insertions(+), 149 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 7fa3d3845..bd84ff095 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -142,20 +142,7 @@ module plastic_dislotwin twinFraction, & accshear_twin, & stressTransFraction, & - strainTransFraction , & - invLambdaSlip, & - invLambdaSlipTwin, & - invLambdaTwin, & - invLambdaSlipTrans, & - invLambdaTrans, & - mfp_slip, & - mfp_twin, & - mfp_trans, & - threshold_stress_slip, & - threshold_stress_twin, & - threshold_stress_trans, & - twinVolume, & - martensiteVolume, & + strainTransFraction, & whole end type tDislotwinState @@ -218,7 +205,7 @@ subroutine plastic_dislotwin_init(fileUnit) math_Voigt66to3333, & math_mul3x3, & math_expand,& - pi + PI use mesh, only: & mesh_maxNips, & mesh_NcpElems @@ -246,7 +233,7 @@ subroutine plastic_dislotwin_init(fileUnit) integer(pInt), intent(in) :: fileUnit integer(pInt) :: Ninstances,& - f,instance,j,i,k,l,m,n,o,p,q,r,s,p1, & + f,j,i,k,l,m,n,o,p,q,r,s,p1, & offset_slip, index_myFamily, index_otherFamily, & startIndex, endIndex, outputSize integer(pInt) :: sizeState, sizeDotState, sizeDeltaState @@ -598,17 +585,10 @@ subroutine plastic_dislotwin_init(fileUnit) + int(size(['twinFraction','accsheartwin']),pInt) * prm%totalNtwin & + int(size(['stressTransFraction','strainTransFraction']),pInt) * prm%totalNtrans sizeDeltaState = 0_pInt - sizeState = sizeDotState & - + int(size(['invLambdaSlip ','invLambdaSlipTwin ','invLambdaSlipTrans',& - 'meanFreePathSlip ','tauSlipThreshold ']),pInt) * prm%totalNslip & - + int(size(['invLambdaTwin ','meanFreePathTwin','tauTwinThreshold',& - 'twinVolume ']),pInt) * prm%totalNtwin & - + int(size(['invLambdaTrans ','meanFreePathTrans','tauTransThreshold', & - 'martensiteVolume ']),pInt) * prm%totalNtrans + sizeState = sizeDotState + sizeDeltaState - plasticState(p)%sizeState = sizeState + plasticState(p)%sizeState = sizeDotState plasticState(p)%sizeDotState = sizeDotState - plasticState(p)%sizeDeltaState = sizeDeltaState plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,phase_plasticityInstance(p))) plasticState(p)%nSlip = prm%totalNslip plasticState(p)%nTwin = prm%totalNtwin @@ -629,6 +609,8 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(plasticState(p)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) if (any(numerics_integrator == 5_pInt)) & allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) + + ! ToDo: do later on offset_slip = 2_pInt*plasticState(p)%nslip plasticState(p)%slipRate => & plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) @@ -636,7 +618,8 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) - + ! ToDo: All these things are repeated for each constitutive law. Lattice can provide it as a 'sevice' + ! See 44 branch allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) @@ -746,7 +729,7 @@ subroutine plastic_dislotwin_init(fileUnit) enddo twinSystemsLoop enddo twinFamiliesLoop - prm%interaction_TwinSlip = temp1; deallocate(temp1) + prm%interaction_TwinSlip = temp1; deallocate(temp1) prm%interaction_TwinTwin = temp2; deallocate(temp2) @@ -812,10 +795,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo transSystemsLoop enddo transFamiliesLoop - - prm%interaction_TransSlip = temp1; deallocate(temp1) - prm%interaction_TransTrans = temp2; deallocate(temp2) + prm%interaction_TransTrans = temp2; deallocate(temp2) startIndex=1_pInt endIndex=prm%totalNslip @@ -862,94 +843,48 @@ subroutine plastic_dislotwin_init(fileUnit) stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) dst%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - stt%invLambdaSlip=>plasticState(p)%state(startIndex:endIndex,:) - invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) + + invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) ! calculation required? Seems to be the same as in microstructure forall (i = 1_pInt:prm%totalNslip) & invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & math_expand(prm%rhoDip0,prm%Nslip),prm%forestProjectionEdge(1:prm%totalNslip,i)))/ & prm%CLambdaSlip(i) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) + mse%invLambdaSlip = spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) + + + allocate(mse%invLambdaSlipTwin(prm%totalNslip,NofMyPhase),source=0.0_pReal) + allocate(mse%invLambdaTwin(prm%totalNtwin,NofMyPhase),source=0.0_pReal) + allocate(mse%invLambdaSlipTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + allocate(mse%invLambdaTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + + MeanFreePathSlip0 = prm%GrainSize/(1.0_pReal+invLambdaSlip0*prm%GrainSize) + mse%mfp_slip = spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - stt%invLambdaSlipTwin=>plasticState(p)%state(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal + MeanFreePathTwin0 = spread(prm%GrainSize,1,prm%totalNtwin) + mse%mfp_twin = spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - stt%invLambdaTwin=>plasticState(p)%state(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - stt%invLambdaSlipTrans=>plasticState(p)%state(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - stt%invLambdaTrans=>plasticState(p)%state(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = 0.0_pReal - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - stt%mfp_slip=>plasticState(p)%state(startIndex:endIndex,:) - MeanFreePathSlip0 = prm%GrainSize/(1.0_pReal+invLambdaSlip0*prm%GrainSize) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - stt%mfp_twin=>plasticState(p)%state(startIndex:endIndex,:) - MeanFreePathTwin0 = spread(prm%GrainSize,1,prm%totalNtwin) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - stt%mfp_trans=>plasticState(p)%state(startIndex:endIndex,:) MeanFreePathTrans0 = spread(prm%GrainSize,1,prm%totalNtrans) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) + mse%mfp_trans = spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNslip - stt%threshold_stress_slip=>plasticState(p)%state(startIndex:endIndex,:) - tauSlipThreshold0 = spread(0.0_pReal,1,prm%totalNslip) + tauSlipThreshold0 = spread(0.0_pReal,1,prm%totalNslip) forall (i = 1_pInt:prm%totalNslip) tauSlipThreshold0(i) = & - lattice_mu(p)*prm%burgers_slip(i) * & - sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,prm%Nslip),& - prm%interaction_SlipSlip(i,1:prm%totalNslip))) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(tauSlipThreshold0,prm%Nslip),2, NofMyPhase) + prm%mu*prm%burgers_slip(i) * sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,prm%Nslip),& + prm%interaction_SlipSlip(i,1:prm%totalNslip))) + mse%threshold_stress_slip = spread(math_expand(tauSlipThreshold0,prm%Nslip),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - stt%threshold_stress_twin=>plasticState(p)%state(startIndex:endIndex,:) + allocate(mse%threshold_stress_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) + allocate(mse%threshold_stress_trans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - stt%threshold_stress_trans=>plasticState(p)%state(startIndex:endIndex,:) - - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtwin - stt%twinVolume=>plasticState(p)%state(startIndex:endIndex,:) TwinVolume0= spread(0.0_pReal,1,prm%totalNtwin) forall (i = 1_pInt:prm%totalNtwin) TwinVolume0(i) = & (PI/4.0_pReal)*prm%twinsize(i)*MeanFreePathTwin0(i)**2.0_pReal - plasticState(p)%state0(startIndex:endIndex,:) = & + mse%twinVolume = & spread(math_expand(TwinVolume0,prm%Ntwin),2, NofMyPhase) - startIndex=endIndex+1 - endIndex=endIndex+prm%totalNtrans - stt%martensiteVolume=>plasticState(p)%state(startIndex:endIndex,:) MartensiteVolume0= spread(0.0_pReal,1,prm%totalNtrans) forall (i = 1_pInt:prm%totalNtrans) MartensiteVolume0(i) = & (PI/4.0_pReal)*prm%lamellarsizePerTransSystem(i)*MeanFreePathTrans0(i)**2.0_pReal - plasticState(p)%state0(startIndex:endIndex,:) = & + mse%martensiteVolume = & spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) dst%whole => plasticState(p)%dotState @@ -1043,7 +978,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) of = phasememberAt(ipc,ip,el) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& - stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & + stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))),& mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of)) @@ -1058,69 +993,69 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (i = 1_pInt:prm%totalNslip) & - stt%invLambdaSlip(i,of) = & + mse%invLambdaSlip(i,of) = & sqrt(dot_product((stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of)),& prm%forestProjectionEdge(1:prm%totalNslip,i)))/prm%CLambdaSlip(i) !* 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation !$OMP CRITICAL (evilmatmul) if (prm%totalNtwin > 0_pInt .and. prm%totalNslip > 0_pInt) & - stt%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & + mse%invLambdaSlipTwin(1_pInt:prm%totalNslip,of) = & matmul(prm%interaction_SlipTwin,fOverStacksize)/(1.0_pReal-sumf_twin) !* 1/mean free distance between 2 twin stacks from different systems seen by a growing twin !ToDo: needed? if (prm%totalNtwin > 0_pInt) & - stt%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & + mse%invLambdaTwin(1_pInt:prm%totalNtwin,of) = & matmul(prm%interaction_TwinTwin,fOverStacksize)/(1.0_pReal-sumf_twin) !* 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation if (prm%totalNtrans > 0_pInt .and. prm%totalNslip > 0_pInt) & - stt%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & + mse%invLambdaSlipTrans(1_pInt:prm%totalNslip,of) = & matmul(prm%interaction_SlipTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) !* 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite (1/lambda_trans) !ToDo: needed? if (prm%totalNtrans > 0_pInt) & - stt%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & + mse%invLambdaTrans(1_pInt:prm%totalNtrans,of) = & matmul(prm%interaction_TransTrans,ftransOverLamellarSize)/(1.0_pReal-sumf_trans) !$OMP END CRITICAL (evilmatmul) !* mean free path between 2 obstacles seen by a moving dislocation do i = 1_pInt,prm%totalNslip if ((prm%totalNtwin > 0_pInt) .or. (prm%totalNtrans > 0_pInt)) then ! ToDo: This is too simplified - stt%mfp_slip(i,of) = & + mse%mfp_slip(i,of) = & prm%GrainSize/(1.0_pReal+prm%GrainSize*& - (stt%invLambdaSlip(i,of) + stt%invLambdaSlipTwin(i,of) + stt%invLambdaSlipTrans(i,of))) + (mse%invLambdaSlip(i,of) + mse%invLambdaSlipTwin(i,of) + mse%invLambdaSlipTrans(i,of))) else - stt%mfp_slip(i,of) = & + mse%mfp_slip(i,of) = & prm%GrainSize/& - (1.0_pReal+prm%GrainSize*(stt%invLambdaSlip(i,of))) !!!!!! correct? + (1.0_pReal+prm%GrainSize*(mse%invLambdaSlip(i,of))) !!!!!! correct? endif enddo !* mean free path between 2 obstacles seen by a growing twin/martensite - stt%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*stt%invLambdaTwin(:,of)) - stt%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*stt%invLambdaTrans(:,of)) + mse%mfp_twin(:,of) = prm%Cmfptwin*prm%GrainSize/ (1.0_pReal+prm%GrainSize*mse%invLambdaTwin(:,of)) + mse%mfp_trans(:,of) = prm%Cmfptrans*prm%GrainSize/(1.0_pReal+prm%GrainSize*mse%invLambdaTrans(:,of)) !* threshold stress for dislocation motion - forall (i = 1_pInt:prm%totalNslip) stt%threshold_stress_slip(i,of) = & + forall (i = 1_pInt:prm%totalNslip) mse%threshold_stress_slip(i,of) = & prm%mu*prm%burgers_slip(i)*& sqrt(dot_product(stt%rhoEdge(1_pInt:prm%totalNslip,of)+stt%rhoEdgeDip(1_pInt:prm%totalNslip,of),& prm%interaction_SlipSlip(i,1:prm%totalNslip))) !* threshold stress for growing twin/martensite - stt%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & + mse%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & (sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ & (prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct? - stt%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & + mse%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/& (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) ! final volume after growth - stt%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*stt%mfp_twin(:,of)**2.0_pReal - stt%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*stt%mfp_trans(:,of)**2.0_pReal + mse%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*mse%mfp_twin(:,of)**2.0_pReal + mse%martensiteVolume(:,of) = (PI/4.0_pReal)*prm%lamellarsizePerTransSystem*mse%mfp_trans(:,of)**2.0_pReal !* equilibrium separation of partial dislocations (twin) x0 = prm%mu*prm%burgers_twin**2.0_pReal/(sfe*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) @@ -1206,9 +1141,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of)) + sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of)) sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & - + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) Lp = 0.0_pReal dLp_dS = 0.0_pReal @@ -1218,8 +1153,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) - significantSlipStress: if((abs(tau)-stt%threshold_stress_slip(i,of)) > tol_math_check) then - stressRatio = ((abs(tau)- stt%threshold_stress_slip(i,of))/& + significantSlipStress: if((abs(tau)-mse%threshold_stress_slip(i,of)) > tol_math_check) then + stressRatio = ((abs(tau)- mse%threshold_stress_slip(i,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(i))) StressRatio_p = stressRatio** prm%p(i) StressRatio_pminus1 = stressRatio**(prm%p(i)-1.0_pReal) ! ToDo: no very helpful @@ -1277,7 +1212,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,i)) significantTwinStress: if (tau > tol_math_check) then - StressRatio_r = (stt%threshold_stress_twin(i,of)/tau)**prm%r(i) + StressRatio_r = (mse%threshold_stress_twin(i,of)/tau)**prm%r(i) isFCCtwin: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,i) @@ -1295,7 +1230,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Ndot0_twin=prm%Ndot0_twin(i) endif isFCCtwin - gdot_twin = (1.0_pReal-sumf_twin-sumf_trans)* prm%shear_twin(i) * stt%twinVolume(i,of) & + gdot_twin = (1.0_pReal-sumf_twin-sumf_trans)* prm%shear_twin(i) * mse%twinVolume(i,of) & * Ndot0_twin*exp(-StressRatio_r) dgdot_dtau = ((gdot_twin*prm%r(i))/tau)*StressRatio_r @@ -1312,7 +1247,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) significantTransStress: if (tau > tol_math_check) then - StressRatio_s = (stt%threshold_stress_trans(i,of)/tau)**prm%s(i) + StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i) isFCCtrans: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,i) @@ -1329,7 +1264,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Ndot0_trans=prm%Ndot0_trans(i) endif isFCCtrans - gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* stt%martensiteVolume(i,of) & + gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* mse%martensiteVolume(i,of) & * Ndot0_trans*exp(-StressRatio_s) dgdot_dtau = ((gdot_trans*prm%s(i))/tau)*StressRatio_s Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,i) @@ -1414,8 +1349,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) - significantSlipStress1: if((abs(tau)-stt%threshold_stress_slip(i,of)) > tol_math_check) then - stressRatio =((abs(tau)- stt%threshold_stress_slip(i,of))/& + significantSlipStress1: if((abs(tau)-mse%threshold_stress_slip(i,of)) > tol_math_check) then + stressRatio =((abs(tau)- mse%threshold_stress_slip(i,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(i))) StressRatio_p = stressRatio** prm%p(i) BoltzmannRatio = prm%Qedge(i)/(kB*Temperature) @@ -1425,7 +1360,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) gdot_slip(i) = 0.0_pReal endif significantSlipStress1 - DotRhoMultiplication = abs(gdot_slip(i))/(prm%burgers_slip(i)*stt%mfp_slip(i,of)) + DotRhoMultiplication = abs(gdot_slip(i))/(prm%burgers_slip(i)*mse%mfp_slip(i,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(i) significantSlipStress2: if (dEq0(tau)) then @@ -1433,7 +1368,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else significantSlipStress2 EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(i))/& (16.0_pReal*PI*abs(tau)) - if (EdgeDipDistance>stt%mfp_slip(i,of)) EdgeDipDistance=stt%mfp_slip(i,of) + if (EdgeDipDistance>mse%mfp_slip(i,of)) EdgeDipDistance=mse%mfp_slip(i,of) if (EdgeDipDistance tol_math_check) then - StressRatio_r = (stt%threshold_stress_twin(i,of)/tau)**prm%r(i) + StressRatio_r = (mse%threshold_stress_twin(i,of)/tau)**prm%r(i) isFCCtwin: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) @@ -1488,7 +1423,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) Ndot0_twin=prm%Ndot0_twin(i) endif isFCCtwin dst%twinFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& - stt%twinVolume(i,of)*Ndot0_twin*exp(-StressRatio_r) + mse%twinVolume(i,of)*Ndot0_twin*exp(-StressRatio_r) dst%accshear_twin(i,of) = dst%twinFraction(i,of) * prm%shear_twin(i) endif significantTwinStress @@ -1499,7 +1434,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) significantTransStress: if (tau > tol_math_check) then - StressRatio_s = (stt%threshold_stress_trans(i,of)/tau)**prm%s(i) + StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i) isFCCtrans: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) @@ -1515,7 +1450,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) Ndot0_trans=prm%Ndot0_trans(i) endif isFCCtrans dst%strainTransFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& - stt%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s) + mse%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s) !* Dotstate for accumulated shear due to transformation !dst%accshear_trans(i,of) = dst%strainTransFraction(i,of) * & ! lattice_sheartrans(index_myfamily+i,ph) @@ -1597,8 +1532,8 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos case (shear_rate_slip_ID) do j = 1_pInt, prm%totalNslip tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then + stressRatio = ((abs(tau)-mse%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j))) StressRatio_p = stressRatio** prm%p(j) @@ -1618,7 +1553,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (mfp_slip_ID) - postResults(c+1_pInt:c+prm%totalNslip) = stt%mfp_slip(1_pInt:prm%totalNslip,of) + postResults(c+1_pInt:c+prm%totalNslip) = mse%mfp_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (resolved_stress_slip_ID) do j = 1_pInt, prm%totalNslip @@ -1626,13 +1561,13 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos enddo c = c + prm%totalNslip case (threshold_stress_slip_ID) - postResults(c+1_pInt:c+prm%totalNslip) = stt%threshold_stress_slip(1_pInt:prm%totalNslip,of) + postResults(c+1_pInt:c+prm%totalNslip) = mse%threshold_stress_slip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (edge_dipole_distance_ID) do j = 1_pInt, prm%totalNslip postResults(c+j) = (3.0_pReal*prm%mu*prm%burgers_slip(j)) & / (16.0_pReal*PI*abs(math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)))) - postResults(c+j)=min(postResults(c+j),stt%mfp_slip(j,of)) + postResults(c+j)=min(postResults(c+j),mse%mfp_slip(j,of)) ! postResults(c+j)=max(postResults(c+j),& ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) enddo @@ -1664,12 +1599,12 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos case (shear_rate_twin_ID) do j = 1_pInt, prm%totalNslip tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then - StressRatio_p = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then + StressRatio_p = ((abs(tau)-mse%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& **prm%p(j) - StressRatio_pminus1 = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + StressRatio_pminus1 = ((abs(tau)-mse%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& **(prm%p(j)-1.0_pReal) @@ -1701,9 +1636,9 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos else isFCCtwin Ndot0_twin=prm%Ndot0_twin(j) endif isFCCtwin - StressRatio_r = (stt%threshold_stress_twin(j,of)/tau) **prm%r(j) + StressRatio_r = (mse%threshold_stress_twin(j,of)/tau) **prm%r(j) postResults(c+j) = (prm%MaxTwinFraction-sumf_twin)*prm%shear_twin(j) & - * stt%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) + * mse%twinVolume(j,of)*Ndot0_twin*exp(-StressRatio_r) endif enddo c = c + prm%totalNtwin @@ -1711,7 +1646,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos postResults(c+1_pInt:c+prm%totalNtwin) = stt%accshear_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (mfp_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = stt%mfp_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = mse%mfp_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (resolved_stress_twin_ID) do j = 1_pInt, prm%totalNtwin @@ -1719,17 +1654,17 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos enddo c = c + prm%totalNtwin case (threshold_stress_twin_ID) - postResults(c+1_pInt:c+prm%totalNtwin) = stt%threshold_stress_twin(1_pInt:prm%totalNtwin,of) + postResults(c+1_pInt:c+prm%totalNtwin) = mse%threshold_stress_twin(1_pInt:prm%totalNtwin,of) c = c + prm%totalNtwin case (stress_exponent_ID) do j = 1_pInt, prm%totalNslip tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) - if((abs(tau)-stt%threshold_stress_slip(j,of)) > tol_math_check) then - StressRatio_p = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then + StressRatio_p = ((abs(tau)-mse%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& **prm%p(j) - StressRatio_pminus1 = ((abs(tau)-stt%threshold_stress_slip(j,of))/& + StressRatio_pminus1 = ((abs(tau)-mse%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& prm%tau_peierls(j)))& **(prm%p(j)-1.0_pReal) @@ -1750,8 +1685,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos enddo c = c + prm%totalNslip case (stress_trans_fraction_ID) - postResults(c+1_pInt:c+prm%totalNtrans) = & - stt%stressTransFraction(1_pInt:prm%totalNtrans,of) + postResults(c+1_pInt:c+prm%totalNtrans) = stt%stressTransFraction(1_pInt:prm%totalNtrans,of) c = c + prm%totalNtrans case (strain_trans_fraction_ID) postResults(c+1_pInt:c+prm%totalNtrans) = stt%strainTransFraction(1_pInt:prm%totalNtrans,of) From 0f084a984480ac339bb944b68435a181562fd8b4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 5 Sep 2018 23:39:54 +0200 Subject: [PATCH 051/143] cleaning output --- src/plastic_dislotwin.f90 | 7 ------- 1 file changed, 7 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index bd84ff095..54f475237 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -37,11 +37,8 @@ module plastic_dislotwin threshold_stress_twin_ID, & resolved_stress_shearband_ID, & shear_rate_shearband_ID, & - sb_eigenvalues_ID, & - sb_eigenvectors_ID, & stress_trans_fraction_ID, & strain_trans_fraction_ID, & - trans_fraction_ID end enum type,private :: tParameters @@ -1690,10 +1687,6 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos case (strain_trans_fraction_ID) postResults(c+1_pInt:c+prm%totalNtrans) = stt%strainTransFraction(1_pInt:prm%totalNtrans,of) c = c + prm%totalNtrans - case (trans_fraction_ID) !ToDo: deprecated - postResults(c+1_pInt:c+prm%totalNtrans) = stt%stressTransFraction(1_pInt:prm%totalNtrans,of) & - + stt%strainTransFraction(1_pInt:prm%totalNtrans,of) - c = c + prm%totalNtrans end select enddo end associate From 8b3d30fdd469cb04977d9f0440d23d730c1eed1f Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 5 Sep 2018 23:41:35 +0200 Subject: [PATCH 052/143] don't know what happend to the copyright note --- src/plastic_dislotwin.f90 | 16 +++++++++------- 1 file changed, 9 insertions(+), 7 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 54f475237..8fad16cde 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1,4 +1,8 @@ !-------------------------------------------------------------------------------------------------- +!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH +!> @author Su Leen Wong, Max-Planck-Institut für Eisenforschung GmbH +!> @author Nan Jia, Max-Planck-Institut für Eisenforschung GmbH +!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @brief material subroutine incoprorating dislocation and twinning physics !> @details to be done @@ -38,7 +42,7 @@ module plastic_dislotwin resolved_stress_shearband_ID, & shear_rate_shearband_ID, & stress_trans_fraction_ID, & - strain_trans_fraction_ID, & + strain_trans_fraction_ID end enum type,private :: tParameters @@ -131,8 +135,7 @@ module plastic_dislotwin type, private :: tDislotwinState - - real(pReal), pointer, dimension(:,:) :: & + real(pReal), pointer, dimension(:,:) :: & rhoEdge, & rhoEdgeDip, & accshear_slip, & @@ -290,6 +293,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),Ninstances),source=0_pInt) allocate(plastic_dislotwin_output(maxval(phase_Noutput),Ninstances)) plastic_dislotwin_output = '' + allocate(param(Ninstances)) allocate(state(Ninstances)) allocate(dotState(Ninstances)) @@ -502,9 +506,6 @@ subroutine plastic_dislotwin_init(fileUnit) case ('strain_trans_fraction') outputID = strain_trans_fraction_ID outputSize = prm%totalNtrans - case ('trans_fraction','total_trans_fraction') - outputID = trans_fraction_ID - outputSize = prm%totalNtrans end select @@ -938,7 +939,8 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) enddo end associate end function plastic_dislotwin_homogenizedC - + + !-------------------------------------------------------------------------------------------------- !> @brief calculates derived quantities from state !-------------------------------------------------------------------------------------------------- From 6127a43a14604a7593b7dea7c05116f09efd2c32 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 11 Sep 2018 17:05:33 +0200 Subject: [PATCH 053/143] some keywords have been updated --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index 2c40bb79f..df3b567c9 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 2c40bb79f9a57d2178eb7be0e533fd5104f9f87e +Subproject commit df3b567c90dbcb291a5c2563d3984fce346cb55b From d7023096ad79bd440fddeebc266d6898f41bba75 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 12 Sep 2018 13:25:18 +0200 Subject: [PATCH 054/143] introduced kinetics, not in use yet --- src/plastic_dislotwin.f90 | 58 ++++++++++++++++++++++++++++++++++++++- 1 file changed, 57 insertions(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 8fad16cde..53084fcfa 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1460,7 +1460,63 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) end associate end subroutine plastic_dislotwin_dotState - + +!-------------------------------------------------------------------------------------------------- +!> @brief calculates shear rates on slip systems +!-------------------------------------------------------------------------------------------------- +subroutine kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) + use prec, only: & + tol_math_check, & + dNeq0 + use math, only: & + math_mul33xx33 + + implicit none + type(tParameters), intent(in) :: & + prm + type(tDislotwinState), intent(in) :: & + stt + integer(pInt), intent(in) :: & + of + type(tDislotwinMicrostructure) :: & + mse + real, dimension(prm%totalNslip), intent(out) :: & + gdot_slip + real, dimension(prm%totalNslip), optional, intent(out) :: & + dgdot_dtau_slip + real(pReal), dimension(3,3), intent(in) :: & + S + real(pReal), intent(in) :: & + temperature + + real, dimension(prm%totalNslip) :: & + tau_slip, & + stressRatio, & + StressRatio_p, & + BoltzmannRatio + integer(pInt) :: i + + do i = 1_pInt, prm%totalNslip + tau_slip = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) + enddo + + where((abs(tau_slip)-mse%threshold_stress_slip(:,of)) > tol_math_check) + stressRatio = ((abs(tau_slip)- mse%threshold_stress_slip(:,of))/& + (prm%SolidSolutionStrength+prm%tau_peierls(:))) + StressRatio_p = stressRatio** prm%p + BoltzmannRatio = prm%Qedge/(kB*Temperature) + gdot_slip = stt%rhoEdge(:,of)*prm%burgers_slip* prm%v0 & + * sign(exp(-BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q), tau_slip) + dgdot_dtau_slip = abs(gdot_slip)*BoltzmannRatio*prm%p * prm%q & + / (prm%SolidSolutionStrength+prm%tau_peierls) & + * stressRatio**(prm%p-1.0_pReal)*(1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) + else where + gdot_slip = 0.0_pReal + dgdot_dtau_slip = 0.0_pReal + end where + + +end subroutine !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results From b753a86d13cc1a4c5ad179ac5e3931c1be9c35ff Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 12 Sep 2018 15:27:47 +0200 Subject: [PATCH 055/143] cleaning --- src/plastic_dislotwin.f90 | 41 ++++++++++++++++++--------------------- 1 file changed, 19 insertions(+), 22 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 53084fcfa..e5c7c48f0 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -201,6 +201,7 @@ subroutine plastic_dislotwin_init(fileUnit) debug_constitutive,& debug_levelBasic use math, only: & + math_rotate_forward3333, & math_Mandel3333to66, & math_Voigt66to3333, & math_mul3x3, & @@ -240,9 +241,8 @@ subroutine plastic_dislotwin_init(fileUnit) integer(pInt) :: NofMyPhase integer(kind(undefined_ID)) outputID - real(pReal), dimension(:,:,:,:,:), allocatable :: & - Ctwin3333, & !< twin elasticity matrix - Ctrans3333 !< trans elasticity matrix + real(pReal), dimension(3,3,3,3) :: & + temp3333 real(pReal), allocatable, dimension(:) :: & invLambdaSlip0,& @@ -673,8 +673,6 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal) - if (allocated(Ctwin3333)) deallocate(Ctwin3333) - allocate(Ctwin3333(3,3,3,3,prm%totalNtwin), source=0.0_pReal) allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal) if (lattice_structure(p) == LATTICE_fcc_ID) & allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0_pInt) @@ -689,20 +687,21 @@ subroutine plastic_dislotwin_init(fileUnit) if (lattice_structure(p) == LATTICE_fcc_ID) prm%fcc_twinNucleationSlipPair(1:2,i) = & lattice_fcc_twinNucleationSlipPair(1:2,sum(lattice_Ntwinsystem(1:f-1,p))+j) !* Rotate twin elasticity matrices + temp3333 = 0.0_pReal index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - Ctwin3333(l,m,n,o,index_myFamily+j) = & - Ctwin3333(l,m,n,o,index_myFamily+j) + & - lattice_C3333(p1,q,r,s,p) * & + temp3333(l,m,n,o) = & + temp3333(l,m,n,o) + & lattice_Qtwin(l,p1,index_otherFamily+j,p) * & lattice_Qtwin(m,q,index_otherFamily+j,p) * & lattice_Qtwin(n,r,index_otherFamily+j,p) * & - lattice_Qtwin(o,s,index_otherFamily+j,p) + lattice_Qtwin(o,s,index_otherFamily+j,p) * lattice_C3333(p1,q,r,s,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo - prm%C66_twin(1:6,1:6,index_myFamily+j) = & - math_Mandel3333to66(Ctwin3333(1:3,1:3,1:3,1:3,index_myFamily+j)) + prm%C66_twin(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333) + if (any(dNeq0(temp3333-math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),& + lattice_Qtwin(1:3,1:3,index_otherFamily+j,p))))) print*, 'mist' !* Interaction matrices do o = 1_pInt,size(prm%Nslip,1) @@ -733,31 +732,29 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNtrans,prm%totalNtrans), source =0.0_pReal) - allocate(prm%C66_trans(6,6,prm%totalNtrans) ,source=0.0_pReal) - if (allocated(Ctrans3333)) deallocate(Ctrans3333) - allocate(Ctrans3333(3,3,3,3,prm%totalNtrans), source=0.0_pReal) + allocate(prm%C66_trans(6,6,prm%totalNtrans) ,source=0.0_pReal) allocate(prm%Schmid_trans(3,3,prm%totalNtrans),source = 0.0_pReal) i = 0_pInt transFamiliesLoop: do f = 1_pInt,size(prm%Ntrans,1) - index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list + index_myFamily = sum(prm%Ntrans(1:f-1_pInt)) ! index in truncated trans system list transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) i = i + 1_pInt prm%Schmid_trans(1:3,1:3,i) = lattice_Strans(1:3,1:3,sum(lattice_Ntranssystem(1:f-1,p))+j,p) index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list + temp3333 = 0.0_pReal do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - Ctrans3333(l,m,n,o,index_myFamily+j) = & - Ctrans3333(l,m,n,o,index_myFamily+j) + & - lattice_trans_C3333(p1,q,r,s,p) * & + temp3333(l,m,n,o) = & + temp3333(l,m,n,o) + & lattice_Qtrans(l,p1,index_otherFamily+j,p) * & lattice_Qtrans(m,q,index_otherFamily+j,p) * & lattice_Qtrans(n,r,index_otherFamily+j,p) * & - lattice_Qtrans(o,s,index_otherFamily+j,p) + lattice_Qtrans(o,s,index_otherFamily+j,p)* lattice_trans_C3333(p1,q,r,s,p) enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo - prm%C66_trans(1:6,1:6,index_myFamily+j) = & - math_Mandel3333to66(Ctrans3333(1:3,1:3,1:3,1:3,index_myFamily+j)) - + prm%C66_trans(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333) + if (any(dNeq0(temp3333-math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),& + lattice_Qtrans(1:3,1:3,index_otherFamily+j,p))))) print*, 'mist' !* Interaction matrices do o = 1_pInt,size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) From ac3625afbafe8b3c6312013976daf449d2463eff Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 12 Sep 2018 20:42:57 +0200 Subject: [PATCH 056/143] array access out of bounds --- src/plastic_dislotwin.f90 | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index e5c7c48f0..d840e19c4 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -399,9 +399,10 @@ subroutine plastic_dislotwin_init(fileUnit) prm%lamellarsizePerTransSystem = config_phase(p)%getFloats('lamellarsize') prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans) prm%s = config_phase(p)%getFloats('s_trans',defaultVal=[0.0_pReal]) + prm%s = math_expand(prm%s,prm%Ntrans) endif - if (sum(prm%Ntwin) > 0_pInt .or. sum(prm%Ntrans) > 0_pInt) then + if (sum(prm%Ntwin) > 0_pInt .or. prm%totalNtrans > 0_pInt) then prm%SFE_0K = config_phase(p)%getFloat('sfe_0k') prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt') prm%VcrossSlip = config_phase(p)%getFloat('vcrossslip') From 66edad1cf8a0813272f3ee15f11598a469848088 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 12 Sep 2018 22:07:59 +0200 Subject: [PATCH 057/143] avoid code doubling shear rates needed multiple times. For now, just introduced but not used. Will become active once the test passes again --- src/plastic_dislotwin.f90 | 107 ++++++++++++++++++++++++++++++++------ 1 file changed, 91 insertions(+), 16 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index d840e19c4..85234ae4f 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1227,8 +1227,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Ndot0_twin=prm%Ndot0_twin(i) endif isFCCtwin - gdot_twin = (1.0_pReal-sumf_twin-sumf_trans)* prm%shear_twin(i) * mse%twinVolume(i,of) & - * Ndot0_twin*exp(-StressRatio_r) + gdot_twin = prm%shear_twin(i) * mse%twinVolume(i,of) * Ndot0_twin*exp(-StressRatio_r) + gdot_twin = (1.0_pReal-sumf_twin-sumf_trans) * gdot_twin dgdot_dtau = ((gdot_twin*prm%r(i))/tau)*StressRatio_r Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,i) @@ -1261,8 +1261,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Ndot0_trans=prm%Ndot0_trans(i) endif isFCCtrans - gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* mse%martensiteVolume(i,of) & - * Ndot0_trans*exp(-StressRatio_s) + gdot_trans = mse%martensiteVolume(i,of) * Ndot0_trans*exp(-StressRatio_s) + gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* gdot_trans dgdot_dtau = ((gdot_trans*prm%s(i))/tau)*StressRatio_s Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,i) @@ -1482,40 +1482,115 @@ subroutine kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) gdot_slip real, dimension(prm%totalNslip), optional, intent(out) :: & dgdot_dtau_slip + real, dimension(prm%totalNslip) :: & + dgdot_dtau real(pReal), dimension(3,3), intent(in) :: & S real(pReal), intent(in) :: & temperature real, dimension(prm%totalNslip) :: & - tau_slip, & + tau, & stressRatio, & StressRatio_p, & BoltzmannRatio integer(pInt) :: i do i = 1_pInt, prm%totalNslip - tau_slip = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) + tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) enddo - where((abs(tau_slip)-mse%threshold_stress_slip(:,of)) > tol_math_check) - stressRatio = ((abs(tau_slip)- mse%threshold_stress_slip(:,of))/& + significantStress: where((abs(tau)-mse%threshold_stress_slip(:,of)) > tol_math_check) + stressRatio = ((abs(tau)- mse%threshold_stress_slip(:,of))/& (prm%SolidSolutionStrength+prm%tau_peierls(:))) StressRatio_p = stressRatio** prm%p BoltzmannRatio = prm%Qedge/(kB*Temperature) gdot_slip = stt%rhoEdge(:,of)*prm%burgers_slip* prm%v0 & - * sign(exp(-BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q), tau_slip) - dgdot_dtau_slip = abs(gdot_slip)*BoltzmannRatio*prm%p * prm%q & - / (prm%SolidSolutionStrength+prm%tau_peierls) & - * stressRatio**(prm%p-1.0_pReal)*(1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) - else where + * sign(exp(-BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q), tau) + dgdot_dtau = abs(gdot_slip)*BoltzmannRatio*prm%p * prm%q & + / (prm%SolidSolutionStrength+prm%tau_peierls) & + * stressRatio**(prm%p-1.0_pReal)*(1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) + else where significantStress gdot_slip = 0.0_pReal - dgdot_dtau_slip = 0.0_pReal - end where - + dgdot_dtau = 0.0_pReal + end where significantStress + + if(present(dgdot_dtau_slip)) dgdot_dtau_slip = dgdot_dtau end subroutine +!-------------------------------------------------------------------------------------------------- +!> @brief calculates shear rates on slip systems +!-------------------------------------------------------------------------------------------------- +subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) + use prec, only: & + tol_math_check, & + dNeq0 + use math, only: & + math_mul33xx33 + + implicit none + type(tParameters), intent(in) :: & + prm + type(tDislotwinState), intent(in) :: & + stt + integer(pInt), intent(in) :: & + of + type(tDislotwinMicrostructure) :: & + mse + real, dimension(prm%totalNslip), intent(out) :: & + gdot_slip + real, dimension(prm%totalNtwin), intent(out) :: & + gdot_twin + real, dimension(prm%totalNtwin), optional, intent(out) :: & + dgdot_dtau_twin + real(pReal), dimension(3,3), intent(in) :: & + S + real(pReal), intent(in) :: & + temperature + + real, dimension(prm%totalNtwin) :: & + tau, & + Ndot0_twin, & + stressRatio_r, & + dgdot_dtau + + integer(pInt) :: i,s1,s2 + + do i = 1_pInt, prm%totalNtwin + tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,i)) + isFCC: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau(i) < mse%tau_r_twin(i,of)) then + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_twin*prm%burgers_slip(i))*& + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (mse%tau_r_twin(i,of)-tau))) + else + Ndot0_twin=0.0_pReal + end if + else isFCC + Ndot0_twin=prm%Ndot0_twin(i) + endif isFCC + enddo + + + significantStress: where(tau > tol_math_check) + StressRatio_r = (mse%threshold_stress_twin(:,of)/tau)**prm%r + gdot_twin = prm%shear_twin * mse%twinVolume(:,of) * Ndot0_twin*exp(-StressRatio_r) + dgdot_dtau = ((gdot_twin*prm%r)/tau)*StressRatio_r + else where significantStress + gdot_twin = 0.0_pReal + dgdot_dtau = 0.0_pReal + end where significantStress + + if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau + +end subroutine + + !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- From 8baa4f9c810ce009706143ea006f4e24e5fe9560 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 13 Sep 2018 06:12:32 +0200 Subject: [PATCH 058/143] need to avoid array access out of bounds --- src/plastic_dislotwin.f90 | 30 +++++++++++++++--------------- 1 file changed, 15 insertions(+), 15 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index d840e19c4..9d8c67fbc 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -448,50 +448,50 @@ subroutine plastic_dislotwin_init(fileUnit) outputID = undefined_ID select case(outputs(i)) case ('edge_density') - outputID = edge_density_ID + outputID = merge(edge_density_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('dipole_density') - outputID = dipole_density_ID + outputID = merge(dipole_density_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('shear_rate_slip','shearrate_slip') - outputID = shear_rate_slip_ID + outputID = merge(shear_rate_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('accumulated_shear_slip') - outputID = accumulated_shear_slip_ID + outputID = merge(accumulated_shear_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('mfp_slip') - outputID = mfp_slip_ID + outputID = merge(mfp_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('resolved_stress_slip') - outputID = resolved_stress_slip_ID + outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('threshold_stress_slip') - outputID= threshold_stress_slip_ID + outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('edge_dipole_distance') - outputID = edge_dipole_distance_ID + outputID = merge(edge_dipole_distance_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('stress_exponent') - outputID = stress_exponent_ID + outputID = merge(stress_exponent_ID,undefined_ID,prm%totalNslip > 0_pInt) outputSize = prm%totalNslip case ('twin_fraction') - outputID = twin_fraction_ID + outputID = merge(twin_fraction_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('shear_rate_twin','shearrate_twin') - outputID = shear_rate_twin_ID + outputID = merge(shear_rate_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('accumulated_shear_twin') - outputID = accumulated_shear_twin_ID + outputID = merge(accumulated_shear_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('mfp_twin') - outputID = mfp_twin_ID + outputID = merge(mfp_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('resolved_stress_twin') - outputID = resolved_stress_twin_ID + outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('threshold_stress_twin') - outputID = threshold_stress_twin_ID + outputID = merge(threshold_stress_twin_ID,undefined_ID,prm%totalNtwin >0_pInt) outputSize = prm%totalNtwin case ('resolved_stress_shearband') From e7f7fa74b70f28daf5aee85ea6c4583620d33371 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 13 Sep 2018 06:20:58 +0200 Subject: [PATCH 059/143] don't do calculation of dependentStates/microstructure manually --- src/plastic_dislotwin.f90 | 40 +-------------------------------------- 1 file changed, 1 insertion(+), 39 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 9d8c67fbc..20f2795c6 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -840,51 +840,14 @@ subroutine plastic_dislotwin_init(fileUnit) dst%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac - invLambdaSlip0 = spread(0.0_pReal,1,prm%totalNslip) ! calculation required? Seems to be the same as in microstructure - forall (i = 1_pInt:prm%totalNslip) & - invLambdaSlip0(i) = sqrt(dot_product(math_expand(prm%rho0,prm%Nslip)+ & - math_expand(prm%rhoDip0,prm%Nslip),prm%forestProjectionEdge(1:prm%totalNslip,i)))/ & - prm%CLambdaSlip(i) - mse%invLambdaSlip = spread(math_expand(invLambdaSlip0,prm%Nslip),2, NofMyPhase) - + dst%whole => plasticState(p)%dotState allocate(mse%invLambdaSlipTwin(prm%totalNslip,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaTwin(prm%totalNtwin,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlipTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) - - MeanFreePathSlip0 = prm%GrainSize/(1.0_pReal+invLambdaSlip0*prm%GrainSize) - mse%mfp_slip = spread(math_expand(MeanFreePathSlip0,prm%Nslip),2, NofMyPhase) - - MeanFreePathTwin0 = spread(prm%GrainSize,1,prm%totalNtwin) - mse%mfp_twin = spread(math_expand(MeanFreePathTwin0,prm%Ntwin),2, NofMyPhase) - - MeanFreePathTrans0 = spread(prm%GrainSize,1,prm%totalNtrans) - mse%mfp_trans = spread(math_expand(MeanFreePathTrans0,prm%Ntrans),2, NofMyPhase) - - tauSlipThreshold0 = spread(0.0_pReal,1,prm%totalNslip) - forall (i = 1_pInt:prm%totalNslip) tauSlipThreshold0(i) = & - prm%mu*prm%burgers_slip(i) * sqrt(dot_product(math_expand(prm%rho0 + prm%rhoDip0,prm%Nslip),& - prm%interaction_SlipSlip(i,1:prm%totalNslip))) - mse%threshold_stress_slip = spread(math_expand(tauSlipThreshold0,prm%Nslip),2, NofMyPhase) - allocate(mse%threshold_stress_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) allocate(mse%threshold_stress_trans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) - - TwinVolume0= spread(0.0_pReal,1,prm%totalNtwin) - forall (i = 1_pInt:prm%totalNtwin) TwinVolume0(i) = & - (PI/4.0_pReal)*prm%twinsize(i)*MeanFreePathTwin0(i)**2.0_pReal - mse%twinVolume = & - spread(math_expand(TwinVolume0,prm%Ntwin),2, NofMyPhase) - - MartensiteVolume0= spread(0.0_pReal,1,prm%totalNtrans) - forall (i = 1_pInt:prm%totalNtrans) MartensiteVolume0(i) = & - (PI/4.0_pReal)*prm%lamellarsizePerTransSystem(i)*MeanFreePathTrans0(i)**2.0_pReal - mse%martensiteVolume = & - spread(math_expand(MartensiteVolume0,prm%Ntrans),2, NofMyPhase) - - dst%whole => plasticState(p)%dotState - allocate(mse%tau_r_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) allocate(mse%tau_r_trans(prm%totalNtrans,NofMyPhase), source=0.0_pReal) @@ -916,7 +879,6 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) of real(pReal) :: sumf_twin, sumf_trans - !* Shortened notation of = phasememberAt(ipc,ip,el) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) From ad3994c48453ca2b5748f1a2658a0a8e6fa15003 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 13 Sep 2018 06:48:06 +0200 Subject: [PATCH 060/143] allocate all dependentStates/microstructures --- src/plastic_dislotwin.f90 | 11 +++++++++++ 1 file changed, 11 insertions(+) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 20f2795c6..5d0d7332d 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -842,15 +842,26 @@ subroutine plastic_dislotwin_init(fileUnit) dst%whole => plasticState(p)%dotState + allocate(mse%invLambdaSlip(prm%totalNslip,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlipTwin(prm%totalNslip,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaTwin(prm%totalNtwin,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlipTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + + allocate(mse%mfp_slip(prm%totalNslip,NofMyPhase), source=0.0_pReal) + allocate(mse%mfp_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) + allocate(mse%mfp_trans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + + allocate(mse%threshold_stress_slip(prm%totalNslip,NofMyPhase), source=0.0_pReal) allocate(mse%threshold_stress_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) allocate(mse%threshold_stress_trans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + allocate(mse%tau_r_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) allocate(mse%tau_r_trans(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + allocate(mse%twinVolume(prm%totalNtwin,NofMyPhase), source=0.0_pReal) + allocate(mse%martensiteVolume(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + end associate enddo From 989393e6e837223ecc562a704ac5c81f22a35479 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 14 Sep 2018 05:37:17 +0200 Subject: [PATCH 061/143] should not differ from development --- src/math.f90 | 40 ++++++++++++++++++++-------------------- 1 file changed, 20 insertions(+), 20 deletions(-) diff --git a/src/math.f90 b/src/math.f90 index d8f0da778..440ee5303 100644 --- a/src/math.f90 +++ b/src/math.f90 @@ -12,7 +12,7 @@ module math implicit none private - real(pReal), parameter, public :: PI = 3.141592653589793_pReal !< ratio of a circle's circumference to its diameter + real(pReal), parameter, public :: PI = acos(-1.0_pReal) !< ratio of a circle's circumference to its diameter real(pReal), parameter, public :: INDEG = 180.0_pReal/PI !< conversion from radian into degree real(pReal), parameter, public :: INRAD = PI/180.0_pReal !< conversion from degree into radian complex(pReal), parameter, public :: TWOPIIMG = (0.0_pReal,2.0_pReal)*(PI,0.0_pReal) !< Re(0.0), Im(2xPi) @@ -36,13 +36,13 @@ module math real(pReal), dimension(6), parameter, private :: & nrmMandel = [& - 1.0_pReal, 1.0_pReal, 1.0_pReal,& - 1.414213562373095_pReal, 1.414213562373095_pReal, 1.414213562373095_pReal ] !< weighting for Mandel notation (forward) + 1.0_pReal, 1.0_pReal, 1.0_pReal, & + sqrt(2.0_pReal), sqrt(2.0_pReal), sqrt(2.0_pReal) ] !< weighting for Mandel notation (forward) real(pReal), dimension(6), parameter , public :: & invnrmMandel = [& - 1.0_pReal, 1.0_pReal, 1.0_pReal,& - 0.7071067811865476_pReal, 0.7071067811865476_pReal, 0.7071067811865476_pReal ] !< weighting for Mandel notation (backward) + 1.0_pReal, 1.0_pReal, 1.0_pReal, & + 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal) ] !< weighting for Mandel notation (backward) integer(pInt), dimension (2,6), parameter, private :: & mapVoigt = reshape([& @@ -160,7 +160,7 @@ module math math_rotate_forward33, & math_rotate_backward33, & math_rotate_forward3333, & - math_limit + math_clip private :: & math_check, & halton @@ -1366,16 +1366,16 @@ pure function math_RtoEuler(R) sqhk =sqrt(R(1,3)*R(1,3)+R(2,3)*R(2,3)) ! calculate PHI - math_RtoEuler(2) = acos(math_limit(R(3,3)/sqhkl,-1.0_pReal, 1.0_pReal)) + math_RtoEuler(2) = acos(math_clip(R(3,3)/sqhkl,-1.0_pReal, 1.0_pReal)) if((math_RtoEuler(2) < 1.0e-8_pReal) .or. (pi-math_RtoEuler(2) < 1.0e-8_pReal)) then math_RtoEuler(3) = 0.0_pReal - math_RtoEuler(1) = acos(math_limit(R(1,1)/squvw, -1.0_pReal, 1.0_pReal)) + math_RtoEuler(1) = acos(math_clip(R(1,1)/squvw, -1.0_pReal, 1.0_pReal)) if(R(2,1) > 0.0_pReal) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1) else - math_RtoEuler(3) = acos(math_limit(R(2,3)/sqhk, -1.0_pReal, 1.0_pReal)) + math_RtoEuler(3) = acos(math_clip(R(2,3)/sqhk, -1.0_pReal, 1.0_pReal)) if(R(1,3) < 0.0) math_RtoEuler(3) = 2.0_pReal*pi-math_RtoEuler(3) - math_RtoEuler(1) = acos(math_limit(-R(3,2)/sin(math_RtoEuler(2)), -1.0_pReal, 1.0_pReal)) + math_RtoEuler(1) = acos(math_clip(-R(3,2)/sin(math_RtoEuler(2)), -1.0_pReal, 1.0_pReal)) if(R(3,1) < 0.0) math_RtoEuler(1) = 2.0_pReal*pi-math_RtoEuler(1) end if @@ -1657,7 +1657,7 @@ pure function math_qToEuler(qPassive) math_qToEuler(2) = acos(1.0_pReal-2.0_pReal*(q(2)**2+q(3)**2)) if (abs(math_qToEuler(2)) < 1.0e-6_pReal) then - math_qToEuler(1) = sign(2.0_pReal*acos(math_limit(q(1),-1.0_pReal, 1.0_pReal)),q(4)) + math_qToEuler(1) = sign(2.0_pReal*acos(math_clip(q(1),-1.0_pReal, 1.0_pReal)),q(4)) math_qToEuler(3) = 0.0_pReal else math_qToEuler(1) = atan2(+q(1)*q(3)+q(2)*q(4), q(1)*q(2)-q(3)*q(4)) @@ -1684,7 +1684,7 @@ pure function math_qToAxisAngle(Q) real(pReal) :: halfAngle, sinHalfAngle real(pReal), dimension(4) :: math_qToAxisAngle - halfAngle = acos(math_limit(Q(1),-1.0_pReal,1.0_pReal)) + halfAngle = acos(math_clip(Q(1),-1.0_pReal,1.0_pReal)) sinHalfAngle = sin(halfAngle) smallRotation: if (sinHalfAngle <= 1.0e-4_pReal) then @@ -1744,7 +1744,7 @@ real(pReal) pure function math_EulerMisorientation(EulerA,EulerB) cosTheta = (math_trace33(math_mul33x33(math_EulerToR(EulerB), & transpose(math_EulerToR(EulerA)))) - 1.0_pReal) * 0.5_pReal - math_EulerMisorientation = acos(math_limit(cosTheta,-1.0_pReal,1.0_pReal)) + math_EulerMisorientation = acos(math_clip(cosTheta,-1.0_pReal,1.0_pReal)) end function math_EulerMisorientation @@ -2055,7 +2055,7 @@ function math_eigenvectorBasisSym33(m) EB(3,3,3)=1.0_pReal else threeSimilarEigenvalues rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal - phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) + phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & [cos(phi/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), & @@ -2120,7 +2120,7 @@ function math_eigenvectorBasisSym33_log(m) EB(3,3,3)=1.0_pReal else threeSimilarEigenvalues rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal - phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) + phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) values = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & [cos(phi/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), & @@ -2232,7 +2232,7 @@ function math_eigenvaluesSym33(m) math_eigenvaluesSym33 = math_eigenvaluesSym(m) else rho=sqrt(-3.0_pReal*P**3.0_pReal)/9.0_pReal - phi=acos(math_limit(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) + phi=acos(math_clip(-Q/rho*0.5_pReal,-1.0_pReal,1.0_pReal)) math_eigenvaluesSym33 = 2.0_pReal*rho**(1.0_pReal/3.0_pReal)* & [cos(phi/3.0_pReal), & cos((phi+2.0_pReal*PI)/3.0_pReal), & @@ -2617,7 +2617,7 @@ end function math_rotate_forward3333 !> @brief limits a scalar value to a certain range (either one or two sided) ! Will return NaN if left > right !-------------------------------------------------------------------------------------------------- -real(pReal) pure function math_limit(a, left, right) +real(pReal) pure function math_clip(a, left, right) use, intrinsic :: & IEEE_arithmetic @@ -2626,14 +2626,14 @@ real(pReal) pure function math_limit(a, left, right) real(pReal), intent(in), optional :: left, right - math_limit = min ( & + math_clip = min ( & max (merge(left, -huge(a), present(left)), a), & merge(right, huge(a), present(right)) & ) if (present(left) .and. present(right)) & - math_limit = merge (IEEE_value(1.0_pReal,IEEE_quiet_NaN),math_limit, left>right) + math_clip = merge (IEEE_value(1.0_pReal,IEEE_quiet_NaN),math_clip, left>right) -end function math_limit +end function math_clip end module math From bd0b561772c31fca5eb3cadacf5e9f70de604a38 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 14 Sep 2018 11:56:36 +0200 Subject: [PATCH 062/143] better readable --- src/plastic_dislotwin.f90 | 40 +++++++++++++++++++-------------------- 1 file changed, 20 insertions(+), 20 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index dd5204424..905171701 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -268,7 +268,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm type(tDislotwinState) :: & stt, & - dst + dot type(tDislotwinMicrostructure) :: & mse @@ -302,7 +302,7 @@ subroutine plastic_dislotwin_init(fileUnit) do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle associate(prm => param(phase_plasticityInstance(p)), & - dst => dotState(phase_plasticityInstance(p)), & + dot => dotState(phase_plasticityInstance(p)), & stt => state(phase_plasticityInstance(p)), & mse => microstructure(phase_plasticityInstance(p))) @@ -797,7 +797,7 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=1_pInt endIndex=prm%totalNslip stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) - dst%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) + dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho @@ -805,7 +805,7 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) - dst%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) + dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%state0(startIndex:endIndex,:) = & spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho @@ -813,34 +813,34 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip stt%accshear_slip=>plasticState(p)%state(startIndex:endIndex,:) - dst%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) + dot%accshear_slip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin stt%twinFraction=>plasticState(p)%state(startIndex:endIndex,:) - dst%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + dot%twinFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTwinFrac startIndex=endIndex+1 endIndex=endIndex+prm%totalNtwin stt%accshear_twin=>plasticState(p)%state(startIndex:endIndex,:) - dst%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) + dot%accshear_twin=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = 1.0e6_pReal startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans stt%stressTransFraction=>plasticState(p)%state(startIndex:endIndex,:) - dst%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + dot%stressTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac startIndex=endIndex+1 endIndex=endIndex+prm%totalNtrans stt%strainTransFraction=>plasticState(p)%state(startIndex:endIndex,:) - dst%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) + dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac - dst%whole => plasticState(p)%dotState + dot%whole => plasticState(p)%dotState allocate(mse%invLambdaSlip(prm%totalNslip,NofMyPhase),source=0.0_pReal) allocate(mse%invLambdaSlipTwin(prm%totalNslip,NofMyPhase),source=0.0_pReal) @@ -1294,7 +1294,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) real(pReal), dimension(3,3) :: & S !< Second-Piola Kirchhoff stress type(tParameters) :: prm - type(tDislotwinState) :: stt, dst + type(tDislotwinState) :: stt, dot type(tDislotwinMicrostructure) :: mse !* Shortened notation @@ -1306,10 +1306,10 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & - dst => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el))), & + dot => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el))), & mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - dst%whole(:,of) = 0.0_pReal + dot%whole(:,of) = 0.0_pReal sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) sumf_trans = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & @@ -1367,9 +1367,9 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) (EdgeDipDistance-EdgeDipMinDistance) endif endif - dst%rhoEdge(i,of) = DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation - dst%rhoEdgeDip(i,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb - dst%accshear_slip(i,of) = abs(gdot_slip(i)) + dot%rhoEdge(i,of) = DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation + dot%rhoEdgeDip(i,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb + dot%accshear_slip(i,of) = abs(gdot_slip(i)) enddo slipState twinState: do i = 1_pInt, prm%totalNtwin @@ -1392,9 +1392,9 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else isFCCtwin Ndot0_twin=prm%Ndot0_twin(i) endif isFCCtwin - dst%twinFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& + dot%twinFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& mse%twinVolume(i,of)*Ndot0_twin*exp(-StressRatio_r) - dst%accshear_twin(i,of) = dst%twinFraction(i,of) * prm%shear_twin(i) + dot%accshear_twin(i,of) = dot%twinFraction(i,of) * prm%shear_twin(i) endif significantTwinStress enddo twinState @@ -1419,10 +1419,10 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else isFCCtrans Ndot0_trans=prm%Ndot0_trans(i) endif isFCCtrans - dst%strainTransFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& + dot%strainTransFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& mse%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s) !* Dotstate for accumulated shear due to transformation - !dst%accshear_trans(i,of) = dst%strainTransFraction(i,of) * & + !dot%accshear_trans(i,of) = dot%strainTransFraction(i,of) * & ! lattice_sheartrans(index_myfamily+i,ph) endif significantTransStress From 9c5ca0e5428eab70eebbbd77897d7c363104acd6 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 14 Sep 2018 12:17:35 +0200 Subject: [PATCH 063/143] use of kinetics simplifies code --- src/plastic_dislotwin.f90 | 32 +++++++------------------------- 1 file changed, 7 insertions(+), 25 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 905171701..583a7e4ad 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1075,7 +1075,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature tau real(pReal), dimension(3,3,3,3) :: dLp_dS real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: & - gdot_slip + gdot_slip,dgdot_dtau_slip real(pReal):: gdot_sb,gdot_twin,gdot_trans real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand real(pReal), dimension(3) :: eigValues, sb_s, sb_m @@ -1119,31 +1119,12 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature dLp_dS = 0.0_pReal S = math_Mandel6to33(Tstar_v) + call kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) slipContribution: do i = 1_pInt, prm%totalNslip - - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) - - significantSlipStress: if((abs(tau)-mse%threshold_stress_slip(i,of)) > tol_math_check) then - stressRatio = ((abs(tau)- mse%threshold_stress_slip(i,of))/& - (prm%SolidSolutionStrength+prm%tau_peierls(i))) - StressRatio_p = stressRatio** prm%p(i) - StressRatio_pminus1 = stressRatio**(prm%p(i)-1.0_pReal) ! ToDo: no very helpful - BoltzmannRatio = prm%Qedge(i)/(kB*Temperature) - - gdot_slip(i) = stt%rhoEdge(i,of)*prm%burgers_slip(i)* prm%v0(i) & - * sign(exp(-BoltzmannRatio*(1-StressRatio_p)** prm%q(i)), tau) - dgdot_dtau = abs(gdot_slip(i))*BoltzmannRatio*prm%p(i) * prm%q(i) & - / (prm%SolidSolutionStrength+prm%tau_peierls(i)) & - * StressRatio_pminus1*(1-StressRatio_p)**(prm%q(i)-1.0_pReal) - - Lp = Lp + gdot_slip(i)*prm%Schmid_slip(1:3,1:3,i) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) - else significantSlipStress - gdot_slip(i) = 0.0_pReal - endif significantSlipStress - + Lp = Lp + gdot_slip(i)*prm%Schmid_slip(1:3,1:3,i) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) enddo slipContribution !ToDo: Why do this before shear banding? @@ -1177,6 +1158,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature endif shearBandingContribution + !call kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) twinContibution: do i = 1_pInt, prm%totalNtwin tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,i)) From a3750738c072d1b24e88fcfcbf2dad4ef809414b Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 14 Sep 2018 12:20:37 +0200 Subject: [PATCH 064/143] type mismatch for MSC.Marc --- src/plastic_dislotwin.f90 | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 583a7e4ad..4133a7ba1 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1433,11 +1433,11 @@ subroutine kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) of type(tDislotwinMicrostructure) :: & mse - real, dimension(prm%totalNslip), intent(out) :: & + real(pReal), dimension(prm%totalNslip), intent(out) :: & gdot_slip - real, dimension(prm%totalNslip), optional, intent(out) :: & + real(pReal), dimension(prm%totalNslip), optional, intent(out) :: & dgdot_dtau_slip - real, dimension(prm%totalNslip) :: & + real(pReal), dimension(prm%totalNslip) :: & dgdot_dtau real(pReal), dimension(3,3), intent(in) :: & S @@ -1493,11 +1493,11 @@ subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_ of type(tDislotwinMicrostructure) :: & mse - real, dimension(prm%totalNslip), intent(out) :: & + real(pReal), dimension(prm%totalNslip), intent(out) :: & gdot_slip - real, dimension(prm%totalNtwin), intent(out) :: & + real(pReal), dimension(prm%totalNtwin), intent(out) :: & gdot_twin - real, dimension(prm%totalNtwin), optional, intent(out) :: & + real(pReal), dimension(prm%totalNtwin), optional, intent(out) :: & dgdot_dtau_twin real(pReal), dimension(3,3), intent(in) :: & S From acc32949095e67f175361401531b4139b704d789 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 15 Sep 2018 06:39:02 +0200 Subject: [PATCH 065/143] more verbose initialization --- src/plastic_dislotwin.f90 | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 4133a7ba1..6b9e5fa79 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -797,17 +797,15 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=1_pInt endIndex=prm%totalNslip stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) + stt%rhoEdge= spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) + stt%rhoEdgeDip= spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) - plasticState(p)%state0(startIndex:endIndex,:) = & - spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex=endIndex+1 @@ -840,6 +838,7 @@ subroutine plastic_dislotwin_init(fileUnit) dot%strainTransFraction=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolTransFrac + plasticState(p)%state0 = plasticState(p)%state dot%whole => plasticState(p)%dotState allocate(mse%invLambdaSlip(prm%totalNslip,NofMyPhase),source=0.0_pReal) From 3526c0a757ac71b1486d90aa058018f0bbaa4c28 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 15 Sep 2018 07:49:14 +0200 Subject: [PATCH 066/143] index missing, test failed --- src/plastic_dislotwin.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 6b9e5fa79..e79ebd644 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1451,7 +1451,7 @@ subroutine kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) integer(pInt) :: i do i = 1_pInt, prm%totalNslip - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) + tau(i) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) enddo significantStress: where((abs(tau)-mse%threshold_stress_slip(:,of)) > tol_math_check) @@ -1512,7 +1512,7 @@ subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_ integer(pInt) :: i,s1,s2 do i = 1_pInt, prm%totalNtwin - tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,i)) + tau(i) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,i)) isFCC: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) From ed570f0fe86f70edd536d39ff36bde864438faa2 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 15 Sep 2018 08:24:12 +0200 Subject: [PATCH 067/143] use of kinetics avoids different calculation of shearrates --- src/plastic_dislotwin.f90 | 174 +++++++++++++++++++++++++------------- 1 file changed, 117 insertions(+), 57 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index e79ebd644..52972ffd6 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -887,17 +887,18 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) integer(pInt) :: i, & of - real(pReal) :: sumf_twin, sumf_trans + real(pReal) :: f_unrotated of = phasememberAt(ipc,ip,el) associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& stt => state(phase_plasticityInstance(material_phase(ipc,ip,el)))) - sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) - sumf_trans = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) + f_unrotated = 1.0_pReal & + - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & + - sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) & + - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - plastic_dislotwin_homogenizedC = (1.0_pReal-sumf_twin-sumf_trans)*prm%C66 + plastic_dislotwin_homogenizedC = f_unrotated * prm%C66 do i=1_pInt,prm%totalNtwin plastic_dislotwin_homogenizedC = plastic_dislotwin_homogenizedC & + stt%twinFraction(i,of)*prm%C66_twin(1:6,1:6,i) @@ -934,7 +935,7 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) i, & of real(pReal) :: & - sumf_twin,sfe,sumf_trans + sumf_twin,SFE,sumf_trans real(pReal), dimension(:), allocatable :: & x0, & fOverStacksize, & @@ -1067,7 +1068,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 integer(pInt) :: of,i,k,l,m,n,s1,s2 - real(pReal) :: sumf_twin,sumf_trans,StressRatio_p,StressRatio_pminus1,& + real(pReal) :: f_unrotated,StressRatio_p,& StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & Ndot0_trans,StressRatio_s, & dgdot_dtau, & @@ -1075,7 +1076,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature real(pReal), dimension(3,3,3,3) :: dLp_dS real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: & gdot_slip,dgdot_dtau_slip - real(pReal):: gdot_sb,gdot_twin,gdot_trans + real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNtwin) :: & + gdot_twin,dgdot_dtau_twin + real(pReal):: gdot_sb,gdot_trans real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand real(pReal), dimension(3) :: eigValues, sb_s, sb_m logical :: error @@ -1110,9 +1113,10 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - sumf_twin = sum(stt%twinFraction(1:prm%totalNtwin,of)) - sumf_trans = sum(stt%stressTransFraction(1:prm%totalNtrans,of)) & - + sum(stt%strainTransFraction(1:prm%totalNtrans,of)) + f_unrotated = 1.0_pReal & + - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & + - sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) & + - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) Lp = 0.0_pReal dLp_dS = 0.0_pReal @@ -1127,8 +1131,8 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature enddo slipContribution !ToDo: Why do this before shear banding? - Lp = Lp * (1.0_pReal - sumf_twin - sumf_trans) - dLp_dS = dLp_dS * (1.0_pReal - sumf_twin - sumf_trans) + Lp = Lp * f_unrotated + dLp_dS = dLp_dS * f_unrotated shearBandingContribution: if(dNeq0(prm%sbVelocity)) then @@ -1143,10 +1147,10 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature significantShearBandStress: if (abs(tau) > tol_math_check) then StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand - StressRatio_pminus1 = (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) gdot_sb = sign(prm%sbVelocity*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%qShearBand), tau) dgdot_dtau = ((abs(gdot_sb)*BoltzmannRatio* prm%pShearBand*prm%qShearBand)/ prm%sbResistance) & - * StressRatio_pminus1*(1_pInt-StressRatio_p)**(prm%qShearBand-1.0_pReal) + * (abs(tau)/prm%sbResistance)**(prm%pShearBand-1.0_pReal) & + * (1.0_pReal-StressRatio_p)**(prm%qShearBand-1.0_pReal) Lp = Lp + gdot_sb * Schmid_shearBand forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & @@ -1157,40 +1161,14 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature endif shearBandingContribution - !call kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) + call kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) + gdot_twin = f_unrotated * gdot_twin + dgdot_dtau_twin = f_unrotated * dgdot_dtau_twin twinContibution: do i = 1_pInt, prm%totalNtwin - - tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,i)) - - significantTwinStress: if (tau > tol_math_check) then - StressRatio_r = (mse%threshold_stress_twin(i,of)/tau)**prm%r(i) - - isFCCtwin: if (prm%isFCC) then - s1=prm%fcc_twinNucleationSlipPair(1,i) - s2=prm%fcc_twinNucleationSlipPair(2,i) - if (tau < mse%tau_r_twin(i,of)) then - Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? - abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& - (prm%L0_twin*prm%burgers_slip(i))*& - (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& - (mse%tau_r_twin(i,of)-tau))) - else - Ndot0_twin=0.0_pReal - end if - else isFCCtwin - Ndot0_twin=prm%Ndot0_twin(i) - endif isFCCtwin - - gdot_twin = prm%shear_twin(i) * mse%twinVolume(i,of) * Ndot0_twin*exp(-StressRatio_r) - gdot_twin = (1.0_pReal-sumf_twin-sumf_trans) * gdot_twin - dgdot_dtau = ((gdot_twin*prm%r(i))/tau)*StressRatio_r - - Lp = Lp + gdot_twin*prm%Schmid_twin(1:3,1:3,i) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) - endif significantTwinStress - + Lp = Lp + gdot_twin(i)*prm%Schmid_twin(1:3,1:3,i) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & + + dgdot_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) enddo twinContibution transConstribution: do i = 1_pInt, prm%totalNtrans @@ -1216,7 +1194,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature endif isFCCtrans gdot_trans = mse%martensiteVolume(i,of) * Ndot0_trans*exp(-StressRatio_s) - gdot_trans = (1.0_pReal-sumf_twin-sumf_trans)* gdot_trans + gdot_trans = f_unrotated * gdot_trans dgdot_dtau = ((gdot_trans*prm%s(i))/tau)*StressRatio_s Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,i) @@ -1263,7 +1241,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) integer(pInt) :: i,s1,s2, & of - real(pReal) :: sumf_twin,sumf_trans,StressRatio_p,BoltzmannRatio,& + real(pReal) :: f_unrotated,StressRatio_p,BoltzmannRatio,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & @@ -1292,10 +1270,11 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) dot%whole(:,of) = 0.0_pReal - sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) - sumf_trans = sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) + & - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - + f_unrotated = 1.0_pReal & + - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & + - sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) & + - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) + slipState: do i = 1_pInt, prm%totalNslip tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) @@ -1373,8 +1352,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else isFCCtwin Ndot0_twin=prm%Ndot0_twin(i) endif isFCCtwin - dot%twinFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& - mse%twinVolume(i,of)*Ndot0_twin*exp(-StressRatio_r) + dot%twinFraction(i,of) = f_unrotated * mse%twinVolume(i,of)*Ndot0_twin*exp(-StressRatio_r) dot%accshear_twin(i,of) = dot%twinFraction(i,of) * prm%shear_twin(i) endif significantTwinStress @@ -1400,7 +1378,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) else isFCCtrans Ndot0_trans=prm%Ndot0_trans(i) endif isFCCtrans - dot%strainTransFraction(i,of) = (1.0_pReal-sumf_twin-sumf_trans)*& + dot%strainTransFraction(i,of) = f_unrotated * & mse%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s) !* Dotstate for accumulated shear due to transformation !dot%accshear_trans(i,of) = dot%strainTransFraction(i,of) * & @@ -1545,6 +1523,88 @@ subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_ end subroutine +!!-------------------------------------------------------------------------------------------------- +!!> @brief calculates shear rates on transformation systems +!!-------------------------------------------------------------------------------------------------- +!subroutine kinetics_trans(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) +! use prec, only: & +! tol_math_check, & +! dNeq0 +! use math, only: & +! math_mul33xx33 +! +! implicit none +! type(tParameters), intent(in) :: & +! prm +! type(tDislotwinState), intent(in) :: & +! stt +! integer(pInt), intent(in) :: & +! of +! type(tDislotwinMicrostructure) :: & +! mse +! real(pReal), dimension(prm%totalNslip), intent(out) :: & +! gdot_slip +! real(pReal), dimension(prm%totalNtwin), intent(out) :: & +! gdot_twin +! real(pReal), dimension(prm%totalNtwin), optional, intent(out) :: & +! dgdot_dtau_twin +! real(pReal), dimension(3,3), intent(in) :: & +! S +! real(pReal), intent(in) :: & +! temperature +! +! real, dimension(prm%totalNtwin) :: & +! tau, & +! Ndot0_twin, & +! stressRatio_r, & +! dgdot_dtau +! +! integer(pInt) :: i,s1,s2 +! +! do i = 1_pInt, prm%totalNtrans +! tau(i) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) +! isFCC: if (prm%isFCC) then +! s1=prm%fcc_twinNucleationSlipPair(1,i) +! s2=prm%fcc_twinNucleationSlipPair(2,i) +! if (tau(i) < mse%tau_r_trans(i,of)) then +! Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& ! s1/s2 mixing correct? +! abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& +! (prm%L0_trans*prm%burgers_slip(i))*& ! burgers_slip correct? +! (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& +! (mse%tau_r_trans(i,of)-tau))) +! else +! Ndot0_trans=0.0_pReal +! end if +! else isFCC +! Ndot0_trans=prm%Ndot0_trans(i) +! endif isFCC +! enddo +! +! +! endif isFCCtrans +! dot%strainTransFraction(i,of) = f_unrotated * & +! mse%martensiteVolume(i,of)*Ndot0_trans*exp(-StressRatio_s) +! !* Dotstate for accumulated shear due to transformation +! !dot%accshear_trans(i,of) = dot%strainTransFraction(i,of) * & +! ! lattice_sheartrans(index_myfamily+i,ph) +! endif significantTransStress +! +! enddo transState +! +! +! significantStress: where(tau > tol_math_check) +! StressRatio_r = (mse%threshold_stress_twin(:,of)/tau)**prm%r +! gdot_twin = prm%shear_twin * mse%twinVolume(:,of) * Ndot0_twin*exp(-StressRatio_r) +! dgdot_dtau = ((gdot_twin*prm%r)/tau)*StressRatio_r +! else where significantStress +! gdot_twin = 0.0_pReal +! dgdot_dtau = 0.0_pReal +! end where significantStress +! +! if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau +! +!end subroutine + !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- From 45dc59b1d8decc06e2d43e0102db8b08f551a3e6 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 15 Sep 2018 10:43:05 +0200 Subject: [PATCH 068/143] kinetics also for trans --- src/plastic_dislotwin.f90 | 114 +++++++++++++++++++------------------- 1 file changed, 57 insertions(+), 57 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 52972ffd6..2186478a2 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1523,62 +1523,62 @@ subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_ end subroutine -!!-------------------------------------------------------------------------------------------------- -!!> @brief calculates shear rates on transformation systems -!!-------------------------------------------------------------------------------------------------- -!subroutine kinetics_trans(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) -! use prec, only: & -! tol_math_check, & -! dNeq0 -! use math, only: & -! math_mul33xx33 -! -! implicit none -! type(tParameters), intent(in) :: & -! prm -! type(tDislotwinState), intent(in) :: & -! stt -! integer(pInt), intent(in) :: & -! of -! type(tDislotwinMicrostructure) :: & -! mse -! real(pReal), dimension(prm%totalNslip), intent(out) :: & -! gdot_slip -! real(pReal), dimension(prm%totalNtwin), intent(out) :: & -! gdot_twin -! real(pReal), dimension(prm%totalNtwin), optional, intent(out) :: & -! dgdot_dtau_twin -! real(pReal), dimension(3,3), intent(in) :: & -! S -! real(pReal), intent(in) :: & -! temperature -! -! real, dimension(prm%totalNtwin) :: & -! tau, & -! Ndot0_twin, & -! stressRatio_r, & -! dgdot_dtau -! -! integer(pInt) :: i,s1,s2 -! -! do i = 1_pInt, prm%totalNtrans -! tau(i) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) -! isFCC: if (prm%isFCC) then -! s1=prm%fcc_twinNucleationSlipPair(1,i) -! s2=prm%fcc_twinNucleationSlipPair(2,i) -! if (tau(i) < mse%tau_r_trans(i,of)) then -! Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& ! s1/s2 mixing correct? -! abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& -! (prm%L0_trans*prm%burgers_slip(i))*& ! burgers_slip correct? -! (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& -! (mse%tau_r_trans(i,of)-tau))) -! else -! Ndot0_trans=0.0_pReal -! end if -! else isFCC -! Ndot0_trans=prm%Ndot0_trans(i) -! endif isFCC -! enddo +!-------------------------------------------------------------------------------------------------- +!> @brief calculates shear rates on transformation systems +!-------------------------------------------------------------------------------------------------- +subroutine kinetics_trans(prm,stt,mse,of,S,temperature,gdot_slip,gdot_trans,dgdot_dtau_trans) + use prec, only: & + tol_math_check, & + dNeq0 + use math, only: & + math_mul33xx33 + + implicit none + type(tParameters), intent(in) :: & + prm + type(tDislotwinState), intent(in) :: & + stt + integer(pInt), intent(in) :: & + of + type(tDislotwinMicrostructure) :: & + mse + real(pReal), dimension(prm%totalNslip), intent(out) :: & + gdot_slip + real(pReal), dimension(prm%totalNtrans), intent(out) :: & + gdot_trans + real(pReal), dimension(prm%totalNtrans), optional, intent(out) :: & + dgdot_dtau_trans + real(pReal), dimension(3,3), intent(in) :: & + S + real(pReal), intent(in) :: & + temperature + + real, dimension(prm%totalNtrans) :: & + tau, & + Ndot0_trans, & + stressRatio_r, & + dgdot_dtau + + integer(pInt) :: i,s1,s2 + + do i = 1_pInt, prm%totalNtrans + tau(i) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) + isFCC: if (prm%isFCC) then + s1=prm%fcc_twinNucleationSlipPair(1,i) + s2=prm%fcc_twinNucleationSlipPair(2,i) + if (tau(i) < mse%tau_r_trans(i,of)) then + Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& ! s1/s2 mixing correct? + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + (prm%L0_trans*prm%burgers_slip(i))*& ! burgers_slip correct? + (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& + (mse%tau_r_trans(i,of)-tau))) + else + Ndot0_trans=0.0_pReal + end if + else isFCC + Ndot0_trans=prm%Ndot0_trans(i) + endif isFCC + enddo ! ! ! endif isFCCtrans @@ -1603,7 +1603,7 @@ end subroutine ! ! if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau ! -!end subroutine +end subroutine !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results From c1a9d3fbf6b5be0470e0ff690eaf7581ebf426ae Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 17 Sep 2018 08:23:23 +0200 Subject: [PATCH 069/143] names in agreement with the DAMASK paper --- src/constitutive.f90 | 5 +-- src/plastic_dislotwin.f90 | 84 +++++++++++++++++---------------------- 2 files changed, 38 insertions(+), 51 deletions(-) diff --git a/src/constitutive.f90 b/src/constitutive.f90 index dba1463a7..d34eeb7fe 100644 --- a/src/constitutive.f90 +++ b/src/constitutive.f90 @@ -522,9 +522,8 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget case (PLASTICITY_DISLOTWIN_ID) plasticityType - call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp), & + call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp, Mp, & temperature(ho)%p(tme),ipc,ip,el) - dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget case (PLASTICITY_DISLOUCLA_ID) plasticityType call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp), & @@ -905,7 +904,7 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac call plastic_kinehardening_dotState(math_Mandel33to6(Mstar),ipc,ip,el) case (PLASTICITY_DISLOTWIN_ID) plasticityType - call plastic_dislotwin_dotState (math_Mandel33to6(Mstar),temperature(ho)%p(tme), & + call plastic_dislotwin_dotState (Mstar,temperature(ho)%p(tme), & ipc,ip,el) case (PLASTICITY_DISLOUCLA_ID) plasticityType diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 2186478a2..82797b503 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1042,14 +1042,11 @@ end subroutine plastic_dislotwin_microstructure !-------------------------------------------------------------------------------------------------- !> @brief calculates plastic velocity gradient and its tangent !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature,ipc,ip,el) +subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,ipc,ip,el) use prec, only: & tol_math_check, & dNeq0 use math, only: & - math_Plain3333to99, & - math_Mandel6to33, & - math_Mandel33to6, & math_eigenValuesVectorsSym, & math_tensorproduct33, & math_symmetric33, & @@ -1063,9 +1060,9 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature implicit none integer(pInt), intent(in) :: ipc,ip,el real(pReal), intent(in) :: Temperature - real(pReal), dimension(6), intent(in) :: Tstar_v + real(pReal), dimension(3,3), intent(in) :: Mp real(pReal), dimension(3,3), intent(out) :: Lp - real(pReal), dimension(9,9), intent(out) :: dLp_dTstar99 + real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp integer(pInt) :: of,i,k,l,m,n,s1,s2 real(pReal) :: f_unrotated,StressRatio_p,& @@ -1073,7 +1070,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Ndot0_trans,StressRatio_s, & dgdot_dtau, & tau - real(pReal), dimension(3,3,3,3) :: dLp_dS real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: & gdot_slip,dgdot_dtau_slip real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNtwin) :: & @@ -1119,25 +1115,24 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) Lp = 0.0_pReal - dLp_dS = 0.0_pReal - S = math_Mandel6to33(Tstar_v) + dLp_dMp = 0.0_pReal - call kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) + call kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau_slip) slipContribution: do i = 1_pInt, prm%totalNslip Lp = Lp + gdot_slip(i)*prm%Schmid_slip(1:3,1:3,i) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau_slip(i) * prm%Schmid_slip(k,l,i) * prm%Schmid_slip(m,n,i) enddo slipContribution !ToDo: Why do this before shear banding? - Lp = Lp * f_unrotated - dLp_dS = dLp_dS * f_unrotated + Lp = Lp * f_unrotated + dLp_dMp = dLp_dMp * f_unrotated shearBandingContribution: if(dNeq0(prm%sbVelocity)) then BoltzmannRatio = prm%sbQedge/(kB*Temperature) - call math_eigenValuesVectorsSym(S,eigValues,eigVectors,error) + call math_eigenValuesVectorsSym(Mp,eigValues,eigVectors,error) do i = 1_pInt,6_pInt sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,i)) @@ -1154,26 +1149,26 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Lp = Lp + gdot_sb * Schmid_shearBand forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n) + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau * Schmid_shearBand(k,l) * Schmid_shearBand(m,n) endif significantShearBandStress enddo endif shearBandingContribution - call kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) + call kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) gdot_twin = f_unrotated * gdot_twin dgdot_dtau_twin = f_unrotated * dgdot_dtau_twin twinContibution: do i = 1_pInt, prm%totalNtwin Lp = Lp + gdot_twin(i)*prm%Schmid_twin(1:3,1:3,i) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau_twin(i)* prm%Schmid_twin(k,l,i)*prm%Schmid_twin(m,n,i) enddo twinContibution transConstribution: do i = 1_pInt, prm%totalNtrans - tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) + tau = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) significantTransStress: if (tau > tol_math_check) then StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i) @@ -1199,15 +1194,13 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dTstar99,Tstar_v,Temperature Lp = Lp + gdot_trans*prm%Schmid_trans(1:3,1:3,i) forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dS(k,l,m,n) = dLp_dS(k,l,m,n) & - + dgdot_dtau * prm%Schmid_trans(k,l,i)* prm%Schmid_trans(m,n,i) + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau * prm%Schmid_trans(k,l,i)* prm%Schmid_trans(m,n,i) endif significantTransStress enddo transConstribution end associate - - dLp_dTstar99 = math_Plain3333to99(dLp_dS) end subroutine plastic_dislotwin_LpAndItsTangent @@ -1215,7 +1208,7 @@ end subroutine plastic_dislotwin_LpAndItsTangent !-------------------------------------------------------------------------------------------------- !> @brief calculates the rate of change of microstructure !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) +subroutine plastic_dislotwin_dotState(Mp,Temperature,ipc,ip,el) use prec, only: & tol_math_check, & dEq0 @@ -1230,8 +1223,8 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) phasememberAt implicit none - real(pReal), dimension(6), intent(in):: & - Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation + real(pReal), dimension(3,3), intent(in):: & + Mp !< Mandel stress real(pReal), intent(in) :: & temperature !< temperature at integration point integer(pInt), intent(in) :: & @@ -1250,8 +1243,6 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) gdot_slip - real(pReal), dimension(3,3) :: & - S !< Second-Piola Kirchhoff stress type(tParameters) :: prm type(tDislotwinState) :: stt, dot type(tDislotwinMicrostructure) :: mse @@ -1259,9 +1250,6 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) !* Shortened notation of = phasememberAt(ipc,ip,el) - S = math_Mandel6to33(Tstar_v) - - associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & @@ -1277,7 +1265,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) slipState: do i = 1_pInt, prm%totalNslip - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) significantSlipStress1: if((abs(tau)-mse%threshold_stress_slip(i,of)) > tol_math_check) then stressRatio =((abs(tau)- mse%threshold_stress_slip(i,of))/& @@ -1334,7 +1322,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) twinState: do i = 1_pInt, prm%totalNtwin - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) significantTwinStress: if (tau > tol_math_check) then StressRatio_r = (mse%threshold_stress_twin(i,of)/tau)**prm%r(i) @@ -1360,7 +1348,7 @@ subroutine plastic_dislotwin_dotState(Tstar_v,Temperature,ipc,ip,el) transState: do i = 1_pInt, prm%totalNtrans - tau = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) + tau = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) significantTransStress: if (tau > tol_math_check) then StressRatio_s = (mse%threshold_stress_trans(i,of)/tau)**prm%s(i) @@ -1394,7 +1382,7 @@ end subroutine plastic_dislotwin_dotState !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on slip systems !-------------------------------------------------------------------------------------------------- -subroutine kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) +pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau_slip) use prec, only: & tol_math_check, & dNeq0 @@ -1408,7 +1396,7 @@ subroutine kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) stt integer(pInt), intent(in) :: & of - type(tDislotwinMicrostructure) :: & + type(tDislotwinMicrostructure), intent(in) :: & mse real(pReal), dimension(prm%totalNslip), intent(out) :: & gdot_slip @@ -1417,7 +1405,7 @@ subroutine kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) real(pReal), dimension(prm%totalNslip) :: & dgdot_dtau real(pReal), dimension(3,3), intent(in) :: & - S + Mp real(pReal), intent(in) :: & temperature @@ -1429,7 +1417,7 @@ subroutine kinetics_slip(prm,stt,mse,of,S,temperature,gdot_slip,dgdot_dtau_slip) integer(pInt) :: i do i = 1_pInt, prm%totalNslip - tau(i) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,i)) + tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) enddo significantStress: where((abs(tau)-mse%threshold_stress_slip(:,of)) > tol_math_check) @@ -1454,7 +1442,7 @@ end subroutine !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on slip systems !-------------------------------------------------------------------------------------------------- -subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) +pure subroutine kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) use prec, only: & tol_math_check, & dNeq0 @@ -1468,7 +1456,7 @@ subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_ stt integer(pInt), intent(in) :: & of - type(tDislotwinMicrostructure) :: & + type(tDislotwinMicrostructure), intent(in) :: & mse real(pReal), dimension(prm%totalNslip), intent(out) :: & gdot_slip @@ -1477,7 +1465,7 @@ subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_ real(pReal), dimension(prm%totalNtwin), optional, intent(out) :: & dgdot_dtau_twin real(pReal), dimension(3,3), intent(in) :: & - S + Mp real(pReal), intent(in) :: & temperature @@ -1490,7 +1478,7 @@ subroutine kinetics_twin(prm,stt,mse,of,S,temperature,gdot_slip,gdot_twin,dgdot_ integer(pInt) :: i,s1,s2 do i = 1_pInt, prm%totalNtwin - tau(i) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,i)) + tau(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) isFCC: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) @@ -1526,7 +1514,7 @@ end subroutine !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on transformation systems !-------------------------------------------------------------------------------------------------- -subroutine kinetics_trans(prm,stt,mse,of,S,temperature,gdot_slip,gdot_trans,dgdot_dtau_trans) +pure subroutine kinetics_trans(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_trans,dgdot_dtau_trans) use prec, only: & tol_math_check, & dNeq0 @@ -1540,7 +1528,7 @@ subroutine kinetics_trans(prm,stt,mse,of,S,temperature,gdot_slip,gdot_trans,dgdo stt integer(pInt), intent(in) :: & of - type(tDislotwinMicrostructure) :: & + type(tDislotwinMicrostructure), intent(in) :: & mse real(pReal), dimension(prm%totalNslip), intent(out) :: & gdot_slip @@ -1549,7 +1537,7 @@ subroutine kinetics_trans(prm,stt,mse,of,S,temperature,gdot_slip,gdot_trans,dgdo real(pReal), dimension(prm%totalNtrans), optional, intent(out) :: & dgdot_dtau_trans real(pReal), dimension(3,3), intent(in) :: & - S + Mp real(pReal), intent(in) :: & temperature @@ -1562,7 +1550,7 @@ subroutine kinetics_trans(prm,stt,mse,of,S,temperature,gdot_slip,gdot_trans,dgdo integer(pInt) :: i,s1,s2 do i = 1_pInt, prm%totalNtrans - tau(i) = math_mul33xx33(S,prm%Schmid_trans(1:3,1:3,i)) + tau(i) = math_mul33xx33(Mp,prm%Schmid_trans(1:3,1:3,i)) isFCC: if (prm%isFCC) then s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) From c3380aa9f3562339eecd1076b1418d92539ef820 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 26 Sep 2018 09:22:12 +0200 Subject: [PATCH 070/143] using wrong (uninitialized) stress --- src/plastic_dislotwin.f90 | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 82797b503..6274b6b12 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1098,8 +1098,6 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,ipc,ip,el 0, 1, 1 & ],pReal),[ 3,6]) - real(pReal), dimension(3,3) :: & - S !< Second-Piola Kirchhoff stress type(tParameters) :: prm !< parameters of present instance type(tDislotwinState) :: ste !< state of present instance @@ -1138,7 +1136,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,ipc,ip,el sb_s = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_sComposition(1:3,i)) sb_m = 0.5_pReal*sqrt(2.0_pReal)*math_mul33x3(eigVectors,sb_mComposition(1:3,i)) Schmid_shearBand = math_tensorproduct33(sb_s,sb_m) - tau = math_mul33xx33(S,Schmid_shearBand) + tau = math_mul33xx33(Mp,Schmid_shearBand) significantShearBandStress: if (abs(tau) > tol_math_check) then StressRatio_p = (abs(tau)/prm%sbResistance)**prm%pShearBand From e7b8adadd02e441e2908ab6b12697710053c0c39 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 1 Oct 2018 22:14:54 +0200 Subject: [PATCH 071/143] passing in instance and of is much easier also using always the full Mandel stress tensor to avoid repeated conversion --- src/constitutive.f90 | 21 ++++++--- src/plastic_dislotwin.f90 | 99 ++++++++++++++++----------------------- 2 files changed, 55 insertions(+), 65 deletions(-) diff --git a/src/constitutive.f90 b/src/constitutive.f90 index c44f90b41..e8b8f44f1 100644 --- a/src/constitutive.f90 +++ b/src/constitutive.f90 @@ -513,7 +513,7 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType of = phasememberAt(ipc,ip,el) instance = phase_plasticityInstance(material_phase(ipc,ip,el)) - call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of) + call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of) case (PLASTICITY_KINEHARDENING_ID) plasticityType call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp),ipc,ip,el) @@ -525,8 +525,9 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, S6, Fi, ipc, ip, e dLp_dMp = math_Plain99to3333(dLp_dMp99) ! ToDo: We revert here the last statement in plastic_xx_LpAndItsTanget case (PLASTICITY_DISLOTWIN_ID) plasticityType - call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp, Mp, & - temperature(ho)%p(tme),ipc,ip,el) + of = phasememberAt(ipc,ip,el) + instance = phase_plasticityInstance(material_phase(ipc,ip,el)) + call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of) case (PLASTICITY_DISLOUCLA_ID) plasticityType call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp99, math_Mandel33to6(Mp), & @@ -913,8 +914,9 @@ subroutine constitutive_collectDotState(S6, FeArray, Fi, FpArray, subdt, subfrac call plastic_kinehardening_dotState(math_Mandel33to6(Mp),ipc,ip,el) case (PLASTICITY_DISLOTWIN_ID) plasticityType - call plastic_dislotwin_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), & - ipc,ip,el) + of = phasememberAt(ipc,ip,el) + instance = phase_plasticityInstance(material_phase(ipc,ip,el)) + call plastic_dislotwin_dotState (Mp,temperature(ho)%p(tme),instance,of) case (PLASTICITY_DISLOUCLA_ID) plasticityType call plastic_disloucla_dotState (math_Mandel33to6(Mp),temperature(ho)%p(tme), & @@ -1126,20 +1128,27 @@ function constitutive_postResults(S6, Fi, FeArray, ipc, ip, el) case (PLASTICITY_ISOTROPIC_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_isotropic_postResults(S6,ipc,ip,el) + case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType of = phasememberAt(ipc,ip,el) instance = phase_plasticityInstance(material_phase(ipc,ip,el)) constitutive_postResults(startPos:endPos) = & plastic_phenopowerlaw_postResults(Mp,instance,of) + case (PLASTICITY_KINEHARDENING_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_kinehardening_postResults(S6,ipc,ip,el) + case (PLASTICITY_DISLOTWIN_ID) plasticityType + of = phasememberAt(ipc,ip,el) + instance = phase_plasticityInstance(material_phase(ipc,ip,el)) constitutive_postResults(startPos:endPos) = & - plastic_dislotwin_postResults(S6,temperature(ho)%p(tme),ipc,ip,el) + plastic_dislotwin_postResults(Mp,temperature(ho)%p(tme),instance,of) + case (PLASTICITY_DISLOUCLA_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_disloucla_postResults(S6,temperature(ho)%p(tme),ipc,ip,el) + case (PLASTICITY_NONLOCAL_ID) plasticityType constitutive_postResults(startPos:endPos) = & plastic_nonlocal_postResults (S6,FeArray,ip,el) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 6274b6b12..7caff4bdd 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1042,7 +1042,7 @@ end subroutine plastic_dislotwin_microstructure !-------------------------------------------------------------------------------------------------- !> @brief calculates plastic velocity gradient and its tangent !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,ipc,ip,el) +subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,instance,of) use prec, only: & tol_math_check, & dNeq0 @@ -1058,21 +1058,21 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,ipc,ip,el phasememberAt implicit none - integer(pInt), intent(in) :: ipc,ip,el - real(pReal), intent(in) :: Temperature - real(pReal), dimension(3,3), intent(in) :: Mp - real(pReal), dimension(3,3), intent(out) :: Lp - real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp + real(pReal), dimension(3,3), intent(out) :: Lp + real(pReal), dimension(3,3,3,3), intent(out) :: dLp_dMp + real(pReal), dimension(3,3), intent(in) :: Mp + integer(pInt), intent(in) :: instance,of + real(pReal), intent(in) :: Temperature - integer(pInt) :: of,i,k,l,m,n,s1,s2 + integer(pInt) :: i,k,l,m,n,s1,s2 real(pReal) :: f_unrotated,StressRatio_p,& StressRatio_r,BoltzmannRatio,Ndot0_twin,stressRatio, & Ndot0_trans,StressRatio_s, & dgdot_dtau, & tau - real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: & + real(pReal), dimension(param(instance)%totalNslip) :: & gdot_slip,dgdot_dtau_slip - real(pReal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNtwin) :: & + real(pReal), dimension(param(instance)%totalNtwin) :: & gdot_twin,dgdot_dtau_twin real(pReal):: gdot_sb,gdot_trans real(pReal), dimension(3,3) :: eigVectors, Schmid_shearBand @@ -1101,11 +1101,7 @@ subroutine plastic_dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,Temperature,ipc,ip,el type(tParameters) :: prm !< parameters of present instance type(tDislotwinState) :: ste !< state of present instance - of = phasememberAt(ipc,ip,el) - - associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),& - stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & - mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) + associate(prm => param(instance), stt => state(instance), mse => microstructure(instance)) f_unrotated = 1.0_pReal & - sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) & @@ -1206,7 +1202,7 @@ end subroutine plastic_dislotwin_LpAndItsTangent !-------------------------------------------------------------------------------------------------- !> @brief calculates the rate of change of microstructure !-------------------------------------------------------------------------------------------------- -subroutine plastic_dislotwin_dotState(Mp,Temperature,ipc,ip,el) +subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) use prec, only: & tol_math_check, & dEq0 @@ -1223,21 +1219,19 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,ipc,ip,el) implicit none real(pReal), dimension(3,3), intent(in):: & Mp !< Mandel stress - real(pReal), intent(in) :: & + real(pReal), intent(in) :: & temperature !< temperature at integration point - integer(pInt), intent(in) :: & - ipc, & !< component-ID of integration point - ip, & !< integration point - el !< element + integer(pInt), intent(in) :: & + instance, & + of - integer(pInt) :: i,s1,s2, & - of + integer(pInt) :: i,s1,s2 real(pReal) :: f_unrotated,StressRatio_p,BoltzmannRatio,& EdgeDipMinDistance,AtomicVolume,VacancyDiffusion,StressRatio_r,Ndot0_twin,stressRatio,& Ndot0_trans,StressRatio_s,EdgeDipDistance, ClimbVelocity,DotRhoEdgeDipClimb,DotRhoEdgeDipAnnihilation, & DotRhoDipFormation,DotRhoMultiplication,DotRhoEdgeEdgeAnnihilation, & tau - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%Nslip) :: & + real(pReal), dimension(plasticState(instance)%Nslip) :: & gdot_slip @@ -1245,14 +1239,9 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,ipc,ip,el) type(tDislotwinState) :: stt, dot type(tDislotwinMicrostructure) :: mse - !* Shortened notation - of = phasememberAt(ipc,ip,el) - - associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & - stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & - dot => dotstate(phase_plasticityInstance(material_phase(ipc,ip,el))), & - mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) + associate(prm => param(instance), stt => state(instance), & + dot => dotstate(instance), mse => microstructure(instance)) dot%whole(:,of) = 0.0_pReal @@ -1436,7 +1425,8 @@ pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau if(present(dgdot_dtau_slip)) dgdot_dtau_slip = dgdot_dtau end subroutine - + + !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on slip systems !-------------------------------------------------------------------------------------------------- @@ -1594,7 +1584,7 @@ end subroutine !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- -function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(postResults) +function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postResults) use prec, only: & tol_math_check, & dEq0 @@ -1609,42 +1599,33 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos phasememberAt implicit none - real(pReal), dimension(6), intent(in) :: & - Tstar_v !< 2nd Piola Kirchhoff stress tensor in Mandel notation + real(pReal), dimension(3,3),intent(in) :: & + Mp !< 2nd Piola Kirchhoff stress tensor in Mandel notation real(pReal), intent(in) :: & temperature !< temperature at integration point integer(pInt), intent(in) :: & - ipc, & !< component-ID of integration point - ip, & !< integration point - el !< element + instance, & + of + + real(pReal), dimension(sum(plastic_dislotwin_sizePostResult(:,instance))) :: & + postResults - real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults) :: & - postResults integer(pInt) :: & o,c,j,& - s1,s2, & - of + s1,s2 real(pReal) :: sumf_twin,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & stressRatio - real(preal), dimension(param(phase_plasticityInstance(material_phase(ipc,ip,el)))%totalNslip) :: & + real(preal), dimension(param(instance)%totalNslip) :: & gdot_slip - real(pReal), dimension(3,3) :: & - S !< Second-Piola Kirchhoff stress type(tParameters) :: prm type(tDislotwinState) :: stt type(tDislotwinMicrostructure) :: mse - !* Shortened notation - of = phasememberAt(ipc,ip,el) - S = math_Mandel6to33(Tstar_v) + associate(prm => param(instance), stt => state(instance), mse => microstructure(instance)) - associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))), & - stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))), & - mse => microstructure(phase_plasticityInstance(material_phase(ipc,ip,el)))) - - sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) ! safe for prm%totalNtwin == 0 + sumf_twin = sum(stt%twinFraction(1_pInt:prm%totalNtwin,of)) c = 0_pInt postResults = 0.0_pReal @@ -1659,7 +1640,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos c = c + prm%totalNslip case (shear_rate_slip_ID) do j = 1_pInt, prm%totalNslip - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then stressRatio = ((abs(tau)-mse%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& @@ -1685,7 +1666,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos c = c + prm%totalNslip case (resolved_stress_slip_ID) do j = 1_pInt, prm%totalNslip - postResults(c+j) = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) enddo c = c + prm%totalNslip case (threshold_stress_slip_ID) @@ -1694,7 +1675,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos case (edge_dipole_distance_ID) do j = 1_pInt, prm%totalNslip postResults(c+j) = (3.0_pReal*prm%mu*prm%burgers_slip(j)) & - / (16.0_pReal*PI*abs(math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)))) + / (16.0_pReal*PI*abs(math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)))) postResults(c+j)=min(postResults(c+j),mse%mfp_slip(j,of)) ! postResults(c+j)=max(postResults(c+j),& ! plasticState(ph)%state(4*ns+2*nt+2*nr+j, of)) @@ -1726,7 +1707,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos c = c + prm%totalNtwin case (shear_rate_twin_ID) do j = 1_pInt, prm%totalNslip - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then StressRatio_p = ((abs(tau)-mse%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& @@ -1747,7 +1728,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos enddo do j = 1_pInt, prm%totalNtwin - tau = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + tau = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) if ( tau > 0.0_pReal ) then isFCCtwin: if (prm%isFCC) then @@ -1778,7 +1759,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos c = c + prm%totalNtwin case (resolved_stress_twin_ID) do j = 1_pInt, prm%totalNtwin - postResults(c+j) = math_mul33xx33(S,prm%Schmid_twin(1:3,1:3,j)) + postResults(c+j) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,j)) enddo c = c + prm%totalNtwin case (threshold_stress_twin_ID) @@ -1786,7 +1767,7 @@ function plastic_dislotwin_postResults(Tstar_v,Temperature,ipc,ip,el) result(pos c = c + prm%totalNtwin case (stress_exponent_ID) do j = 1_pInt, prm%totalNslip - tau = math_mul33xx33(S,prm%Schmid_slip(1:3,1:3,j)) + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then StressRatio_p = ((abs(tau)-mse%threshold_stress_slip(j,of))/& (prm%SolidSolutionStrength+& From 5d1e648d17e9a7151b27e6238d6fb13f767da08d Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 2 Oct 2018 15:25:40 +0200 Subject: [PATCH 072/143] drag coefficient B introduced and read in --- src/plastic_dislotwin.f90 | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 7caff4bdd..d1cdf15db 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -109,7 +109,8 @@ module plastic_dislotwin q, & !< q-exponent in glide velocity r, & !< r-exponent in twin nucleation rate s, & !< s-exponent in trans nucleation rate - shear_twin !< characteristic shear for twins + shear_twin, & !< characteristic shear for twins + B !< drag coefficient real(pReal), dimension(:,:), allocatable, private :: & interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance @@ -326,6 +327,9 @@ subroutine plastic_dislotwin_init(fileUnit) if (size(prm%burgers_slip) /= size(prm%Nslip)) call IO_error(150_pInt,ext_msg='slipburgers') prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) + prm%B = config_phase(p)%getFloats('B',defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) + prm%B = math_expand(prm%B,prm%Nslip) + prm%Qedge = config_phase(p)%getFloats('qedge') prm%Qedge = math_expand(prm%Qedge,prm%Nslip) From 9cc3a77e01d52a44b76f32d4cc0803742c95c716 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 2 Oct 2018 15:56:18 +0200 Subject: [PATCH 073/143] mean velocity of dislocation corrected for higher temperatures - v_wait: obstacle spacing over waiting time (effective velocity) - v_run: 'true' velocity of a dislocation moving between obstacles for higher temperatures v_run becomes important and bounds the velocity --- src/plastic_dislotwin.f90 | 37 ++++++++++++++++++++++--------------- 1 file changed, 22 insertions(+), 15 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index d1cdf15db..86bd1010d 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1404,20 +1404,27 @@ pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau tau, & stressRatio, & StressRatio_p, & - BoltzmannRatio + BoltzmannRatio, & + v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles + v_run_inverse, & !< inverse of the velocity of a free moving dislocation + tau_eff !< effective resolved stress integer(pInt) :: i do i = 1_pInt, prm%totalNslip tau(i) = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) enddo + + tau_eff = abs(tau)-mse%threshold_stress_slip(:,of) + + significantStress: where(tau_eff > tol_math_check) + stressRatio = tau_eff/(prm%SolidSolutionStrength+prm%tau_peierls) + StressRatio_p = stressRatio** prm%p + BoltzmannRatio = prm%Qedge/(kB*Temperature) + v_wait_inverse = prm%v0**(-1.0_pReal) * exp(BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q) + v_run_inverse = prm%B/(tau_eff*prm%burgers_slip) + + gdot_slip = sign(stt%rhoEdge(:,of)*prm%burgers_slip/(v_wait_inverse+v_run_inverse),tau) - significantStress: where((abs(tau)-mse%threshold_stress_slip(:,of)) > tol_math_check) - stressRatio = ((abs(tau)- mse%threshold_stress_slip(:,of))/& - (prm%SolidSolutionStrength+prm%tau_peierls(:))) - StressRatio_p = stressRatio** prm%p - BoltzmannRatio = prm%Qedge/(kB*Temperature) - gdot_slip = stt%rhoEdge(:,of)*prm%burgers_slip* prm%v0 & - * sign(exp(-BoltzmannRatio*(1.0_pReal-StressRatio_p)** prm%q), tau) dgdot_dtau = abs(gdot_slip)*BoltzmannRatio*prm%p * prm%q & / (prm%SolidSolutionStrength+prm%tau_peierls) & * stressRatio**(prm%p-1.0_pReal)*(1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) @@ -1428,11 +1435,11 @@ pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau if(present(dgdot_dtau_slip)) dgdot_dtau_slip = dgdot_dtau -end subroutine +end subroutine kinetics_slip !-------------------------------------------------------------------------------------------------- -!> @brief calculates shear rates on slip systems +!> @brief calculates shear rates on twin systems !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin,dgdot_dtau_twin) use prec, only: & @@ -1475,7 +1482,7 @@ pure subroutine kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin, s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) if (tau(i) < mse%tau_r_twin(i,of)) then - Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& !!!!! correct? + Ndot0_twin=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_twin*prm%burgers_slip(i))*& (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& @@ -1500,7 +1507,7 @@ pure subroutine kinetics_twin(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_twin, if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau -end subroutine +end subroutine kinetics_twin !-------------------------------------------------------------------------------------------------- @@ -1547,8 +1554,8 @@ pure subroutine kinetics_trans(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_tran s1=prm%fcc_twinNucleationSlipPair(1,i) s2=prm%fcc_twinNucleationSlipPair(2,i) if (tau(i) < mse%tau_r_trans(i,of)) then - Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& ! s1/s2 mixing correct? - abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& + Ndot0_trans=(abs(gdot_slip(s1))*(stt%rhoEdge(s2,of)+stt%rhoEdgeDip(s2,of))+& + abs(gdot_slip(s2))*(stt%rhoEdge(s1,of)+stt%rhoEdgeDip(s1,of)))/& (prm%L0_trans*prm%burgers_slip(i))*& ! burgers_slip correct? (1.0_pReal-exp(-prm%VcrossSlip/(kB*Temperature)*& (mse%tau_r_trans(i,of)-tau))) @@ -1583,7 +1590,7 @@ pure subroutine kinetics_trans(prm,stt,mse,of,Mp,temperature,gdot_slip,gdot_tran ! ! if(present(dgdot_dtau_twin)) dgdot_dtau_twin = dgdot_dtau ! -end subroutine +end subroutine kinetics_trans !-------------------------------------------------------------------------------------------------- !> @brief return array of constitutive results From 0047e6c14c87198dc2fc8b1602981b69a3034314 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 2 Oct 2018 16:44:13 +0200 Subject: [PATCH 074/143] correct calculation of dGdot_dTau needs to take drag coefficient into account for the derivative --- src/plastic_dislotwin.f90 | 18 +++++++++++++----- 1 file changed, 13 insertions(+), 5 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 86bd1010d..377b142b5 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1405,8 +1405,11 @@ pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau stressRatio, & StressRatio_p, & BoltzmannRatio, & - v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles - v_run_inverse, & !< inverse of the velocity of a free moving dislocation + v_wait_inverse, & !< inverse of the effective velocity of a dislocation waiting at obstacles (unsigned) + v_run_inverse, & !< inverse of the velocity of a free moving dislocation (unsigned) + dV_wait_inverse_dTau, & + dV_run_inverse_dTau, & + dV_dTau, & tau_eff !< effective resolved stress integer(pInt) :: i @@ -1425,9 +1428,14 @@ pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau gdot_slip = sign(stt%rhoEdge(:,of)*prm%burgers_slip/(v_wait_inverse+v_run_inverse),tau) - dgdot_dtau = abs(gdot_slip)*BoltzmannRatio*prm%p * prm%q & - / (prm%SolidSolutionStrength+prm%tau_peierls) & - * stressRatio**(prm%p-1.0_pReal)*(1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) + dV_wait_inverse_dTau = v_wait_inverse * prm%p * prm%q * BoltzmannRatio & + * (stressRatio**(prm%p-1.0_pReal)) & + * (1.0_pReal-StressRatio_p)**(prm%q-1.0_pReal) & + / (prm%SolidSolutionStrength+prm%tau_peierls) + dV_run_inverse_dTau = v_run_inverse/tau_eff + dV_dTau = (dV_wait_inverse_dTau+dV_run_inverse_dTau) & + / (v_wait_inverse+v_run_inverse)**2.0_pReal + dgdot_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%burgers_slip else where significantStress gdot_slip = 0.0_pReal dgdot_dtau = 0.0_pReal From f1750b4eef8a6c36ad531984ba62d2886b6ba34a Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 4 Oct 2018 14:51:32 +0200 Subject: [PATCH 075/143] avoiding use of unitialized arrays --- src/plastic_dislotwin.f90 | 36 +++++++++++++++++++++++++----------- 1 file changed, 25 insertions(+), 11 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 377b142b5..f6c8604ae 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -338,15 +338,21 @@ subroutine plastic_dislotwin_init(fileUnit) prm%interaction_SlipSlip = spread(config_phase(p)%getFloats('interaction_slipslip'),2,1) - prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') prm%CLambdaSlip = config_phase(p)%getFloats('clambdaslip') prm%CLambdaSlip= math_expand(prm%CLambdaSlip,prm%Nslip) - prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',defaultVal=[0.0_pReal]) + prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) + prm%tau_peierls = math_expand(prm%tau_peierls,prm%Nslip) prm%p = config_phase(p)%getFloats('p_slip') + prm%p = math_expand(prm%p,prm%Nslip) prm%q = config_phase(p)%getFloats('q_slip') + prm%q = math_expand(prm%p,prm%Nslip) + + prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') + else + allocate(prm%burgers_slip(0)) endif prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyInt) @@ -375,12 +381,13 @@ subroutine plastic_dislotwin_init(fileUnit) prm%r = config_phase(p)%getFloats('r_twin') prm%r = math_expand(prm%r,prm%Ntwin) - prm%L0_twin = config_phase(p)%getFloat('l0_twin') - - + else + allocate(prm%twinsize(0)) + allocate(prm%burgers_twin(0)) + allocate(prm%r(0)) endif - + prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyInt) prm%totalNtrans = sum(prm%Ntrans) !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) @@ -404,6 +411,9 @@ subroutine plastic_dislotwin_init(fileUnit) prm%lamellarsizePerTransSystem = math_expand(prm%lamellarsizePerTransSystem,prm%Ntrans) prm%s = config_phase(p)%getFloats('s_trans',defaultVal=[0.0_pReal]) prm%s = math_expand(prm%s,prm%Ntrans) + else + allocate(prm%lamellarsizePerTransSystem(0)) + allocate(prm%burgers_trans(0)) endif if (sum(prm%Ntwin) > 0_pInt .or. prm%totalNtrans > 0_pInt) then @@ -962,9 +972,11 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) sfe = prm%SFE_0K + prm%dSFE_dT * Temperature !* rescaled volume fraction for topology - fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: This is per system + fOverStacksize = stt%twinFraction(1_pInt:prm%totalNtwin,of)/prm%twinsize !ToDo: this is per system ftransOverLamellarSize = sumf_trans/prm%lamellarsizePerTransSystem !ToDo: But this not ... - + !Todo: Physically ok, but naming could be adjusted + + !* 1/mean free distance between 2 forest dislocations seen by a moving dislocation forall (i = 1_pInt:prm%totalNslip) & mse%invLambdaSlip(i,of) = & @@ -1020,12 +1032,14 @@ subroutine plastic_dislotwin_microstructure(temperature,ipc,ip,el) prm%interaction_SlipSlip(i,1:prm%totalNslip))) !* threshold stress for growing twin/martensite + if(prm%totalNtwin == prm%totalNslip) & mse%threshold_stress_twin(:,of) = prm%Cthresholdtwin* & (sfe/(3.0_pReal*prm%burgers_twin)+ 3.0_pReal*prm%burgers_twin*prm%mu/ & (prm%L0_twin*prm%burgers_slip)) ! slip burgers here correct? - mse%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & - (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/& - (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) + if(prm%totalNtrans == prm%totalNslip) & + mse%threshold_stress_trans(:,of) = prm%Cthresholdtrans* & + (sfe/(3.0_pReal*prm%burgers_trans) + 3.0_pReal*prm%burgers_trans*prm%mu/& + (prm%L0_trans*prm%burgers_slip) + prm%transStackHeight*prm%deltaG/ (3.0_pReal*prm%burgers_trans) ) ! final volume after growth mse%twinVolume(:,of) = (PI/4.0_pReal)*prm%twinsize*mse%mfp_twin(:,of)**2.0_pReal From 12d053d123555d3fed910fe5930f64b20f581c98 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 4 Oct 2018 14:54:00 +0200 Subject: [PATCH 076/143] strange parameter caused simulation not to start if not defined probably a leftover. now only bothers you if twin systems are defined --- src/plastic_dislotwin.f90 | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index f6c8604ae..b23c9fa00 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -382,6 +382,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%r = math_expand(prm%r,prm%Ntwin) prm%L0_twin = config_phase(p)%getFloat('l0_twin') + prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults else allocate(prm%twinsize(0)) allocate(prm%burgers_twin(0)) @@ -442,7 +443,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%CAtomicVolume = config_phase(p)%getFloat('catomicvolume') prm%GrainSize = config_phase(p)%getFloat('grainsize') - prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults + prm%D0 = config_phase(p)%getFloat('d0') prm%Qsd = config_phase(p)%getFloat('qsd') From edb94b8bc95bdeca8c9a234a0f45b60807a0a902 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 4 Oct 2018 16:12:14 +0200 Subject: [PATCH 077/143] using the same kinetics for slip everywhere --- src/plastic_dislotwin.f90 | 42 ++++++++------------------------------- 1 file changed, 8 insertions(+), 34 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index b23c9fa00..9e03daae1 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1269,20 +1269,11 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) - sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) & - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - slipState: do i = 1_pInt, prm%totalNslip - + slipState1: do i = 1_pInt, prm%totalNslip tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) - - significantSlipStress1: if((abs(tau)-mse%threshold_stress_slip(i,of)) > tol_math_check) then - stressRatio =((abs(tau)- mse%threshold_stress_slip(i,of))/& - (prm%SolidSolutionStrength+prm%tau_peierls(i))) - StressRatio_p = stressRatio** prm%p(i) - BoltzmannRatio = prm%Qedge(i)/(kB*Temperature) - gdot_slip(i) = stt%rhoEdge(i,of)*prm%burgers_slip(i)*prm%v0(i) & - * sign(exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**prm%q(i)),tau) - else significantSlipStress1 - gdot_slip(i) = 0.0_pReal - endif significantSlipStress1 + enddo slipState1 + call kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip) + slipState2: do i = 1_pInt, prm%totalNslip DotRhoMultiplication = abs(gdot_slip(i))/(prm%burgers_slip(i)*mse%mfp_slip(i,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(i) @@ -1324,7 +1315,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) dot%rhoEdge(i,of) = DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation dot%rhoEdgeDip(i,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb dot%accshear_slip(i,of) = abs(gdot_slip(i)) - enddo slipState + enddo slipState2 twinState: do i = 1_pInt, prm%totalNtwin @@ -1433,7 +1424,7 @@ pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau enddo tau_eff = abs(tau)-mse%threshold_stress_slip(:,of) - + significantStress: where(tau_eff > tol_math_check) stressRatio = tau_eff/(prm%SolidSolutionStrength+prm%tau_peierls) StressRatio_p = stressRatio** prm%p @@ -1649,7 +1640,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe s1,s2 real(pReal) :: sumf_twin,tau,StressRatio_p,StressRatio_pminus1,BoltzmannRatio,DotGamma0,StressRatio_r,Ndot0_twin,dgdot_dtauslip, & stressRatio - real(preal), dimension(param(instance)%totalNslip) :: & + real(pReal), dimension(param(instance)%totalNslip) :: & gdot_slip type(tParameters) :: prm @@ -1673,24 +1664,7 @@ function plastic_dislotwin_postResults(Mp,Temperature,instance,of) result(postRe postResults(c+1_pInt:c+prm%totalNslip) = stt%rhoEdgeDip(1_pInt:prm%totalNslip,of) c = c + prm%totalNslip case (shear_rate_slip_ID) - do j = 1_pInt, prm%totalNslip - tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,j)) - if((abs(tau)-mse%threshold_stress_slip(j,of)) > tol_math_check) then - stressRatio = ((abs(tau)-mse%threshold_stress_slip(j,of))/& - (prm%SolidSolutionStrength+& - prm%tau_peierls(j))) - StressRatio_p = stressRatio** prm%p(j) - StressRatio_pminus1 = stressRatio**(prm%p(j)-1.0_pReal) - BoltzmannRatio = prm%Qedge(j)/(kB*Temperature) - - DotGamma0 = stt%rhoEdge(j,of)*prm%burgers_slip(j)* prm%v0(j) - - postResults(c+j) = DotGamma0*exp(-BoltzmannRatio*(1_pInt-StressRatio_p)**& - prm%q(j))*sign(1.0_pReal,tau) - else - postResults(c+j) = 0.0_pReal - endif - enddo + call kinetics_slip(prm,stt,mse,of,Mp,temperature,postResults(c+1:c+prm%totalNslip)) c = c + prm%totalNslip case (accumulated_shear_slip_ID) postResults(c+1_pInt:c+prm%totalNslip) = stt%accshear_slip(1_pInt:prm%totalNslip,of) From 0cddf361060a0a21e2c68520ee45336f9928b7f3 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 5 Oct 2018 17:47:46 +0200 Subject: [PATCH 078/143] typo, using value of p_slip for q --- src/plastic_dislotwin.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 9e03daae1..3d976f547 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -348,7 +348,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%p = config_phase(p)%getFloats('p_slip') prm%p = math_expand(prm%p,prm%Nslip) prm%q = config_phase(p)%getFloats('q_slip') - prm%q = math_expand(prm%p,prm%Nslip) + prm%q = math_expand(prm%q,prm%Nslip) prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') else From 3a39c2d68ca923d7be4a882cf9e10ead3bfa4f5b Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 5 Oct 2018 17:54:24 +0200 Subject: [PATCH 079/143] [skip ci] strings will be converted to lowercase --- src/plastic_dislotwin.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 3d976f547..7a816fc69 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -327,7 +327,7 @@ subroutine plastic_dislotwin_init(fileUnit) if (size(prm%burgers_slip) /= size(prm%Nslip)) call IO_error(150_pInt,ext_msg='slipburgers') prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) - prm%B = config_phase(p)%getFloats('B',defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) + prm%B = config_phase(p)%getFloats('b',defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) prm%B = math_expand(prm%B,prm%Nslip) prm%Qedge = config_phase(p)%getFloats('qedge') From 51a3308a3d3bf108f3d3ab863f47ff16ae3ef4c4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 11 Oct 2018 17:28:00 +0200 Subject: [PATCH 080/143] bugfix: same tau was used for all systems --- src/plastic_dislotwin.f90 | 8 +++----- 1 file changed, 3 insertions(+), 5 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 7a816fc69..a575687f2 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -1269,11 +1269,9 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) - sum(stt%stressTransFraction(1_pInt:prm%totalNtrans,of)) & - sum(stt%strainTransFraction(1_pInt:prm%totalNtrans,of)) - slipState1: do i = 1_pInt, prm%totalNslip - tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) - enddo slipState1 call kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip) - slipState2: do i = 1_pInt, prm%totalNslip + slipState: do i = 1_pInt, prm%totalNslip + tau = math_mul33xx33(Mp,prm%Schmid_slip(1:3,1:3,i)) DotRhoMultiplication = abs(gdot_slip(i))/(prm%burgers_slip(i)*mse%mfp_slip(i,of)) EdgeDipMinDistance = prm%CEdgeDipMinDistance*prm%burgers_slip(i) @@ -1315,7 +1313,7 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) dot%rhoEdge(i,of) = DotRhoMultiplication-DotRhoDipFormation-DotRhoEdgeEdgeAnnihilation dot%rhoEdgeDip(i,of) = DotRhoDipFormation-DotRhoEdgeDipAnnihilation-DotRhoEdgeDipClimb dot%accshear_slip(i,of) = abs(gdot_slip(i)) - enddo slipState2 + enddo slipState twinState: do i = 1_pInt, prm%totalNtwin From 854d3ab7745cf217fa0378db2d422ca894acf69c Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 12 Oct 2018 08:23:56 +0200 Subject: [PATCH 081/143] clearer logic for controlling dipole formation --- src/plastic_dislotwin.f90 | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index a575687f2..d665cbab7 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -75,7 +75,6 @@ module plastic_dislotwin sbQedge, & !< value for shearband systems Qedge SFE_0K, & !< stacking fault energy at zero K dSFE_dT, & !< temperature dependance of stacking fault energy - dipoleFormationFactor, & !< scaling factor for dipole formation: 0: off, 1: on. other values not useful aTolRho, & !< absolute tolerance for integration of dislocation density aTolTwinFrac, & !< absolute tolerance for integration of twin volume fraction aTolTransFrac, & !< absolute tolerance for integration of trans volume fraction @@ -130,6 +129,8 @@ module plastic_dislotwin Schmid_twin, & C66_twin, & C66_trans + logical, private :: & + dipoleFormation !< flag indicating consideration of dipole formation end type type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance) @@ -448,7 +449,8 @@ subroutine plastic_dislotwin_init(fileUnit) prm%D0 = config_phase(p)%getFloat('d0') prm%Qsd = config_phase(p)%getFloat('qsd') prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') - prm%dipoleFormationFactor= config_phase(p)%getFloat('dipoleformationfactor', defaultVal=1.0_pReal) ! ToDo: How to handle that??? + if (config_phase(p)%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/') + prm%dipoleformation = .not. config_phase(p)%keyExists('/nodipoleformation') prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) if (prm%sbVelocity > 0.0_pReal) then prm%sbResistance = config_phase(p)%getFloat('shearbandresistance') @@ -582,9 +584,6 @@ subroutine plastic_dislotwin_init(fileUnit) !if (prm%sbVelocity > 0.0_pReal .and. & ! prm%pShearBand <= 0.0_pReal) & ! call IO_error(211_pInt,el=p,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') - if (dNeq0(prm%dipoleFormationFactor) .and. & - dNeq(prm%dipoleFormationFactor, 1.0_pReal)) & - call IO_error(211_pInt,el=p,ext_msg='dipoleFormationFactor ('//PLASTICITY_DISLOTWIN_label//')') if (prm%sbVelocity > 0.0_pReal .and. & prm%qShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') @@ -1283,8 +1282,9 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) (16.0_pReal*PI*abs(tau)) if (EdgeDipDistance>mse%mfp_slip(i,of)) EdgeDipDistance=mse%mfp_slip(i,of) if (EdgeDipDistance Date: Fri, 12 Oct 2018 08:26:24 +0200 Subject: [PATCH 082/143] simplifying - whole type is private, no need to make the components private - target not needed when using associate --- src/plastic_dislotwin.f90 | 20 ++++++++++---------- 1 file changed, 10 insertions(+), 10 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index d665cbab7..6f2a8fede 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -46,7 +46,7 @@ module plastic_dislotwin end enum type,private :: tParameters - integer(kind(undefined_ID)), dimension(:), allocatable, private :: & + integer(kind(undefined_ID)), dimension(:), allocatable :: & outputID !< ID of each post result output logical :: & @@ -82,15 +82,15 @@ module plastic_dislotwin Cmfptrans, & !< Cthresholdtrans, & !< transStackHeight !< Stack height of hex nucleus - integer(pInt), private :: & + integer(pInt) :: & totalNslip, & !< number of active slip systems for each family and instance totalNtwin, & !< number of active twin systems for each family and instance totalNtrans !< number of active transformation systems for each family and instance - integer(pInt), dimension(:), allocatable, private :: & + integer(pInt), dimension(:), allocatable :: & Nslip, & !< number of active slip systems for each family and instance Ntwin, & !< number of active twin systems for each family and instance Ntrans !< number of active transformation systems for each family and instance - real(pReal), dimension(:), allocatable, private :: & + real(pReal), dimension(:), allocatable :: & rho0, & !< initial unipolar dislocation density per slip system rhoDip0, & !< initial dipole dislocation density per slip system burgers_slip, & !< absolute length of burgers vector [m] for each slip systems @@ -110,7 +110,7 @@ module plastic_dislotwin s, & !< s-exponent in trans nucleation rate shear_twin, & !< characteristic shear for twins B !< drag coefficient - real(pReal), dimension(:,:), allocatable, private :: & + real(pReal), dimension(:,:), allocatable :: & interaction_SlipSlip, & !< coefficients for slip-slip interaction for each interaction type and instance interaction_SlipTwin, & !< coefficients for slip-twin interaction for each interaction type and instance interaction_TwinSlip, & !< coefficients for twin-slip interaction for each interaction type and instance @@ -118,22 +118,22 @@ module plastic_dislotwin interaction_SlipTrans, & !< coefficients for slip-trans interaction for each interaction type and instance interaction_TransSlip, & !< coefficients for trans-slip interaction for each interaction type and instance interaction_TransTrans !< coefficients for trans-trans interaction for each interaction type and instance - integer(pInt), dimension(:,:), allocatable, private :: & + integer(pInt), dimension(:,:), allocatable :: & fcc_twinNucleationSlipPair - real(pReal), dimension(:,:), allocatable, private :: & + real(pReal), dimension(:,:), allocatable :: & forestProjectionEdge, & C66 - real(pReal), dimension(:,:,:), allocatable, private :: & + real(pReal), dimension(:,:,:), allocatable :: & Schmid_trans, & Schmid_slip, & Schmid_twin, & C66_twin, & C66_trans - logical, private :: & + logical :: & dipoleFormation !< flag indicating consideration of dipole formation end type - type(tParameters), dimension(:), allocatable, private,target :: param !< containers of constitutive parameters (len Ninstance) + type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type, private :: tDislotwinState From 6207781eb67a3cbdae5eff90a41fdbece1f650bf Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Fri, 12 Oct 2018 17:24:46 +0200 Subject: [PATCH 083/143] [skip ci] [skip sc] streamlining --- src/plastic_dislotwin.f90 | 91 ++++++++++++++++++--------------------- 1 file changed, 42 insertions(+), 49 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 6f2a8fede..e98112d27 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -315,51 +315,57 @@ subroutine plastic_dislotwin_init(fileUnit) prm%C66 = lattice_C66(1:6,1:6,p) prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyInt) - if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') - if (any(lattice_NslipSystem(1:size(prm%Nslip),p)-prm%Nslip < 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') - if (any(prm%Nslip < 0_pInt)) call IO_error(150_pInt,ext_msg='Nslip') prm%totalNslip = sum(prm%Nslip) - if (prm%totalNslip > 0_pInt) then - prm%rho0 = config_phase(p)%getFloats('rhoedge0') - prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0') - - prm%burgers_slip = config_phase(p)%getFloats('slipburgers') - if (size(prm%burgers_slip) /= size(prm%Nslip)) call IO_error(150_pInt,ext_msg='slipburgers') - prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) - - prm%B = config_phase(p)%getFloats('b',defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) - prm%B = math_expand(prm%B,prm%Nslip) - - prm%Qedge = config_phase(p)%getFloats('qedge') - prm%Qedge = math_expand(prm%Qedge,prm%Nslip) - - prm%v0 = config_phase(p)%getFloats('v0') - prm%v0 = math_expand(prm%v0,prm%Nslip) + slipActive: if (prm%totalNslip > 0_pInt) then + ! reading in slip related parameters + prm%rho0 = config_phase(p)%getFloats('rhoedge0', requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_0 + prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0',requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_dip_0 + prm%v0 = config_phase(p)%getFloats('v0', requiredShape=shape(prm%Nslip)) + prm%burgers_slip = config_phase(p)%getFloats('slipburgers',requiredShape=shape(prm%Nslip)) + prm%Qedge = config_phase(p)%getFloats('qedge', requiredShape=shape(prm%Nslip)) !ToDo: rename (ask Karo) + prm%CLambdaSlip = config_phase(p)%getFloats('clambdaslip',requiredShape=shape(prm%Nslip)) + prm%p = config_phase(p)%getFloats('p_slip', requiredShape=shape(prm%Nslip)) + prm%q = config_phase(p)%getFloats('q_slip', requiredShape=shape(prm%Nslip)) + prm%B = config_phase(p)%getFloats('b', requiredShape=shape(prm%Nslip), & + defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) + prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',requiredShape=shape(prm%Nslip), & + defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) prm%interaction_SlipSlip = spread(config_phase(p)%getFloats('interaction_slipslip'),2,1) + prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') - prm%CLambdaSlip = config_phase(p)%getFloats('clambdaslip') - prm%CLambdaSlip= math_expand(prm%CLambdaSlip,prm%Nslip) + ! expand slip related parameters from family => system + prm%rho0 = math_expand(prm%rho0, prm%Nslip) + prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip) + prm%v0 = math_expand(prm%v0, prm%Nslip) + prm%burgers_slip = math_expand(prm%burgers_slip,prm%Nslip) + prm%Qedge = math_expand(prm%Qedge, prm%Nslip) + prm%CLambdaSlip = math_expand(prm%CLambdaSlip, prm%Nslip) + prm%p = math_expand(prm%p, prm%Nslip) + prm%q = math_expand(prm%q, prm%Nslip) + prm%B = math_expand(prm%B, prm%Nslip) + prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip) - prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) - prm%tau_peierls = math_expand(prm%tau_peierls,prm%Nslip) + ! sanity checks for slip related parameters + if (any(prm%rho0 <= 0.0_pReal)) + if (any(prm%rhoDip0 <= 0.0_pReal)) + if (any(prm%v0 <= 0.0_pReal)) + if (any(prm%burgers_slip <= 0.0_pReal)) + if (any(prm%Qedge <= 0.0_pReal)) + if (any(prm%CLambdaSlip <= 0.0_pReal)) + if (any(prm%B <= 0.0_pReal)) + if (any(prm%tau_peierls <= 0.0_pReal)) - prm%p = config_phase(p)%getFloats('p_slip') - prm%p = math_expand(prm%p,prm%Nslip) - prm%q = config_phase(p)%getFloats('q_slip') - prm%q = math_expand(prm%q,prm%Nslip) + if (any(prm%p = (prm%p, prm%Nslip) + if (any(prm%q = math_expand(prm%q, prm%Nslip) - prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') - else + else slipActive allocate(prm%burgers_slip(0)) - endif + endif slipActive prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyInt) - if (size(prm%Ntwin) > count(lattice_NtwinSystem(:,p) > 0_pInt)) call IO_error(150_pInt,ext_msg='Ntwin') - if (any(lattice_NtwinSystem(1:size(prm%Ntwin),p)-prm%Ntwin < 0_pInt)) call IO_error(150_pInt,ext_msg='Ntwin') - if (any(prm%Ntwin < 0_pInt)) call IO_error(150_pInt,ext_msg='Ntwin') prm%totalNtwin = sum(prm%Ntwin) if (prm%totalNtwin > 0_pInt) then @@ -392,7 +398,6 @@ subroutine plastic_dislotwin_init(fileUnit) prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyInt) prm%totalNtrans = sum(prm%Ntrans) - !if (size > Nchunks_SlipFamilies + 1_pInt) call IO_error(150_pInt,ext_msg=extmsg) if (prm%totalNtrans > 0_pInt) then prm%burgers_trans = config_phase(p)%getFloats('transburgers') prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) @@ -535,19 +540,7 @@ subroutine plastic_dislotwin_init(fileUnit) enddo - do f = 1_pInt,lattice_maxNslipFamily - ! if (rhoEdge0(f,p) < 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='rhoEdge0 ('//PLASTICITY_DISLOTWIN_label//')') - ! if (rhoEdgeDip0(f,p) < 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='rhoEdgeDip0 ('//PLASTICITY_DISLOTWIN_label//')') - ! if (burgersPerSlipFamily(f,p) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='slipBurgers ('//PLASTICITY_DISLOTWIN_label//')') - !if (v0PerSlipFamily(f,p) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='v0 ('//PLASTICITY_DISLOTWIN_label//')') - !if (prm%tau_peierlsPerSlipFamily(f) < 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='tau_peierls ('//PLASTICITY_DISLOTWIN_label//')') - enddo - do f = 1_pInt,lattice_maxNtwinFamily + do f = 1_pInt,lattice_maxNtwinFamily ! if (burgersPerTwinFamily(f,p) <= 0.0_pReal) & ! call IO_error(211_pInt,el=p,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & @@ -811,14 +804,14 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=1_pInt endIndex=prm%totalNslip stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) - stt%rhoEdge= spread(math_expand(prm%rho0,prm%Nslip),2,NofMyPhase) + stt%rhoEdge= spread(prm%rho0,2,NofMyPhase) dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) - stt%rhoEdgeDip= spread(math_expand(prm%rhoDip0,prm%Nslip),2,NofMyPhase) + stt%rhoEdgeDip= spread(prm%rhoDip0,2,NofMyPhase) dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho From 513faa22185b233f171b8233af8508518d22abc4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 13 Oct 2018 11:29:07 +0200 Subject: [PATCH 084/143] investigating the reason for the poor performance --- src/plastic_phenopowerlaw.f90 | 88 ++++++++++++++++++++++++++--------- 1 file changed, 67 insertions(+), 21 deletions(-) diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index 9d30cf184..a9ac3eb3b 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -145,7 +145,7 @@ subroutine plastic_phenopowerlaw_init integer(pInt) :: & maxNinstance, & - instance,p,j,k, o, i,& + instance,p, i,& NipcMyPhase, outputSize, & sizeState,sizeDotState, & startIndex, endIndex @@ -445,7 +445,10 @@ end subroutine plastic_phenopowerlaw_init !> @brief calculates plastic velocity gradient and its tangent !-------------------------------------------------------------------------------------------------- subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) - + use prec, only: & + dNeq0 + use math, only: & + math_mul33xx33 implicit none real(pReal), dimension(3,3), intent(out) :: & Lp !< plastic velocity gradient @@ -460,9 +463,10 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) integer(pInt) :: & i,k,l,m,n - real(pReal), dimension(param(instance)%totalNslip) :: & - dgdot_dtauslip_pos,dgdot_dtauslip_neg, & - gdot_slip_pos,gdot_slip_neg + real(pReal) :: & + tau, & + gdot_slip, & + dgdot_dtau_slip real(pReal), dimension(param(instance)%totalNtwin) :: & gdot_twin,dgdot_dtautwin @@ -474,14 +478,42 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) Lp = 0.0_pReal dLp_dMp = 0.0_pReal - call kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg) - slipSystems: do i = 1_pInt, prm%totalNslip - Lp = Lp + (1.0_pReal-stt%sumF(of))*(gdot_slip_pos(i)+gdot_slip_neg(i))*prm%Schmid_slip(1:3,1:3,i) - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgdot_dtauslip_pos(i) * prm%Schmid_slip(k,l,i) * prm%nonSchmid_pos(m,n,i) & - + dgdot_dtauslip_neg(i) * prm%Schmid_slip(k,l,i) * prm%nonSchmid_neg(m,n,i) - enddo slipSystems + do i = 1_pInt, prm%totalNslip + + tau = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) + if (tau > 1.0e-8_pReal) then + + gdot_slip = prm%gdot0_slip & + * sign(abs(tau/stt%xi_slip(i,of))**prm%n_slip, tau) + if (size(prm%nonSchmidCoeff) > 0_pInt) gdot_slip = 0.5 * gdot_slip + + dgdot_dtau_slip = gdot_slip*prm%n_slip/tau + + Lp = Lp + (1.0_pReal-stt%sumF(of))*(gdot_slip)*prm%Schmid_slip(1:3,1:3,i) + + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau_slip * prm%Schmid_slip(k,l,i) * prm%nonSchmid_pos(m,n,i) + endif + + if (size(prm%nonSchmidCoeff) > 0_pInt) then + + tau = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)) + if (tau > 1.0e-8_pReal) then + + gdot_slip = 0.5_pReal * prm%gdot0_slip & + * sign(abs(tau/stt%xi_slip(i,of))**prm%n_slip, tau) + + dgdot_dtau_slip = gdot_slip*prm%n_slip/tau + + Lp = Lp + (1.0_pReal-stt%sumF(of))*(gdot_slip)*prm%Schmid_slip(1:3,1:3,i) + + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtau_slip * prm%Schmid_slip(k,l,i) * prm%nonSchmid_neg(m,n,i) + endif + endif + enddo call kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtautwin) twinSystems: do i = 1_pInt, prm%totalNtwin @@ -500,7 +532,8 @@ end subroutine plastic_phenopowerlaw_LpAndItsTangent !> @brief calculates the rate of change of microstructure !-------------------------------------------------------------------------------------------------- subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) - + use math, only: & + math_mul33xx33 implicit none real(pReal), dimension(3,3), intent(in) :: & Mp !< Mandel stress @@ -512,11 +545,10 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) i real(pReal) :: & c_SlipSlip,c_TwinSlip,c_TwinTwin, & - xi_slip_sat_offset + xi_slip_sat_offset,tau real(pReal), dimension(param(instance)%totalNslip) :: & - left_SlipSlip,right_SlipSlip, & - gdot_slip_pos,gdot_slip_neg + left_SlipSlip,right_SlipSlip type(tParameters) :: prm type(tPhenopowerlawState) :: dot,stt @@ -540,9 +572,23 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) !-------------------------------------------------------------------------------------------------- ! shear rates - call kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg) - dot%gamma_slip(:,of) = abs(gdot_slip_pos+gdot_slip_neg) - dot%sumGamma(of) = sum(dot%gamma_slip(:,of)) + do i = 1_pInt, prm%totalNslip + tau = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) + if (tau > 1.0e-8_pReal) then + dot%gamma_slip(i,of) = abs(prm%gdot0_slip & + * sign(abs(tau/stt%xi_slip(i,of))**prm%n_slip, tau)) + if (size(prm%nonSchmidCoeff) > 0_pInt) dot%gamma_slip(i,of) = 0.5 * dot%gamma_slip(i,of) + endif + + if (size(prm%nonSchmidCoeff) > 0_pInt) then + + tau = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)) + if (tau > 1.0e-8_pReal) & + dot%gamma_slip(i,of) = abs(prm%gdot0_slip *0.5_pReal & + * sign(abs(tau/stt%xi_slip(i,of))**prm%n_slip, tau)) + endif + enddo + call kinetics_twin(prm,stt,of,Mp,dot%gamma_twin(:,of)) if (stt%sumF(of) < 0.98_pReal) dot%sumF(of) = sum(dot%gamma_twin(:,of)/prm%gamma_twin_char) @@ -701,7 +747,7 @@ function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults) postResults integer(pInt) :: & - o,c,i,j + o,c,i real(pReal), dimension(param(instance)%totalNslip) :: & gdot_slip_pos,gdot_slip_neg From 4c780226d1ec2c0b3cf9bf17f8e926eb3f3c935f Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 09:26:32 +0200 Subject: [PATCH 085/143] polishing --- src/plastic_phenopowerlaw.f90 | 265 +++++++++++++++++----------------- 1 file changed, 130 insertions(+), 135 deletions(-) diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index a9ac3eb3b..3554a3aab 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -32,10 +32,7 @@ module plastic_phenopowerlaw totalvolfrac_twin_ID end enum - type, private :: tParameters !< container type for internal constitutive parameters - integer(pInt) :: & - totalNslip, & - totalNtwin + type, private :: tParameters real(pReal) :: & gdot0_slip, & !< reference shear strain rate for slip gdot0_twin, & !< reference shear strain rate for twin @@ -50,45 +47,48 @@ module plastic_phenopowerlaw h0_TwinSlip, & !< reference hardening twin - slip h0_TwinTwin, & !< reference hardening twin - twin a_slip, & - aTolResistance, & ! default absolute tolerance 1 Pa - aTolShear, & ! default absolute tolerance 1e-6 - aTolTwinfrac ! default absolute tolerance 1e-6 - integer(pInt), dimension(:), allocatable :: & - Nslip, & !< active number of slip systems per family - Ntwin !< active number of twin systems per family - real(pReal), dimension(:), allocatable :: & + aTolResistance, & !< absolute tolerance for integration of xi + aTolShear, & !< absolute tolerance for integration of gamma + aTolTwinfrac !< absolute tolerance for integration of f + real(pReal), allocatable, dimension(:) :: & xi_slip_0, & !< initial critical shear stress for slip xi_twin_0, & !< initial critical shear stress for twin xi_slip_sat, & !< maximum critical shear stress for slip nonSchmidCoeff, & H_int, & !< per family hardening activity (optional) !ToDo: Better name! gamma_twin_char !< characteristic shear for twins - real(pReal), dimension(:,:), allocatable :: & + real(pReal), allocatable, dimension(:,:) :: & interaction_SlipSlip, & !< slip resistance from slip activity interaction_SlipTwin, & !< slip resistance from twin activity interaction_TwinSlip, & !< twin resistance from slip activity interaction_TwinTwin !< twin resistance from twin activity - real(pReal), dimension(:,:,:), allocatable :: & + real(pReal), allocatable, dimension(:,:,:) :: & Schmid_slip, & Schmid_twin, & nonSchmid_pos, & nonSchmid_neg - integer(kind(undefined_ID)), dimension(:), allocatable :: & - outputID !< ID of each post result output - end type + integer(pInt) :: & + totalNslip, & !< total number of active slip system + totalNtwin !< total number of active twin systems + integer(pInt), allocatable, dimension(:) :: & + Nslip, & !< number of active slip systems for each family + Ntwin !< number of active twin systems for each family + integer(kind(undefined_ID)), allocatable, dimension(:) :: & + outputID !< ID of each post result output + end type !< container type for internal constitutive parameters type(tParameters), dimension(:), allocatable, private :: param !< containers of constitutive parameters (len Ninstance) type, private :: tPhenopowerlawState - real(pReal), pointer, dimension(:,:) :: & + real(pReal), pointer, dimension(:) :: & + sumGamma, & + sumF + real(pReal), pointer, dimension(:,:) :: & xi_slip, & xi_twin, & gamma_slip, & gamma_twin, & whole - real(pReal), pointer, dimension(:) :: & - sumGamma, & - sumF end type type(tPhenopowerlawState), allocatable, dimension(:), private :: & @@ -115,6 +115,7 @@ subroutine plastic_phenopowerlaw_init compiler_options #endif use prec, only: & + pStringLen, & dEq0 use debug, only: & debug_level, & @@ -142,16 +143,15 @@ subroutine plastic_phenopowerlaw_init numerics_integrator implicit none - integer(pInt) :: & - maxNinstance, & - instance,p, i,& + Ninstance, & + p, i, & NipcMyPhase, outputSize, & - sizeState,sizeDotState, & + sizeState, sizeDotState, & startIndex, endIndex - integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] - real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] + integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] + real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] type(tParameters) :: & @@ -163,152 +163,151 @@ subroutine plastic_phenopowerlaw_init integer(kind(undefined_ID)) :: & outputID !< ID of each post result output - character(len=512) :: & - extmsg = '', & - structure = '' - character(len=65536), dimension(:), allocatable :: outputs + character(len=pStringLen) :: & + structure = '',& + extmsg = '' + character(len=65536), dimension(:), allocatable :: & + outputs write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_PHENOPOWERLAW_label//' init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" - maxNinstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt) + Ninstance = int(count(phase_plasticity == PLASTICITY_PHENOPOWERLAW_ID),pInt) if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & - write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance + write(6,'(a16,1x,i5,/)') '# instances:',Ninstance - allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),maxNinstance),source=0_pInt) - allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),maxNinstance)) + allocate(plastic_phenopowerlaw_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt) + allocate(plastic_phenopowerlaw_output(maxval(phase_Noutput),Ninstance)) plastic_phenopowerlaw_output = '' - allocate(param(maxNinstance)) ! one container of parameters per instance - allocate(state(maxNinstance)) - allocate(dotState(maxNinstance)) + allocate(param(Ninstance)) + allocate(state(Ninstance)) + allocate(dotState(Ninstance)) do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_PHENOPOWERLAW_ID) cycle - instance = phase_plasticityInstance(p) - associate(prm => param(instance),stt => state(instance),dot => dotState(instance)) - extmsg = '' + associate(prm => param(phase_plasticityInstance(p)), & + dot => dotState(phase_plasticityInstance(p)), & + stt => state(phase_plasticityInstance(p))) - structure = config_phase(p)%getString('lattice_structure') + structure = config_phase(p)%getString('lattice_structure') +!-------------------------------------------------------------------------------------------------- +! optional parameters that need to be defined + prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal) + prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal) + prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal) + prm%twinE = config_phase(p)%getFloat('twin_e',defaultVal=0.0_pReal) + + prm%aTolResistance = config_phase(p)%getFloat('atol_resistance',defaultVal=1.0_pReal) + prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal) + prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal) + + ! sanity checks + if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//'aTolresistance ' + if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//'aTolShear ' + if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//'atoltwinfrac ' + +!-------------------------------------------------------------------------------------------------- +! slip related parameters prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray) prm%totalNslip = sum(prm%Nslip) - if (size(prm%Nslip) > count(lattice_NslipSystem(:,p) > 0_pInt)) & - call IO_error(150_pInt,ext_msg='Nslip') - if (any(lattice_NslipSystem(1:size(prm%Nslip),p)-prm%Nslip < 0_pInt)) & - call IO_error(150_pInt,ext_msg='Nslip') - slipActive: if (prm%totalNslip > 0_pInt) then - prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) - ! reading in slip related parameters + if(structure=='bcc') then + prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',& + defaultVal = emptyRealArray) + prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) + prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) + else + prm%nonSchmid_pos = prm%Schmid_slip + prm%nonSchmid_neg = prm%Schmid_slip + endif + prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & + config_phase(p)%getFloats('interaction_slipslip'), & + structure(1:3)) + prm%xi_slip_0 = config_phase(p)%getFloats('tau0_slip', requiredShape=shape(prm%Nslip)) prm%xi_slip_sat = config_phase(p)%getFloats('tausat_slip', requiredShape=shape(prm%Nslip)) - prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip,config_phase(p)%getFloats('interaction_slipslip'), & - structure(1:3)) prm%H_int = config_phase(p)%getFloats('h_int', requiredShape=shape(prm%Nslip), & defaultVal=[(0.0_pReal,i=1_pInt,size(prm%Nslip))]) - prm%nonSchmidCoeff = config_phase(p)%getFloats('nonschmid_coefficients',& - defaultVal = emptyRealArray ) - if(structure=='bcc') then - prm%nonSchmid_pos = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,+1_pInt) - prm%nonSchmid_neg = lattice_nonSchmidMatrix(prm%Nslip,prm%nonSchmidCoeff,-1_pInt) - else - prm%nonSchmid_pos = prm%Schmid_slip - prm%nonSchmid_neg = prm%Schmid_slip - endif + prm%gdot0_slip = config_phase(p)%getFloat('gdot0_slip') prm%n_slip = config_phase(p)%getFloat('n_slip') prm%a_slip = config_phase(p)%getFloat('a_slip') prm%h0_SlipSlip = config_phase(p)%getFloat('h0_slipslip') - ! sanity checks for slip related parameters - if (any(prm%xi_slip_0 < 0.0_pReal .and. prm%Nslip > 0_pInt)) & - extmsg = trim(extmsg)//"xi_slip_0 " - if (any(prm%xi_slip_sat < prm%xi_slip_0 .and. prm%Nslip > 0_pInt)) & - extmsg = trim(extmsg)//"xi_slip_sat " - - if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_slip " - if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//"a_slip " ! ToDo: negative values ok? - if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//"n_slip " ! ToDo: negative values ok? - - ! expand slip related parameters from system => family - prm%xi_slip_0 = math_expand(prm%xi_slip_0,prm%Nslip) + ! expand: family => system + prm%xi_slip_0 = math_expand(prm%xi_slip_0, prm%Nslip) prm%xi_slip_sat = math_expand(prm%xi_slip_sat,prm%Nslip) - prm%H_int = math_expand(prm%H_int,prm%Nslip) + prm%H_int = math_expand(prm%H_int, prm%Nslip) + + ! sanity checks + if (prm%gdot0_slip <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_slip ' + if (dEq0(prm%a_slip)) extmsg = trim(extmsg)//'a_slip ' ! ToDo: negative values ok? + if (dEq0(prm%n_slip)) extmsg = trim(extmsg)//'n_slip ' ! ToDo: negative values ok? + if (any(prm%xi_slip_0 <= 0.0_pReal)) extmsg = trim(extmsg)//'xi_slip_0 ' + if (any(prm%xi_slip_sat < prm%xi_slip_0)) extmsg = trim(extmsg)//'xi_slip_sat ' else slipActive allocate(prm%interaction_SlipSlip(0,0)) allocate(prm%xi_slip_0(0)) endif slipActive +!-------------------------------------------------------------------------------------------------- +! twin related parameters prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray) prm%totalNtwin = sum(prm%Ntwin) - if (size(prm%Ntwin) > count(lattice_NtwinSystem(:,p) > 0_pInt)) & - call IO_error(150_pInt,ext_msg='Ntwin') - if (any(lattice_NtwinSystem(1:size(prm%Ntwin),p)-prm%Ntwin < 0_pInt)) & - call IO_error(150_pInt,ext_msg='Ntwin') - twinActive: if (prm%totalNtwin > 0_pInt) then prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),& config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) - ! reading in twin related parameters + prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,& + config_phase(p)%getFloats('interaction_twintwin'), & + structure(1:3)) + prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),& + config_phase(p)%getFloat('c/a')) + prm%xi_twin_0 = config_phase(p)%getFloats('tau0_twin',requiredShape=shape(prm%Ntwin)) - prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,config_phase(p)%getFloats('interaction_twintwin'), & - structure(1:3)) - prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin') - prm%n_twin = config_phase(p)%getFloat('n_twin') - prm%spr = config_phase(p)%getFloat('s_pr') - prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin') + prm%gdot0_twin = config_phase(p)%getFloat('gdot0_twin') + prm%n_twin = config_phase(p)%getFloat('n_twin') + prm%spr = config_phase(p)%getFloat('s_pr') + prm%h0_TwinTwin = config_phase(p)%getFloat('h0_twintwin') - ! sanity checks for twin related parameters - if (any(prm%xi_twin_0 < 0.0_pReal .and. prm%Ntwin > 0_pInt)) & - extmsg = trim(extmsg)//"xi_twin_0 " - if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//"gdot0_twin " - if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//"n_twin " ! ToDo: negative values ok? + ! expand: family => system + prm%xi_twin_0 = math_expand(prm%xi_twin_0, prm%Ntwin) - ! expand slip related parameters from system => family - prm%xi_twin_0 = math_expand(prm%xi_twin_0,prm%Ntwin) + ! sanity checks + if (prm%gdot0_twin <= 0.0_pReal) extmsg = trim(extmsg)//'gdot0_twin ' + if (dEq0(prm%n_twin)) extmsg = trim(extmsg)//'n_twin ' ! ToDo: negative values ok? else twinActive allocate(prm%interaction_TwinTwin(0,0)) allocate(prm%xi_twin_0(0)) endif twinActive - prm%gamma_twin_char = lattice_characteristicShear_twin(prm%Ntwin,structure(1:3),& - config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) - +!-------------------------------------------------------------------------------------------------- +! slip-twin related parameters slipAndTwinActive: if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,& - config_phase(p)%getFloats('interaction_sliptwin'), & - structure(1:3)) + config_phase(p)%getFloats('interaction_sliptwin'), & + structure(1:3)) prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,& - config_phase(p)%getFloats('interaction_twinslip'), & - structure(1:3)) + config_phase(p)%getFloats('interaction_twinslip'), & + structure(1:3)) else slipAndTwinActive - allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension 0 - allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension 0 + allocate(prm%interaction_SlipTwin(prm%totalNslip,prm%TotalNtwin)) ! at least one dimension is 0 + allocate(prm%interaction_TwinSlip(prm%totalNtwin,prm%TotalNslip)) ! at least one dimension is 0 prm%h0_TwinSlip = 0.0_pReal endif slipAndTwinActive - ! optional parameters that should be defined - prm%twinB = config_phase(p)%getFloat('twin_b',defaultVal=1.0_pReal) - prm%twinC = config_phase(p)%getFloat('twin_c',defaultVal=0.0_pReal) - prm%twinD = config_phase(p)%getFloat('twin_d',defaultVal=0.0_pReal) - prm%twinE = config_phase(p)%getFloat('twin_e',defaultVal=0.0_pReal) - - prm%aTolResistance = config_phase(p)%getFloat('atol_resistance',defaultVal=1.0_pReal) - prm%aTolShear = config_phase(p)%getFloat('atol_shear', defaultVal=1.0e-6_pReal) - prm%aTolTwinfrac = config_phase(p)%getFloat('atol_twinfrac', defaultVal=1.0e-6_pReal) - - if (prm%aTolResistance <= 0.0_pReal) extmsg = trim(extmsg)//"aTolresistance " - if (prm%aTolShear <= 0.0_pReal) extmsg = trim(extmsg)//"aTolShear " - if (prm%aTolTwinfrac <= 0.0_pReal) extmsg = trim(extmsg)//"atoltwinfrac " - - if (extmsg /= '') call IO_error(211_pInt,ip=instance,& - ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')') +!-------------------------------------------------------------------------------------------------- +! exit if any parameter is out of range + if (extmsg /= '') & + call IO_error(211_pInt,ext_msg=trim(extmsg)//'('//PLASTICITY_PHENOPOWERLAW_label//')') +!-------------------------------------------------------------------------------------------------- +! output pararameters outputs = config_phase(p)%getStrings('(output)',defaultVal=emptyStringArray) allocate(prm%outputID(0)) do i=1_pInt, size(outputs) @@ -349,8 +348,8 @@ subroutine plastic_phenopowerlaw_init end select if (outputID /= undefined_ID) then - plastic_phenopowerlaw_output(i,instance) = outputs(i) - plastic_phenopowerlaw_sizePostResult(i,instance) = outputSize + plastic_phenopowerlaw_output(i,phase_plasticityInstance(p)) = outputs(i) + plastic_phenopowerlaw_sizePostResult(i,phase_plasticityInstance(p)) = outputSize prm%outputID = [prm%outputID , outputID] endif @@ -361,14 +360,14 @@ subroutine plastic_phenopowerlaw_init NipcMyPhase = count(material_phase == p) ! number of IPCs containing my phase sizeState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip & + size(['tau_twin ','gamma_twin']) * prm%TotalNtwin & - + size(['sum(gamma)','sum(f) ']) + + size(['sum(gamma)','sum(f) ']) ! ToDo: only needed if either twin or slip active! !-------------------------------------------------------------------------------------------------- ! ToDo: This could be done by a function (in constitutive?) sizeDotState = sizeState plasticState(p)%sizeState = sizeState plasticState(p)%sizeDotState = sizeDotState - plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,instance)) + plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,phase_plasticityInstance(p))) plasticState(p)%nSlip = prm%totalNslip plasticState(p)%nTwin = prm%totalNtwin allocate(plasticState(p)%aTolState ( sizeState), source=0.0_pReal) @@ -408,7 +407,7 @@ subroutine plastic_phenopowerlaw_init startIndex = endIndex + 1_pInt endIndex = endIndex + 1_pInt stt%sumGamma => plasticState(p)%state (startIndex,:) - dot%sumGamma => plasticState(p)%dotState(startIndex,:) + dot%sumGamma => plasticState(p)%dotState(startIndex,:) ! ToDo: this is never used plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear startIndex = endIndex + 1_pInt @@ -432,7 +431,7 @@ subroutine plastic_phenopowerlaw_init dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear - plasticState(p)%state0 = plasticState(p)%state + plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally dot%whole => plasticState(p)%dotState end associate @@ -560,7 +559,7 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) !-------------------------------------------------------------------------------------------------- ! system-independent (nonlinear) prefactors to M_Xx (X influenced by x) matrices c_SlipSlip = prm%h0_slipslip * (1.0_pReal + prm%twinC*stt%sumF(of)** prm%twinB) - c_TwinSlip = prm%h0_TwinSlip * stt%sumGamma(of)**prm%twinE + c_TwinSlip = prm%h0_TwinSlip * stt%sumGamma(of)**prm%twinE !ToDo: this makes no sense if totalNslip ==0 c_TwinTwin = prm%h0_TwinTwin * stt%sumF(of)**prm%twinD !-------------------------------------------------------------------------------------------------- @@ -590,25 +589,21 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) enddo call kinetics_twin(prm,stt,of,Mp,dot%gamma_twin(:,of)) - if (stt%sumF(of) < 0.98_pReal) dot%sumF(of) = sum(dot%gamma_twin(:,of)/prm%gamma_twin_char) + if (prm%totalNtwin > 0_pInt) dot%sumF(of) = merge(sum(dot%gamma_twin(:,of)/prm%gamma_twin_char), & + 0.0_pReal, & + stt%sumF(of) < 0.98_pReal) !-------------------------------------------------------------------------------------------------- ! hardening hardeningSlip: do i = 1_pInt, prm%totalNslip - dot%xi_slip(i,of) = & - c_SlipSlip * left_SlipSlip(i) & - * dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) & - + & - dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of)) + dot%xi_slip(i,of) = dot_product(prm%interaction_SlipSlip(i,:),right_SlipSlip*dot%gamma_slip(:,of)) & + * c_SlipSlip * left_SlipSlip(i) & + + dot_product(prm%interaction_SlipTwin(i,:),dot%gamma_twin(:,of)) enddo hardeningSlip hardeningTwin: do i = 1_pInt, prm%totalNtwin - dot%xi_twin(i,of) = & - c_TwinSlip & - * dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) & - + & - c_TwinTwin & - * dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of)) + dot%xi_twin(i,of) = c_TwinSlip * dot_product(prm%interaction_TwinSlip(i,:),dot%gamma_slip(:,of)) & + + c_TwinTwin * dot_product(prm%interaction_TwinTwin(i,:),dot%gamma_twin(:,of)) enddo hardeningTwin end associate From 4ac12d1dc5705739ec307240ff3ccf3ea9992064 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 10:11:26 +0200 Subject: [PATCH 086/143] removed hybridIA --- .gitlab-ci.yml | 7 -- src/IO.f90 | 220 ----------------------------------------------- src/material.f90 | 88 ++++++++----------- 3 files changed, 34 insertions(+), 281 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 7e8de3ee4..bbc0a2086 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -333,13 +333,6 @@ Phenopowerlaw_singleSlip: - master - release -HybridIA: - stage: spectral - script: HybridIA/test.py - except: - - master - - release - TextureComponents: stage: spectral script: TextureComponents/test.py diff --git a/src/IO.f90 b/src/IO.f90 index a08f96439..a76959a44 100644 --- a/src/IO.f90 +++ b/src/IO.f90 @@ -33,7 +33,6 @@ module IO IO_write_jobIntFile, & IO_read_realFile, & IO_read_intFile, & - IO_hybridIA, & IO_isBlank, & IO_getTag, & IO_stringPos, & @@ -583,223 +582,6 @@ logical function IO_abaqus_hasNoPart(fileUnit) 620 end function IO_abaqus_hasNoPart #endif -!-------------------------------------------------------------------------------------------------- -!> @brief hybrid IA sampling of ODFfile -!-------------------------------------------------------------------------------------------------- -function IO_hybridIA(Nast,ODFfileName) - use prec, only: & - tol_math_check - - implicit none - integer(pInt), intent(in) :: Nast !< number of samples? - real(pReal), dimension(3,Nast) :: IO_hybridIA - character(len=*), intent(in) :: ODFfileName !< name of ODF file including total path - -!-------------------------------------------------------------------------------------------------- -! math module is not available - real(pReal), parameter :: PI = 3.141592653589793_pReal - real(pReal), parameter :: INRAD = PI/180.0_pReal - - integer(pInt) :: i,j,bin,NnonZero,Nset,Nreps,reps,phi1,Phi,phi2 - integer(pInt), allocatable, dimension(:) :: chunkPos - integer(pInt), dimension(3) :: steps !< number of steps in phi1, Phi, and phi2 direction - integer(pInt), dimension(4) :: columns !< columns in linearODF file where eulerangles and density are located - integer(pInt), dimension(:), allocatable :: binSet - real(pReal) :: center,sum_dV_V,prob,dg_0,C,lowerC,upperC,rnd - real(pReal), dimension(2,3) :: limits !< starting and end values for eulerangles - real(pReal), dimension(3) :: deltas, & !< angular step size in phi1, Phi, and phi2 direction - eulers !< euler angles when reading from file - real(pReal), dimension(:,:,:), allocatable :: dV_V - character(len=65536) :: line, keyword - integer(pInt) :: headerLength - integer(pInt), parameter :: FILEUNIT = 999_pInt - - IO_hybridIA = 0.0_pReal ! initialize return value for case of error - write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName) - write(6,'(/,a)') ' Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008' - write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2007.09.015' - - -!-------------------------------------------------------------------------------------------------- -! parse header of ODF file - call IO_open_file(FILEUNIT,ODFfileName) - headerLength = 0_pInt - line=IO_read(FILEUNIT) - chunkPos = IO_stringPos(line) - keyword = IO_lc(IO_StringValue(line,chunkPos,2_pInt,.true.)) - if (keyword(1:4) == 'head') then - headerLength = IO_intValue(line,chunkPos,1_pInt) + 1_pInt - else - call IO_error(error_ID=156_pInt, ext_msg='no header found') - endif - -!-------------------------------------------------------------------------------------------------- -! figure out columns containing data - do i = 1_pInt, headerLength-1_pInt - line=IO_read(FILEUNIT) - enddo - columns = 0_pInt - chunkPos = IO_stringPos(line) - do i = 1_pInt, chunkPos(1) - select case ( IO_lc(IO_StringValue(line,chunkPos,i,.true.)) ) - case ('phi1') - columns(1) = i - case ('phi') - columns(2) = i - case ('phi2') - columns(3) = i - case ('intensity') - columns(4) = i - end select - enddo - - if (any(columns<1)) call IO_error(error_ID = 156_pInt, ext_msg='could not find expected header') - -!-------------------------------------------------------------------------------------------------- -! determine limits, number of steps and step size - limits(1,1:3) = 721.0_pReal - limits(2,1:3) = -1.0_pReal - steps = 0_pInt - - line=IO_read(FILEUNIT) - do while (trim(line) /= IO_EOF) - chunkPos = IO_stringPos(line) - eulers=[IO_floatValue(line,chunkPos,columns(1)),& - IO_floatValue(line,chunkPos,columns(2)),& - IO_floatValue(line,chunkPos,columns(3))] - steps = steps + merge(1,0,eulers>limits(2,1:3)) - limits(1,1:3) = min(limits(1,1:3),eulers) - limits(2,1:3) = max(limits(2,1:3),eulers) - line=IO_read(FILEUNIT) - enddo - - deltas = (limits(2,1:3)-limits(1,1:3))/real(steps-1_pInt,pReal) - - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Starting angles / ° = ',limits(1,1:3) - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Ending angles / ° = ',limits(2,1:3) - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Angular steps / ° = ',deltas - - if (all(abs(limits(1,1:3)) < tol_math_check)) then - write(6,'(/,a,/)',advance='no') ' assuming vertex centered data' - center = 0.0_pReal ! no need to shift - if (any(mod(int(limits(2,1:3),pInt),90)==0)) & - call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data repeated at right boundary') - else - write(6,'(/,a,/)',advance='no') ' assuming cell centered data' - center = 0.5_pReal ! shift data by half of a bin - endif - - limits = limits*INRAD - deltas = deltas*INRAD - -!-------------------------------------------------------------------------------------------------- -! read in data - allocate(dV_V(steps(3),steps(2),steps(1)),source=0.0_pReal) - sum_dV_V = 0.0_pReal - dg_0 = deltas(1)*deltas(3)*2.0_pReal*sin(deltas(2)/2.0_pReal) - NnonZero = 0_pInt - - call IO_checkAndRewind(FILEUNIT) ! forward - do i = 1_pInt, headerLength - line=IO_read(FILEUNIT) - enddo - - do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2); do phi2=1_pInt,steps(3) - line=IO_read(FILEUNIT) - chunkPos = IO_stringPos(line) - eulers=[IO_floatValue(line,chunkPos,columns(1)),& ! read in again for consistency check only - IO_floatValue(line,chunkPos,columns(2)),& - IO_floatValue(line,chunkPos,columns(3))]*INRAD - if (any(abs((real([phi1,phi,phi2],pReal) -1.0_pReal + center)*deltas-eulers)>tol_math_check)) & ! check if data is in expected order (phi2 fast) and correct for Fortran starting at 1 - call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order') - - prob = IO_floatValue(line,chunkPos,columns(4)) - if (prob > 0.0_pReal) then - NnonZero = NnonZero+1_pInt - sum_dV_V = sum_dV_V+prob - else - prob = 0.0_pReal - endif - dV_V(phi2,Phi,phi1) = prob*dg_0*sin((real(Phi-1_pInt,pReal)+center)*deltas(2)) - enddo; enddo; enddo - close(FILEUNIT) - dV_V = dV_V/sum_dV_V ! normalize to 1 - -!-------------------------------------------------------------------------------------------------- -! now fix bounds - Nset = max(Nast,NnonZero) ! if less than non-zero voxel count requested, sample at least that much - lowerC = 0.0_pReal - upperC = real(Nset, pReal) - - do while (hybridIA_reps(dV_V,steps,upperC) < Nset) - lowerC = upperC - upperC = upperC*2.0_pReal - enddo - -!-------------------------------------------------------------------------------------------------- -! binary search for best C - do - C = (upperC+lowerC)/2.0_pReal - Nreps = hybridIA_reps(dV_V,steps,C) - if (abs(upperC-lowerC) < upperC*1.0e-14_pReal) then - C = upperC - Nreps = hybridIA_reps(dV_V,steps,C) - exit - elseif (Nreps < Nset) then - lowerC = C - elseif (Nreps > Nset) then - upperC = C - else - exit - endif - enddo - - allocate(binSet(Nreps)) - bin = 0_pInt ! bin counter - i = 1_pInt ! set counter - do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2) ;do phi2=1_pInt,steps(3) - reps = nint(C*dV_V(phi2,Phi,phi1), pInt) - binSet(i:i+reps-1) = bin - bin = bin+1_pInt ! advance bin - i = i+reps ! advance set - enddo; enddo; enddo - - do i=1_pInt,Nast - if (i < Nast) then - call random_number(rnd) - j = nint(rnd*real(Nreps-i,pReal)+real(i,pReal)+0.5_pReal,pInt) - else - j = i - endif - bin = binSet(j) - IO_hybridIA(1,i) = deltas(1)*(real(mod(bin/(steps(3)*steps(2)),steps(1)),pReal)+center) ! phi1 - IO_hybridIA(2,i) = deltas(2)*(real(mod(bin/ steps(3) ,steps(2)),pReal)+center) ! Phi - IO_hybridIA(3,i) = deltas(3)*(real(mod(bin ,steps(3)),pReal)+center) ! phi2 - binSet(j) = binSet(i) - enddo - - contains - !-------------------------------------------------------------------------------------------------- - !> @brief counts hybrid IA repetitions - !-------------------------------------------------------------------------------------------------- - integer(pInt) pure function hybridIA_reps(dV_V,steps,C) - - implicit none - integer(pInt), intent(in), dimension(3) :: steps !< number of bins in Euler space - real(pReal), intent(in), dimension(steps(3),steps(2),steps(1)) :: dV_V !< needs description - real(pReal), intent(in) :: C !< needs description - - integer(pInt) :: phi1,Phi,phi2 - - hybridIA_reps = 0_pInt - do phi1=1_pInt,steps(1); do Phi =1_pInt,steps(2); do phi2=1_pInt,steps(3) - hybridIA_reps = hybridIA_reps+nint(C*dV_V(phi2,Phi,phi1), pInt) - enddo; enddo; enddo - - end function hybridIA_reps - -end function IO_hybridIA - !-------------------------------------------------------------------------------------------------- !> @brief identifies strings without content @@ -1758,7 +1540,6 @@ integer(pInt) function IO_verifyIntValue (string,validChars,myName) validChars, & !< valid characters in string myName !< name of caller function (for debugging) integer(pInt) :: readStatus, invalidWhere - !character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1 IO_verifyIntValue = 0_pInt @@ -1788,7 +1569,6 @@ real(pReal) function IO_verifyFloatValue (string,validChars,myName) myName !< name of caller function (for debugging) integer(pInt) :: readStatus, invalidWhere - !character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1 IO_verifyFloatValue = 0.0_pReal diff --git a/src/material.f90 b/src/material.f90 index d54659acc..7e7932a4f 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -227,10 +227,6 @@ module material microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs phase_localPlasticity !< flags phases with local constitutive law - - character(len=65536), dimension(:), allocatable, private :: & - texture_ODFfile !< name of each ODF file - integer(pInt), private :: & microstructure_maxNconstituents, & !< max number of constituents in any phase texture_maxNgauss, & !< max number of Gauss components in any texture @@ -367,7 +363,6 @@ subroutine material_init() use mesh, only: & mesh_homogenizationAt, & mesh_NipsPerElem, & - mesh_maxNips, & mesh_NcpElems, & FE_geomtype @@ -472,11 +467,11 @@ subroutine material_init() call material_populateGrains - allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt) - allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt) - allocate(mappingHomogenization (2, mesh_maxNips,mesh_NcpElems),source=0_pInt) + allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) + allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) + allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt) - allocate(mappingHomogenizationConst( mesh_maxNips,mesh_NcpElems),source=1_pInt) + allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt) allocate(ConstitutivePosition (size(config_phase)), source=0_pInt) allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt) @@ -936,9 +931,7 @@ subroutine material_parseTexture integer(pInt) :: section, gauss, fiber, j, t, i character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config integer(pInt), dimension(:), allocatable :: chunkPos - character(len=65536) :: tag - allocate(texture_ODFfile(size(config_texture))); texture_ODFfile='' allocate(texture_symmetry(size(config_texture)), source=1_pInt) allocate(texture_Ngauss(size(config_texture)), source=0_pInt) allocate(texture_Nfiber(size(config_texture)), source=0_pInt) @@ -984,9 +977,6 @@ subroutine material_parseTexture if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t) endif - tag='' - texture_ODFfile(t) = config_texture(t)%getString('hybridia',defaultVal=tag) - if (config_texture(t)%keyExists('symmetry')) then select case (config_texture(t)%getString('symmetry')) case('orthotropic') @@ -1072,7 +1062,7 @@ end subroutine material_parseTexture !-------------------------------------------------------------------------------------------------- !> @brief populates the grains !> @details populates the grains by identifying active microstructure/homogenization pairs, -!! calculates the volume of the grains and deals with texture components and hybridIA +!! calculates the volume of the grains and deals with texture components !-------------------------------------------------------------------------------------------------- subroutine material_populateGrains use prec, only: & @@ -1091,7 +1081,6 @@ subroutine material_populateGrains mesh_elemType, & mesh_homogenizationAt, & mesh_microstructureAt, & - mesh_maxNips, & mesh_NcpElems, & mesh_ipVolume, & FE_geomtype @@ -1102,8 +1091,7 @@ subroutine material_populateGrains homogenization_name, & microstructure_name use IO, only: & - IO_error, & - IO_hybridIA + IO_error use debug, only: & debug_level, & debug_material, & @@ -1131,12 +1119,12 @@ subroutine material_populateGrains myDebug = debug_level(debug_material) - allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) - allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt) - allocate(material_homog(mesh_maxNips,mesh_NcpElems), source=0_pInt) + allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal) + allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) + allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_homogenizationAt,source=mesh_homogenizationAt) - allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt) - allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal) + allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) + allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal) allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt) allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt) @@ -1280,39 +1268,31 @@ subroutine material_populateGrains real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry) !-------------------------------------------------------------------------------------------------- -! ...has texture components - if (texture_ODFfile(textureID) == '') then - gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components - do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count - orientationOfGrain(:,grain+constituentGrain+g) = & - math_sampleGaussOri(texture_Gauss(1:3,t,textureID),& - texture_Gauss( 4,t,textureID)) - enddo - constituentGrain = & - constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent - enddo gauss +! has texture components + gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components + do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count + orientationOfGrain(:,grain+constituentGrain+g) = & + math_sampleGaussOri(texture_Gauss(1:3,t,textureID),& + texture_Gauss( 4,t,textureID)) + enddo + constituentGrain = & + constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent + enddo gauss - fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components - do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count - orientationOfGrain(:,grain+constituentGrain+g) = & - math_sampleFiberOri(texture_Fiber(1:2,t,textureID),& - texture_Fiber(3:4,t,textureID),& - texture_Fiber( 5,t,textureID)) - enddo - constituentGrain = & - constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent - enddo fiber + fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components + do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count + orientationOfGrain(:,grain+constituentGrain+g) = & + math_sampleFiberOri(texture_Fiber(1:2,t,textureID),& + texture_Fiber(3:4,t,textureID),& + texture_Fiber( 5,t,textureID)) + enddo + constituentGrain = & + constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent + enddo fiber - random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random - orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri() - enddo random -!-------------------------------------------------------------------------------------------------- -! ...has hybrid IA - else - orientationOfGrain(1:3,grain+1_pInt:grain+myNorientations) = & - IO_hybridIA(myNorientations,texture_ODFfile(textureID)) - if (all(dEq(orientationOfGrain(1:3,grain+1_pInt),-1.0_pReal))) call IO_error(156_pInt) - endif + random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random + orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri() + enddo random !-------------------------------------------------------------------------------------------------- ! ...texture transformation From 943fa764c07c265653021a2f55f7a28405d4bd09 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 11:15:07 +0200 Subject: [PATCH 087/143] not needed --- src/material.f90 | 5 ----- 1 file changed, 5 deletions(-) diff --git a/src/material.f90 b/src/material.f90 index 7e7932a4f..c4ed54ddb 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -1409,12 +1409,7 @@ subroutine material_populateGrains enddo microstructureLoop enddo homogenizationLoop - deallocate(volumeOfGrain) - deallocate(phaseOfGrain) - deallocate(textureOfGrain) - deallocate(orientationOfGrain) deallocate(texture_transformation) - deallocate(Nelems) deallocate(elemsOfHomogMicro) call config_deallocate('material.config/microstructure') From 1839228add4d00a3d5aa7c39a73f5afe6d09469a Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 12:27:42 +0200 Subject: [PATCH 088/143] sorting new mappings. Needs more work (don't forget https://xkcd.com/927) --- src/material.f90 | 82 ++++++++++++++++++++++++++++-------------------- 1 file changed, 48 insertions(+), 34 deletions(-) diff --git a/src/material.f90 b/src/material.f90 index c4ed54ddb..1dc5b7a7a 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -169,18 +169,13 @@ module material homogenization_maxNgrains !< max number of grains in any USED homogenization integer(pInt), dimension(:), allocatable, public, protected :: & - material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt) phase_Nsources, & !< number of source mechanisms active in each phase phase_Nkinematics, & !< number of kinematic mechanisms active in each phase phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase phase_Noutput, & !< number of '(output)' items per phase phase_elasticityInstance, & !< instance of particular elasticity of each phase - phase_plasticityInstance !< instance of particular plasticity of each phase - - integer(pInt), dimension(:), allocatable, public, protected :: & - crystallite_Noutput !< number of '(output)' items per crystallite setting - - integer(pInt), dimension(:), allocatable, public, protected :: & + phase_plasticityInstance, & !< instance of particular plasticity of each phase + crystallite_Noutput, & !< number of '(output)' items per crystallite setting homogenization_Ngrains, & !< number of grains in each homogenization homogenization_Noutput, & !< number of '(output)' items per homogenization homogenization_typeInstance, & !< instance of particular type of each homogenization @@ -189,7 +184,7 @@ module material vacancyflux_typeInstance, & !< instance of particular type of each vacancy flux porosity_typeInstance, & !< instance of particular type of each porosity model hydrogenflux_typeInstance, & !< instance of particular type of each hydrogen flux - microstructure_crystallite !< crystallite setting ID of each microstructure + microstructure_crystallite !< crystallite setting ID of each microstructure ! DEPRECATED !!!! real(pReal), dimension(:), allocatable, public, protected :: & thermal_initialT, & !< initial temperature per each homogenization @@ -198,12 +193,27 @@ module material porosity_initialPhi, & !< initial posority per each homogenization hydrogenflux_initialCh !< initial hydrogen concentration per each homogenization +! NEW MAPPINGS + integer(pInt), dimension(:), allocatable, public, protected :: & + material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt) + material_homogenizationMemberAt, & !< position of the element within its homogenization instance + material_aggregateAt, & !< aggregate ID of each element FUTURE USE FOR OUTPUT + material_aggregatMemberAt !< position of the element within its aggregate instance FUTURE USE FOR OUTPUT + integer(pInt), dimension(:,:), allocatable, public, protected :: & + material_phaseAt, & !< phase ID of each element + material_phaseMemberAt, & !< position of the element within its phase instance + material_crystalliteAt, & !< crystallite ID of each element CURRENTLY NOT PER CONSTITUTENT + material_crystalliteMemberAt !< position of the element within its crystallite instance CURRENTLY NOT PER CONSTITUTENT +! END NEW MAPPINGS + +! DEPRECATED: use material_phaseAt integer(pInt), dimension(:,:,:), allocatable, public :: & material_phase !< phase (index) of each grain,IP,element -! BEGIN DEPRECATED: use material_homogenizationAt +! DEPRECATED: use material_homogenizationAt integer(pInt), dimension(:,:), allocatable, public :: & material_homog !< homogenization (index) of each IP,element ! END DEPRECATED + type(tPlasticState), allocatable, dimension(:), public :: & plasticState type(tSourceState), allocatable, dimension(:), public :: & @@ -254,11 +264,13 @@ module material logical, dimension(:), allocatable, private :: & homogenization_active +! BEGIN DEPRECATED integer(pInt), dimension(:,:,:), allocatable, public :: phaseAt !< phase ID of every material point (ipc,ip,el) integer(pInt), dimension(:,:,:), allocatable, public :: phasememberAt !< memberID of given phase at every material point (ipc,ip,el) - integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingCrystallite + integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field - integer(pInt), dimension(:,:), allocatable, public, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field + integer(pInt), dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field +! END DEPRECATED type(tHomogMapping), allocatable, dimension(:), public :: & thermalMapping, & !< mapping for thermal state/fields @@ -372,11 +384,11 @@ subroutine material_init() integer(pInt) :: & g, & !< grain number i, & !< integration point number - e, & !< element number - phase - integer(pInt), dimension(:), allocatable :: ConstitutivePosition - integer(pInt), dimension(:), allocatable :: CrystallitePosition - integer(pInt), dimension(:), allocatable :: HomogenizationPosition + e !< element number + integer(pInt), dimension(:), allocatable :: & + PhaseCounter, & + CrystalliteCounter, & + HomogenizationCounter myDebug = debug_level(debug_material) @@ -467,30 +479,33 @@ subroutine material_init() call material_populateGrains +! BEGIN DEPRECATED allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) - allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt) allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt) +! END DEPRECATED - allocate(ConstitutivePosition (size(config_phase)), source=0_pInt) - allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt) - allocate(CrystallitePosition (size(config_phase)), source=0_pInt) + allocate(PhaseCounter (size(config_phase)), source=0_pInt) + allocate(HomogenizationCounter(size(config_homogenization)),source=0_pInt) - ElemLoop:do e = 1_pInt,mesh_NcpElems +! BEGIN DEPRECATED + do e = 1_pInt,mesh_NcpElems myHomog = mesh_homogenizationAt(e) - IPloop:do i = 1_pInt, mesh_NipsPerElem - HomogenizationPosition(myHomog) = HomogenizationPosition(myHomog) + 1_pInt - mappingHomogenization(1:2,i,e) = [HomogenizationPosition(myHomog),myHomog] - GrainLoop:do g = 1_pInt,homogenization_Ngrains(myHomog) - phase = material_phase(g,i,e) - ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt ! not distinguishing between instances of same phase - phaseAt(g,i,e) = phase - phasememberAt(g,i,e) = ConstitutivePosition(phase) - enddo GrainLoop - enddo IPloop - enddo ElemLoop + do i = 1_pInt, mesh_NipsPerElem + HomogenizationCounter(myHomog) = HomogenizationCounter(myHomog) + 1_pInt + mappingHomogenization(1:2,i,e) = [HomogenizationCounter(myHomog),myHomog] + do g = 1_pInt,homogenization_Ngrains(myHomog) + myPhase = material_phase(g,i,e) + PhaseCounter(myPhase) = PhaseCounter(myPhase)+1_pInt ! not distinguishing between instances of same phase + phaseAt(g,i,e) = myPhase + phasememberAt(g,i,e) = PhaseCounter(myPhase) + enddo + enddo + enddo +! END DEPRECATED +! REMOVE !!!!! ! hack needed to initialize field values used during constitutive and crystallite initializations do myHomog = 1,size(config_homogenization) thermalMapping (myHomog)%p => mappingHomogenizationConst @@ -507,7 +522,7 @@ subroutine material_init() allocate(vacancyConcRate (myHomog)%p(1), source=0.0_pReal) allocate(hydrogenConcRate(myHomog)%p(1), source=0.0_pReal) enddo - + end subroutine material_init @@ -1122,7 +1137,6 @@ subroutine material_populateGrains allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal) allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) - allocate(material_homogenizationAt,source=mesh_homogenizationAt) allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal) From 6599aa487c755ca09f4863e82aa4b686b0352b74 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 15:53:24 +0200 Subject: [PATCH 089/143] kinetics_slip does not seem to be the problem --- src/plastic_phenopowerlaw.f90 | 86 ++++++++--------------------------- 1 file changed, 20 insertions(+), 66 deletions(-) diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index 3554a3aab..e37de8399 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -444,10 +444,7 @@ end subroutine plastic_phenopowerlaw_init !> @brief calculates plastic velocity gradient and its tangent !-------------------------------------------------------------------------------------------------- subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) - use prec, only: & - dNeq0 - use math, only: & - math_mul33xx33 + implicit none real(pReal), dimension(3,3), intent(out) :: & Lp !< plastic velocity gradient @@ -462,10 +459,9 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) integer(pInt) :: & i,k,l,m,n - real(pReal) :: & - tau, & - gdot_slip, & - dgdot_dtau_slip + real(pReal), dimension(param(instance)%totalNslip) :: & + dgdot_dtauslip_pos,dgdot_dtauslip_neg, & + gdot_slip_pos,gdot_slip_neg real(pReal), dimension(param(instance)%totalNtwin) :: & gdot_twin,dgdot_dtautwin @@ -477,42 +473,14 @@ subroutine plastic_phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,instance,of) Lp = 0.0_pReal dLp_dMp = 0.0_pReal - do i = 1_pInt, prm%totalNslip - - tau = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) - if (tau > 1.0e-8_pReal) then - - gdot_slip = prm%gdot0_slip & - * sign(abs(tau/stt%xi_slip(i,of))**prm%n_slip, tau) - if (size(prm%nonSchmidCoeff) > 0_pInt) gdot_slip = 0.5 * gdot_slip - - dgdot_dtau_slip = gdot_slip*prm%n_slip/tau - - Lp = Lp + (1.0_pReal-stt%sumF(of))*(gdot_slip)*prm%Schmid_slip(1:3,1:3,i) - - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgdot_dtau_slip * prm%Schmid_slip(k,l,i) * prm%nonSchmid_pos(m,n,i) - endif - - if (size(prm%nonSchmidCoeff) > 0_pInt) then - - tau = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)) - if (tau > 1.0e-8_pReal) then - - gdot_slip = 0.5_pReal * prm%gdot0_slip & - * sign(abs(tau/stt%xi_slip(i,of))**prm%n_slip, tau) - - dgdot_dtau_slip = gdot_slip*prm%n_slip/tau - - Lp = Lp + (1.0_pReal-stt%sumF(of))*(gdot_slip)*prm%Schmid_slip(1:3,1:3,i) - - forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & - dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & - + dgdot_dtau_slip * prm%Schmid_slip(k,l,i) * prm%nonSchmid_neg(m,n,i) - endif - endif - enddo + call kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg) + slipSystems: do i = 1_pInt, prm%totalNslip + Lp = Lp + (1.0_pReal-stt%sumF(of))*(gdot_slip_pos(i)+gdot_slip_neg(i))*prm%Schmid_slip(1:3,1:3,i) + forall (k=1_pInt:3_pInt,l=1_pInt:3_pInt,m=1_pInt:3_pInt,n=1_pInt:3_pInt) & + dLp_dMp(k,l,m,n) = dLp_dMp(k,l,m,n) & + + dgdot_dtauslip_pos(i) * prm%Schmid_slip(k,l,i) * prm%nonSchmid_pos(m,n,i) & + + dgdot_dtauslip_neg(i) * prm%Schmid_slip(k,l,i) * prm%nonSchmid_neg(m,n,i) + enddo slipSystems call kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtautwin) twinSystems: do i = 1_pInt, prm%totalNtwin @@ -531,8 +499,7 @@ end subroutine plastic_phenopowerlaw_LpAndItsTangent !> @brief calculates the rate of change of microstructure !-------------------------------------------------------------------------------------------------- subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) - use math, only: & - math_mul33xx33 + implicit none real(pReal), dimension(3,3), intent(in) :: & Mp !< Mandel stress @@ -544,10 +511,11 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) i real(pReal) :: & c_SlipSlip,c_TwinSlip,c_TwinTwin, & - xi_slip_sat_offset,tau + xi_slip_sat_offset real(pReal), dimension(param(instance)%totalNslip) :: & - left_SlipSlip,right_SlipSlip + left_SlipSlip,right_SlipSlip, & + gdot_slip_pos,gdot_slip_neg type(tParameters) :: prm type(tPhenopowerlawState) :: dot,stt @@ -559,7 +527,7 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) !-------------------------------------------------------------------------------------------------- ! system-independent (nonlinear) prefactors to M_Xx (X influenced by x) matrices c_SlipSlip = prm%h0_slipslip * (1.0_pReal + prm%twinC*stt%sumF(of)** prm%twinB) - c_TwinSlip = prm%h0_TwinSlip * stt%sumGamma(of)**prm%twinE !ToDo: this makes no sense if totalNslip ==0 + c_TwinSlip = prm%h0_TwinSlip * stt%sumGamma(of)**prm%twinE c_TwinTwin = prm%h0_TwinTwin * stt%sumF(of)**prm%twinD !-------------------------------------------------------------------------------------------------- @@ -571,23 +539,9 @@ subroutine plastic_phenopowerlaw_dotState(Mp,instance,of) !-------------------------------------------------------------------------------------------------- ! shear rates - do i = 1_pInt, prm%totalNslip - tau = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) - if (tau > 1.0e-8_pReal) then - dot%gamma_slip(i,of) = abs(prm%gdot0_slip & - * sign(abs(tau/stt%xi_slip(i,of))**prm%n_slip, tau)) - if (size(prm%nonSchmidCoeff) > 0_pInt) dot%gamma_slip(i,of) = 0.5 * dot%gamma_slip(i,of) - endif - - if (size(prm%nonSchmidCoeff) > 0_pInt) then - - tau = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)) - if (tau > 1.0e-8_pReal) & - dot%gamma_slip(i,of) = abs(prm%gdot0_slip *0.5_pReal & - * sign(abs(tau/stt%xi_slip(i,of))**prm%n_slip, tau)) - endif - enddo - + call kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg) + dot%gamma_slip(:,of) = abs(gdot_slip_pos+gdot_slip_neg) + dot%sumGamma(of) = sum(dot%gamma_slip(:,of)) call kinetics_twin(prm,stt,of,Mp,dot%gamma_twin(:,of)) if (prm%totalNtwin > 0_pInt) dot%sumF(of) = merge(sum(dot%gamma_twin(:,of)/prm%gamma_twin_char), & 0.0_pReal, & From 767ca0edd47a77a6065fff42de403d30574a4aa4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 20:16:30 +0200 Subject: [PATCH 090/143] avoid code repetition --- src/material.f90 | 50 +++++++++++++++++++++++++++++++++++ src/plastic_phenopowerlaw.f90 | 26 +++--------------- 2 files changed, 53 insertions(+), 23 deletions(-) diff --git a/src/material.f90 b/src/material.f90 index d54659acc..f5198972e 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -283,6 +283,7 @@ module material public :: & material_init, & + material_allocatePlasticState ,& ELASTICITY_hooke_ID ,& PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & @@ -1069,6 +1070,55 @@ subroutine material_parseTexture end subroutine material_parseTexture +!-------------------------------------------------------------------------------------------------- +!> @brief allocates the plastic state of a phase +!-------------------------------------------------------------------------------------------------- +subroutine material_allocatePlasticState(phase,NofMyPhase,sizeState,sizeDotState,sizeDeltaState,& + Nslip,Ntwin,Ntrans) + use numerics, only: & + numerics_integrator2 => numerics_integrator ! compatibility hack + + implicit none + integer(pInt), intent(in) :: & + phase, & + NofMyPhase, & + sizeState, & + sizeDotState, & + sizeDeltaState, & + Nslip, & + Ntwin, & + Ntrans + integer(pInt) :: numerics_integrator ! compatibility hack + numerics_integrator = numerics_integrator2(1) ! compatibility hack + + plasticState(phase)%sizeState = sizeState + plasticState(phase)%sizeDotState = sizeDotState + plasticState(phase)%sizeDeltaState = sizeDeltaState + plasticState(phase)%Nslip = Nslip + plasticState(phase)%Ntwin = Ntwin + plasticState(phase)%Ntrans= Ntrans + + allocate(plasticState(phase)%aTolState (sizeState), source=0.0_pReal) + allocate(plasticState(phase)%state0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%state (sizeState,NofMyPhase), source=0.0_pReal) + + allocate(plasticState(phase)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + if (numerics_integrator == 1_pInt) then + allocate(plasticState(phase)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(phase)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) + endif + if (numerics_integrator == 4_pInt) & + allocate(plasticState(phase)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + if (numerics_integrator == 5_pInt) & + allocate(plasticState(phase)%RKCK45dotState (6,sizeDotState,NofMyPhase), source=0.0_pReal) + + allocate(plasticState(phase)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) + +end subroutine material_allocatePlasticState + + !-------------------------------------------------------------------------------------------------- !> @brief populates the grains !> @details populates the grains by identifying active microstructure/homogenization pairs, diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index e37de8399..bfc12147a 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -361,31 +361,11 @@ subroutine plastic_phenopowerlaw_init sizeState = size(['tau_slip ','gamma_slip']) * prm%TotalNslip & + size(['tau_twin ','gamma_twin']) * prm%TotalNtwin & + size(['sum(gamma)','sum(f) ']) ! ToDo: only needed if either twin or slip active! - -!-------------------------------------------------------------------------------------------------- -! ToDo: This could be done by a function (in constitutive?) sizeDotState = sizeState - plasticState(p)%sizeState = sizeState - plasticState(p)%sizeDotState = sizeDotState - plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,phase_plasticityInstance(p))) - plasticState(p)%nSlip = prm%totalNslip - plasticState(p)%nTwin = prm%totalNtwin - allocate(plasticState(p)%aTolState ( sizeState), source=0.0_pReal) - allocate(plasticState(p)%state0 ( sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%partionedState0 ( sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%subState0 ( sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%state ( sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%deltaState (0_pInt,NipcMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 1_pInt)) then - allocate(plasticState(p)%previousDotState (sizeDotState,NipcMyPhase),source=0.0_pReal) - allocate(plasticState(p)%previousDotState2(sizeDotState,NipcMyPhase),source=0.0_pReal) - endif - if (any(numerics_integrator == 4_pInt)) & - allocate(plasticState(p)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 5_pInt)) & - allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NipcMyPhase), source=0.0_pReal) + call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & + prm%totalNslip,prm%totalNtwin,0_pInt) + plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,instance)) !-------------------------------------------------------------------------------------------------- From d662507eb81a571180f9c345e98213928566382c Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 21:41:32 +0200 Subject: [PATCH 091/143] will not work without populate grains --- .gitlab-ci.yml | 8 - examples/AbaqusStandard/Job_sx-px.inp | 2832 ----------------- examples/AbaqusStandard/SX_PX_compression.cae | Bin 114688 -> 0 bytes examples/AbaqusStandard/SX_PX_compression.jnl | 23 - examples/AbaqusStandard/material.config | 93 - examples/AbaqusStandard/numerics.config | 1 - 6 files changed, 2957 deletions(-) delete mode 100644 examples/AbaqusStandard/Job_sx-px.inp delete mode 100644 examples/AbaqusStandard/SX_PX_compression.cae delete mode 100644 examples/AbaqusStandard/SX_PX_compression.jnl delete mode 100644 examples/AbaqusStandard/material.config delete mode 100644 examples/AbaqusStandard/numerics.config diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index bbc0a2086..62cddcba6 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -405,14 +405,6 @@ SpectralExample: only: - development -AbaqusExample: - stage: example - script: - - module load $IntelCompiler16_4 $Abaqus - - Abaqus_example/test.py - only: - - development - 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1481, 1403, 1404, 1427, 1416 -1104, 1465, 1478, 1470, 1471, 1400, 1413, 1405, 1406 -1105, 1479, 1475, 1494, 1485, 1414, 1410, 1429, 1420 -1106, 1470, 1478, 1492, 1469, 1405, 1413, 1427, 1404 -1107, 1484, 1485, 1494, 1483, 1419, 1420, 1429, 1418 -1108, 1480, 1481, 1485, 1484, 1415, 1416, 1420, 1419 -1109, 1487, 1486, 1462, 1472, 1422, 1421, 1397, 1407 -1110, 1437, 1436, 1486, 1487, 1372, 1371, 1421, 1422 -1111, 1488, 1489, 1445, 1444, 1423, 1424, 1380, 1379 -1112, 1490, 1447, 1446, 1491, 1425, 1382, 1381, 1426 -1113, 1495, 1482, 1476, 1477, 1430, 1417, 1411, 1412 -1114, 1512, 1555, 1518, 1513, 1447, 1490, 1453, 1448 -1115, 1510, 1554, 1556, 1511, 1445, 1489, 1491, 1446 -1116, 1520, 1519, 1553, 1521, 1455, 1454, 1488, 1456 -1117, 1531, 1530, 1515, 1514, 1466, 1465, 1450, 1449 -1118, 1535, 1534, 1496, 1517, 1470, 1469, 1431, 1452 -1119, 1527, 1541, 1558, 1537, 1462, 1476, 1493, 1472 -1120, 1537, 1525, 1526, 1552, 1472, 1460, 1461, 1487 -1121, 1558, 1538, 1523, 1524, 1493, 1473, 1458, 1459 -1122, 1549, 1560, 1542, 1545, 1484, 1495, 1477, 1480 -1123, 1558, 1541, 1547, 1538, 1493, 1476, 1482, 1473 -1124, 1521, 1522, 1539, 1520, 1456, 1457, 1474, 1455 -1125, 1518, 1531, 1514, 1513, 1453, 1466, 1449, 1448 -1126, 1524, 1525, 1537, 1558, 1459, 1460, 1472, 1493 -1127, 1528, 1541, 1527, 1551, 1463, 1476, 1462, 1486 -1128, 1528, 1529, 1542, 1541, 1463, 1464, 1477, 1476 -1129, 1518, 1544, 1530, 1531, 1453, 1479, 1465, 1466 -1130, 1519, 1540, 1555, 1556, 1454, 1475, 1490, 1491 -1131, 1501, 1500, 1528, 1551, 1436, 1435, 1463, 1486 -1132, 1509, 1508, 1521, 1553, 1444, 1443, 1456, 1488 -1133, 1554, 1553, 1519, 1556, 1489, 1488, 1454, 1491 -1134, 1508, 1507, 1522, 1521, 1443, 1442, 1457, 1456 -1135, 1507, 1506, 1523, 1522, 1442, 1441, 1458, 1457 -1136, 1506, 1505, 1524, 1523, 1441, 1440, 1459, 1458 -1137, 1505, 1504, 1525, 1524, 1440, 1439, 1460, 1459 -1138, 1504, 1503, 1526, 1525, 1439, 1438, 1461, 1460 -1139, 1503, 1502, 1552, 1526, 1438, 1437, 1487, 1461 -1140, 1529, 1528, 1500, 1499, 1464, 1463, 1435, 1434 -1141, 1499, 1498, 1532, 1529, 1434, 1433, 1467, 1464 -1142, 1498, 1497, 1533, 1532, 1433, 1432, 1468, 1467 -1143, 1536, 1516, 1515, 1530, 1471, 1451, 1450, 1465 -1144, 1530, 1544, 1550, 1543, 1465, 1479, 1485, 1478 -1145, 1548, 1539, 1538, 1547, 1483, 1474, 1473, 1482 -1146, 1497, 1496, 1534, 1533, 1432, 1431, 1469, 1468 -1147, 1546, 1557, 1543, 1550, 1481, 1492, 1478, 1485 -1148, 1547, 1560, 1549, 1548, 1482, 1495, 1484, 1483 -1149, 1536, 1535, 1517, 1516, 1471, 1470, 1452, 1451 -1150, 1519, 1520, 1559, 1540, 1454, 1455, 1494, 1475 -1151, 1538, 1539, 1522, 1523, 1473, 1474, 1457, 1458 -1152, 1559, 1520, 1539, 1548, 1494, 1455, 1474, 1483 -1153, 1540, 1544, 1518, 1555, 1475, 1479, 1453, 1490 -1154, 1542, 1529, 1532, 1545, 1477, 1464, 1467, 1480 -1155, 1545, 1532, 1533, 1546, 1480, 1467, 1468, 1481 -1156, 1533, 1534, 1557, 1546, 1468, 1469, 1492, 1481 -1157, 1530, 1543, 1535, 1536, 1465, 1478, 1470, 1471 -1158, 1544, 1540, 1559, 1550, 1479, 1475, 1494, 1485 -1159, 1535, 1543, 1557, 1534, 1470, 1478, 1492, 1469 -1160, 1549, 1550, 1559, 1548, 1484, 1485, 1494, 1483 -1161, 1545, 1546, 1550, 1549, 1480, 1481, 1485, 1484 -1162, 1552, 1551, 1527, 1537, 1487, 1486, 1462, 1472 -1163, 1502, 1501, 1551, 1552, 1437, 1436, 1486, 1487 -1164, 1553, 1554, 1510, 1509, 1488, 1489, 1445, 1444 -1165, 1555, 1512, 1511, 1556, 1490, 1447, 1446, 1491 -1166, 1560, 1547, 1541, 1542, 1495, 1482, 1476, 1477 -*Nset, nset=Part-px__PickedSet4, generate - 781, 1560, 1 -*Elset, elset=Part-px__PickedSet4, generate - 584, 1166, 1 -** Section: Section-px -*Solid Section, elset=Part-px__PickedSet4, material=Material-px -, -*System -*Nset, nset=_PickedSet12, generate - 716, 780, 1 -*Nset, nset=_PickedSet12, generate -1496, 1560, 1 -*Elset, elset=_PickedSet12, generate - 531, 583, 1 -*Elset, elset=_PickedSet12, generate -1114, 1166, 1 -*Nset, nset=_PickedSet13, generate - 1, 65, 1 -*Nset, nset=_PickedSet13, generate -781, 845, 1 -*Elset, elset=_PickedSet13, generate - 1, 53, 1 -*Elset, elset=_PickedSet13, generate -584, 636, 1 -** -** MATERIALS -** -*Material, name=Material-px -*Depvar - 49, -*User Material, constants=2, unsymm -2.,2. -*Material, name=Material-sx -*Depvar - 49, -*User Material, constants=2, unsymm -1.,1. -** -** BOUNDARY CONDITIONS -** -** Name: unten Type: Displacement/Rotation -*Boundary -_PickedSet13, 1, 1 -_PickedSet13, 2, 2 -_PickedSet13, 3, 3 -_PickedSet13, 4, 4 -_PickedSet13, 5, 5 -_PickedSet13, 6, 6 -** ---------------------------------------------------------------- -** -** STEP: Step-1 -** -*Step, name=Step-1, nlgeom=YES, inc=10000 -drücken -*Static -0.01, 7., 0.0001, 1. -** -** BOUNDARY CONDITIONS -** -** Name: oben Type: Displacement/Rotation -*Boundary -_PickedSet12, 1, 1 -_PickedSet12, 2, 2 -_PickedSet12, 3, 3, -7.5 -_PickedSet12, 4, 4 -_PickedSet12, 5, 5 -_PickedSet12, 6, 6 -** -** OUTPUT REQUESTS -** -*Restart, write, frequency=0 -** -** FIELD OUTPUT: F-Output-1 -** -*Output, field, variable=PRESELECT -** -** HISTORY OUTPUT: H-Output-1 -** -*Output, history, variable=PRESELECT -*End Step diff --git a/examples/AbaqusStandard/SX_PX_compression.cae b/examples/AbaqusStandard/SX_PX_compression.cae deleted file mode 100644 index fed4472b3e088a975494c6e1261bae5e13c800ac..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 114688 zcmeFY=UWrc7w`=tAflk46lnqqDpl}Hho}fBRY9c_iU=rGkWL~ZpwgwOlt>3bx^xJ= zL+GK0o=`$4fsncnzvuo3?w9uq_nNaibDf#V&S!RN&OCVd?77JUSy_5II=U;Ta_&^} z+8)^bFHA>A|Nn;{z5Ab!j*jtE{-?iiD(t7ic`96|!gnhFu73pn5%@>oAAx@a{t@^` z;2(j11pX2DN8lfUe+2#!_Qb)D!f&2WyeR5UvFI$ke7Q)=der_peLGP2YYw$){@dB4 zxaFj*^y{@t!XjHTjfd*;PENbcjmJcrKd&`l)WILbOnL9u8}mPAe$;zwI;H;yam`Bh zTqt29X!>M`on@SriB_ z)s-$J%DiIOM>(J@uCMe$vmU>80}EaDS_6pOH~e4;8&jI0j?HfNVdu!bov}A|gpRE` z6W~YA?Z-2hJ7@NQhu<}cw8~Fwi;5K>V_xm=W&(X7t{bMfOjK0I?V(kJowMyjAzXM{KlNjeW`W|R@VP{=lU6#GxRBg>>Kb~A1IS*D}`+4dF)(SO%jqBofPjv!o z(&B@f2zU^N=od$^Iqb##clsdo;@-zm7WaB_7vm_jIZ-%p9RF5%tn(H;MNe%_@UV5! 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zAB`qG8xs;f6O)~hJ+?OeqelARRS!#+c_ScHasvjKlbivOF+Y;;L?!Lkg({>|Ckxx8An8sc>l=cY-U92y2xJ zeEb&<kqtUV>e|sE17Aw7;cIRelU3N=?OMq*upSB;rWO?XYq^RDs zvwfW3b=m)^(vcrJsB}CWbx&Mh_V?zM%7HzFAJjRn+J}0?=fWN3eI1V3)yCq;OZM -#-------------------# - -[dummy] -mech none - -[poly] -mech isostrain -Nconstituents 10 - - - -#-------------------# - -#-------------------# - - -[Aluminum_001] -crystallite 1 -(constituent) phase 1 texture 1 fraction 1.0 - -[Aluminum_10] -crystallite 1 -(constituent) phase 1 texture 2 fraction 1.0 - -#-------------------# - -#-------------------# - -[orientation] -(output) eulerangles -(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4) - -#-------------------# - -#-------------------# - - -[Aluminum_phenopowerlaw] -# slip only -elasticity hooke -plasticity phenopowerlaw - -(output) resistance_slip -(output) shearrate_slip -(output) resolvedstress_slip -(output) totalshear -(output) resistance_twin -(output) shearrate_twin -(output) resolvedstress_twin -(output) totalvolfrac - -lattice_structure fcc -Nslip 12 -Ntwin 0 - -c11 106.75e9 -c12 60.41e9 -c44 28.34e9 - -gdot0_slip 0.001 -n_slip 20 -tau0_slip 31e6 # per family -tausat_slip 63e6 # per family -a_slip 2.25 -gdot0_twin 0.001 -n_twin 20 -tau0_twin 31e6 # per family -s_pr 0 # push-up factor for slip saturation due to twinning -twin_b 0 -twin_c 0 -twin_d 0 -twin_e 0 -h0_slipslip 75e6 -h0_sliptwin 0 -h0_twinslip 0 -h0_twintwin 0 -interaction_slipslip 1 1 1.4 1.4 1.4 1.4 -interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -atol_resistance 1 - - -#-------------------# - -#-------------------# - -[001] -(gauss) phi1 0.000 Phi 45.000 phi2 0.000 scatter 0.000 fraction 1.000 - -[random] diff --git a/examples/AbaqusStandard/numerics.config b/examples/AbaqusStandard/numerics.config deleted file mode 100644 index 47091bf7f..000000000 --- a/examples/AbaqusStandard/numerics.config +++ /dev/null @@ -1 +0,0 @@ -fixed_seed 1697667030 From 57ca93c3c9c5e961e5c533cd4e270508ea5be5b4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 15 Oct 2018 05:28:52 +0200 Subject: [PATCH 092/143] added missing allocation --- src/material.f90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/material.f90 b/src/material.f90 index 1dc5b7a7a..5538fab3e 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -486,6 +486,7 @@ subroutine material_init() allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt) ! END DEPRECATED + allocate(material_homogenizationAt,source=mesh_homogenizationAt) allocate(PhaseCounter (size(config_phase)), source=0_pInt) allocate(HomogenizationCounter(size(config_homogenization)),source=0_pInt) From ad1a64c338643c070d3a63a9e936bc18d021e335 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 15 Oct 2018 06:01:38 +0200 Subject: [PATCH 093/143] rename was missing --- src/plastic_phenopowerlaw.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index bfc12147a..d3bd509ef 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -365,7 +365,7 @@ subroutine plastic_phenopowerlaw_init call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & prm%totalNslip,prm%totalNtwin,0_pInt) - plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,instance)) + plasticState(p)%sizePostResults = sum(plastic_phenopowerlaw_sizePostResult(:,phase_plasticityInstance(p))) !-------------------------------------------------------------------------------------------------- From be8d7e19feb90a35fbfd2b3a81d8a82b2cd1d89d Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 15 Oct 2018 22:38:34 +0200 Subject: [PATCH 094/143] missing use statement caused compilation error --- src/material.f90 | 2 +- src/plastic_phenopowerlaw.f90 | 3 +-- 2 files changed, 2 insertions(+), 3 deletions(-) diff --git a/src/material.f90 b/src/material.f90 index f5198972e..fc27b0cf4 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -283,7 +283,7 @@ module material public :: & material_init, & - material_allocatePlasticState ,& + material_allocatePlasticState, & ELASTICITY_hooke_ID ,& PLASTICITY_none_ID, & PLASTICITY_isotropic_ID, & diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index d3bd509ef..eba2f0dc4 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -131,6 +131,7 @@ subroutine plastic_phenopowerlaw_init phase_plasticity, & phase_plasticityInstance, & phase_Noutput, & + material_allocatePlasticState, & PLASTICITY_PHENOPOWERLAW_LABEL, & PLASTICITY_PHENOPOWERLAW_ID, & material_phase, & @@ -139,8 +140,6 @@ subroutine plastic_phenopowerlaw_init MATERIAL_partPhase, & config_phase use lattice - use numerics,only: & - numerics_integrator implicit none integer(pInt) :: & From d06c8f169ca7a7838bbea57ff7b8a5551a5ae759 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 16 Oct 2018 23:33:35 +0200 Subject: [PATCH 095/143] that seems to be the correct way --- CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index ee376ef02..f742034e2 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -280,7 +280,7 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel") # ... for uninitialized variables. set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv") # ... initializes stack local variables to an unusual value to aid error detection - set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all0") + set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0") # ... capture all floating-point exceptions, sets -ftz automatically set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn") From af635fefbe45c56bfe1218dbd5f558aa8fed1e3b Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 16 Oct 2018 23:33:58 +0200 Subject: [PATCH 096/143] don't overload the test workstation --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index 032ae29de..bd873edb8 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 032ae29de57cc7cc52d429e574b9392e48cc9fcd +Subproject commit bd873edb8e08957ed546c7bd683a6456382190b0 From 7ac96bd63066ede844fdf21d9ccef77b545ede25 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 16 Oct 2018 08:51:38 +0200 Subject: [PATCH 097/143] polishing --- src/plastic_phenopowerlaw.f90 | 57 +++++++++++++++++++++-------------- 1 file changed, 34 insertions(+), 23 deletions(-) diff --git a/src/plastic_phenopowerlaw.f90 b/src/plastic_phenopowerlaw.f90 index eba2f0dc4..57d48d109 100644 --- a/src/plastic_phenopowerlaw.f90 +++ b/src/plastic_phenopowerlaw.f90 @@ -81,8 +81,8 @@ module plastic_phenopowerlaw type, private :: tPhenopowerlawState real(pReal), pointer, dimension(:) :: & - sumGamma, & - sumF + sumGamma, & ! ToDo: why not make a dependent state? + sumF ! ToDo: why not make a dependent state? real(pReal), pointer, dimension(:,:) :: & xi_slip, & xi_twin, & @@ -386,7 +386,7 @@ subroutine plastic_phenopowerlaw_init startIndex = endIndex + 1_pInt endIndex = endIndex + 1_pInt stt%sumGamma => plasticState(p)%state (startIndex,:) - dot%sumGamma => plasticState(p)%dotState(startIndex,:) ! ToDo: this is never used + dot%sumGamma => plasticState(p)%dotState(startIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolShear startIndex = endIndex + 1_pInt @@ -546,7 +546,7 @@ end subroutine plastic_phenopowerlaw_dotState !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on slip systems and derivatives with respect to resolved stress -!> @details: Shear rates are calculated only optionally. NOTE: Agains the common convention, the +!> @details: Shear rates are calculated only optionally. NOTE: Against the common convention, the !> result (i.e. intent(out)) variables are the last to have the optional arguments at the end !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, & @@ -576,26 +576,39 @@ pure subroutine kinetics_slip(prm,stt,of,Mp,gdot_slip_pos,gdot_slip_neg, & tau_slip_pos, & tau_slip_neg integer(pInt) :: i + logical :: nonSchmidActive + + nonSchmidActive = size(prm%nonSchmidCoeff) > 0_pInt do i = 1_pInt, prm%totalNslip - tau_slip_pos(i) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) - tau_slip_neg(i) = math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)) + tau_slip_pos(i) = math_mul33xx33(Mp,prm%nonSchmid_pos(1:3,1:3,i)) + tau_slip_neg(i) = merge(math_mul33xx33(Mp,prm%nonSchmid_neg(1:3,1:3,i)), & + 0.0_pReal, nonSchmidActive) enddo - gdot_slip_pos = 0.5_pReal*prm%gdot0_slip & - * sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_slip, tau_slip_pos) - gdot_slip_neg = 0.5_pReal*prm%gdot0_slip & - * sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_slip, tau_slip_neg) + where(dNeq0(tau_slip_pos)) + gdot_slip_pos = prm%gdot0_slip * merge(0.5_pReal,1.0_pReal, nonSchmidActive) & ! 1/2 if non-Schmid active + * sign(abs(tau_slip_pos/stt%xi_slip(:,of))**prm%n_slip, tau_slip_pos) + else where + gdot_slip_pos = 0.0_pReal + end where + + where(dNeq0(tau_slip_neg)) + gdot_slip_neg = 0.5_pReal*prm%gdot0_slip & + * sign(abs(tau_slip_neg/stt%xi_slip(:,of))**prm%n_slip, tau_slip_neg) + else where + gdot_slip_neg = 0.0_pReal + end where if (present(dgdot_dtau_slip_pos)) then - where(dNeq0(tau_slip_pos)) + where(dNeq0(gdot_slip_pos)) dgdot_dtau_slip_pos = gdot_slip_pos*prm%n_slip/tau_slip_pos else where dgdot_dtau_slip_pos = 0.0_pReal end where endif if (present(dgdot_dtau_slip_neg)) then - where(dNeq0(tau_slip_neg)) + where(dNeq0(gdot_slip_neg)) dgdot_dtau_slip_neg = gdot_slip_neg*prm%n_slip/tau_slip_neg else where dgdot_dtau_slip_neg = 0.0_pReal @@ -607,7 +620,7 @@ end subroutine kinetics_slip !-------------------------------------------------------------------------------------------------- !> @brief calculates shear rates on twin systems and derivatives with respect to resolved stress -!> @details: Shear rates are calculated only optionally. NOTE: Agains the common convention, the +!> @details: Shear rates are calculated only optionally. NOTE: Against the common convention, the !> result (i.e. intent(out)) variables are the last to have the optional arguments at the end !-------------------------------------------------------------------------------------------------- pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin) @@ -637,11 +650,15 @@ pure subroutine kinetics_twin(prm,stt,of,Mp,gdot_twin,dgdot_dtau_twin) do i = 1_pInt, prm%totalNtwin tau_twin(i) = math_mul33xx33(Mp,prm%Schmid_twin(1:3,1:3,i)) enddo - gdot_twin = merge((1.0_pReal-stt%sumF(of))*prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin, & - 0.0_pReal, tau_twin>0.0_pReal) + + where(tau_twin > 0.0_pReal) + gdot_twin = (1.0_pReal-stt%sumF(of))*prm%gdot0_twin*(abs(tau_twin)/stt%xi_twin(:,of))**prm%n_twin + else where + gdot_twin = 0.0_pReal + end where if (present(dgdot_dtau_twin)) then - where(dNeq0(tau_twin)) + where(dNeq0(gdot_twin)) dgdot_dtau_twin = gdot_twin*prm%n_twin/tau_twin else where dgdot_dtau_twin = 0.0_pReal @@ -655,14 +672,8 @@ end subroutine kinetics_twin !> @brief return array of constitutive results !-------------------------------------------------------------------------------------------------- function plastic_phenopowerlaw_postResults(Mp,instance,of) result(postResults) - use material, only: & - material_phase, & - plasticState, & - phasememberAt, & - phase_plasticityInstance use math, only: & - math_mul33xx33, & - math_Mandel6to33 + math_mul33xx33 implicit none real(pReal), dimension(3,3), intent(in) :: & From 6b4b5b511f378a524620cccb72f930097e968b7e Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 17 Oct 2018 21:41:21 +0200 Subject: [PATCH 098/143] don't let dipole formation be undefined --- src/plastic_dislotwin.f90 | 34 +++++++++++++++++----------------- 1 file changed, 17 insertions(+), 17 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index e98112d27..f9adc9248 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -273,8 +273,6 @@ subroutine plastic_dislotwin_init(fileUnit) dot type(tDislotwinMicrostructure) :: & mse - - write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' write(6,'(/,a)') ' A. Ma and F. Roters, Acta Materialia, 52(12):3603–3612, 2004' write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012' @@ -349,17 +347,17 @@ subroutine plastic_dislotwin_init(fileUnit) prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip) ! sanity checks for slip related parameters - if (any(prm%rho0 <= 0.0_pReal)) - if (any(prm%rhoDip0 <= 0.0_pReal)) - if (any(prm%v0 <= 0.0_pReal)) - if (any(prm%burgers_slip <= 0.0_pReal)) - if (any(prm%Qedge <= 0.0_pReal)) - if (any(prm%CLambdaSlip <= 0.0_pReal)) - if (any(prm%B <= 0.0_pReal)) - if (any(prm%tau_peierls <= 0.0_pReal)) + !if (any(prm%rho0 <= 0.0_pReal)) + !if (any(prm%rhoDip0 <= 0.0_pReal)) + !if (any(prm%v0 <= 0.0_pReal)) + !if (any(prm%burgers_slip <= 0.0_pReal)) + !if (any(prm%Qedge <= 0.0_pReal)) + !if (any(prm%CLambdaSlip <= 0.0_pReal)) + !if (any(prm%B <= 0.0_pReal)) + !if (any(prm%tau_peierls <= 0.0_pReal)) - if (any(prm%p = (prm%p, prm%Nslip) - if (any(prm%q = math_expand(prm%q, prm%Nslip) + ! if (any(prm%p = (prm%p, prm%Nslip) + ! if (any(prm%q = math_expand(prm%q, prm%Nslip) else slipActive allocate(prm%burgers_slip(0)) @@ -1271,13 +1269,15 @@ subroutine plastic_dislotwin_dotState(Mp,Temperature,instance,of) significantSlipStress2: if (dEq0(tau)) then DotRhoDipFormation = 0.0_pReal else significantSlipStress2 - EdgeDipDistance = (3.0_pReal*prm%mu*prm%burgers_slip(i))/& - (16.0_pReal*PI*abs(tau)) - if (EdgeDipDistance>mse%mfp_slip(i,of)) EdgeDipDistance=mse%mfp_slip(i,of) - if (EdgeDipDistancemse%mfp_slip(i,of)) EdgeDipDistance = mse%mfp_slip(i,of) + if (EdgeDipDistance Date: Wed, 17 Oct 2018 21:47:50 +0200 Subject: [PATCH 099/143] just re-ordering --- src/plastic_dislotwin.f90 | 172 +++++++++++++++++++------------------- 1 file changed, 87 insertions(+), 85 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index f9adc9248..078141fe9 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -23,101 +23,89 @@ module plastic_dislotwin kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin enum, bind(c) - enumerator :: undefined_ID, & - edge_density_ID, & - dipole_density_ID, & - shear_rate_slip_ID, & - accumulated_shear_slip_ID, & - mfp_slip_ID, & - resolved_stress_slip_ID, & - threshold_stress_slip_ID, & - edge_dipole_distance_ID, & - stress_exponent_ID, & - twin_fraction_ID, & - shear_rate_twin_ID, & - accumulated_shear_twin_ID, & - mfp_twin_ID, & - resolved_stress_twin_ID, & - threshold_stress_twin_ID, & - resolved_stress_shearband_ID, & - shear_rate_shearband_ID, & - stress_trans_fraction_ID, & - strain_trans_fraction_ID + enumerator :: & + undefined_ID, & + edge_density_ID, & + dipole_density_ID, & + shear_rate_slip_ID, & + accumulated_shear_slip_ID, & + mfp_slip_ID, & + resolved_stress_slip_ID, & + threshold_stress_slip_ID, & + edge_dipole_distance_ID, & + stress_exponent_ID, & + twin_fraction_ID, & + shear_rate_twin_ID, & + accumulated_shear_twin_ID, & + mfp_twin_ID, & + resolved_stress_twin_ID, & + threshold_stress_twin_ID, & + resolved_stress_shearband_ID, & + shear_rate_shearband_ID, & + stress_trans_fraction_ID, & + strain_trans_fraction_ID end enum - type,private :: tParameters - integer(kind(undefined_ID)), dimension(:), allocatable :: & - outputID !< ID of each post result output - - logical :: & - isFCC !< twinning and transformation models are for fcc + type, private :: tParameters real(pReal) :: & mu, & nu, & CAtomicVolume, & !< atomic volume in Bugers vector unit D0, & !< prefactor for self-diffusion coefficient Qsd, & !< activation energy for dislocation climb - GrainSize, & ! Date: Wed, 17 Oct 2018 22:18:33 +0200 Subject: [PATCH 100/143] adjusting to phenopowerlaw --- src/plastic_dislotwin.f90 | 116 +++++++++++++++++++------------------- 1 file changed, 59 insertions(+), 57 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 078141fe9..e4cf83f7a 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -197,6 +197,7 @@ subroutine plastic_dislotwin_init(fileUnit) compiler_options #endif use prec, only: & + pStringLen, & dEq0, & dNeq0, & dNeq @@ -237,13 +238,12 @@ subroutine plastic_dislotwin_init(fileUnit) implicit none integer(pInt), intent(in) :: fileUnit - integer(pInt) :: Ninstances,& + integer(pInt) :: Ninstance,& f,j,i,k,l,m,n,o,p,q,r,s,p1, & offset_slip, index_myFamily, index_otherFamily, & startIndex, endIndex, outputSize integer(pInt) :: sizeState, sizeDotState, sizeDeltaState - integer(pInt) :: NofMyPhase - integer(kind(undefined_ID)) outputID + integer(pInt) :: NipcMyPhase real(pReal), dimension(3,3,3,3) :: & temp3333 @@ -258,15 +258,10 @@ subroutine plastic_dislotwin_init(fileUnit) MartensiteVolume0 real(pReal), allocatable, dimension(:,:) :: temp1,temp2,temp3 - - character(len=65536) :: & - tag = '' - character(len=65536), dimension(:), allocatable :: outputs - integer(pInt), dimension(0), parameter :: emptyInt = [integer(pInt)::] - real(pReal), dimension(0), parameter :: emptyReal = [real(pReal)::] - character(len=65536), dimension(0), parameter :: emptyString = [character(len=65536)::] - + integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] + real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] + character(len=65536), dimension(0), parameter :: emptyStringArray = [character(len=65536)::] type(tParameters) :: & prm @@ -275,6 +270,16 @@ subroutine plastic_dislotwin_init(fileUnit) dot type(tDislotwinMicrostructure) :: & mse + + integer(kind(undefined_ID)) :: & + outputID !< ID of each post result output + + character(len=pStringLen) :: & + structure = '',& + extmsg = '' + character(len=65536), dimension(:), allocatable :: & + outputs + write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>' write(6,'(/,a)') ' A. Ma and F. Roters, Acta Materialia, 52(12):3603–3612, 2004' write(6,'(a)') ' https://doi.org/10.1016/j.actamat.2004.04.012' @@ -285,21 +290,21 @@ subroutine plastic_dislotwin_init(fileUnit) write(6,'(a15,a)') ' Current time: ',IO_timeStamp() #include "compilation_info.f90" - Ninstances = int(count(phase_plasticity == PLASTICITY_DISLOTWIN_ID),pInt) - if (Ninstances == 0_pInt) return + Ninstance = int(count(phase_plasticity == PLASTICITY_DISLOTWIN_ID),pInt) + if (Ninstance == 0_pInt) return if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & - write(6,'(a16,1x,i5,/)') '# instances:',Ninstances + write(6,'(a16,1x,i5,/)') '# instances:',Ninstance - allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),Ninstances),source=0_pInt) - allocate(plastic_dislotwin_output(maxval(phase_Noutput),Ninstances)) + allocate(plastic_dislotwin_sizePostResult(maxval(phase_Noutput),Ninstance),source=0_pInt) + allocate(plastic_dislotwin_output(maxval(phase_Noutput),Ninstance)) plastic_dislotwin_output = '' - allocate(param(Ninstances)) - allocate(state(Ninstances)) - allocate(dotState(Ninstances)) - allocate(microstructure(Ninstances)) + allocate(param(Ninstance)) + allocate(state(Ninstance)) + allocate(dotState(Ninstance)) + allocate(microstructure(Ninstance)) do p = 1_pInt, size(phase_plasticityInstance) if (phase_plasticity(p) /= PLASTICITY_DISLOTWIN_ID) cycle @@ -314,7 +319,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%nu = lattice_nu(p) prm%C66 = lattice_C66(1:6,1:6,p) - prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyInt) + prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray) prm%totalNslip = sum(prm%Nslip) slipActive: if (prm%totalNslip > 0_pInt) then @@ -365,7 +370,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(prm%burgers_slip(0)) endif slipActive - prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyInt) + prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray) prm%totalNtwin = sum(prm%Ntwin) if (prm%totalNtwin > 0_pInt) then @@ -396,7 +401,7 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(prm%r(0)) endif - prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyInt) + prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyIntArray) prm%totalNtrans = sum(prm%Ntrans) if (prm%totalNtrans > 0_pInt) then prm%burgers_trans = config_phase(p)%getFloats('transburgers') @@ -464,7 +469,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%qShearBand = config_phase(p)%getFloat('q_shearband') endif - outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyString) + outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyStringArray) allocate(prm%outputID(0)) do i= 1_pInt, size(outputs) outputID = undefined_ID @@ -581,12 +586,9 @@ subroutine plastic_dislotwin_init(fileUnit) prm%qShearBand <= 0.0_pReal) & call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') - - NofMyPhase=count(material_phase==p) - !-------------------------------------------------------------------------------------------------- ! allocate state arrays - + NipcMyPhase=count(material_phase==p) sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * prm%totalNslip & + int(size(['twinFraction','accsheartwin']),pInt) * prm%totalNtwin & + int(size(['stressTransFraction','strainTransFraction']),pInt) * prm%totalNtrans @@ -600,28 +602,28 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%nTwin = prm%totalNtwin plasticState(p)%nTrans= prm%totalNtrans allocate(plasticState(p)%aTolState (sizeState), source=0.0_pReal) - allocate(plasticState(p)%state0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%partionedState0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%subState0 (sizeState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%state (sizeState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%state0 (sizeState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(p)%partionedState0 (sizeState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(p)%subState0 (sizeState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(p)%state (sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%dotState (sizeDotState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%deltaState (sizeDeltaState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(p)%deltaState (sizeDeltaState,NipcMyPhase), source=0.0_pReal) if (any(numerics_integrator == 1_pInt)) then - allocate(plasticState(p)%previousDotState (sizeDotState,NofMyPhase), source=0.0_pReal) - allocate(plasticState(p)%previousDotState2 (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%previousDotState (sizeDotState,NipcMyPhase), source=0.0_pReal) + allocate(plasticState(p)%previousDotState2 (sizeDotState,NipcMyPhase), source=0.0_pReal) endif if (any(numerics_integrator == 4_pInt)) & - allocate(plasticState(p)%RK4dotState (sizeDotState,NofMyPhase), source=0.0_pReal) + allocate(plasticState(p)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) if (any(numerics_integrator == 5_pInt)) & - allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NofMyPhase),source=0.0_pReal) + allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal) ! ToDo: do later on offset_slip = 2_pInt*plasticState(p)%nslip plasticState(p)%slipRate => & - plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) + plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) plasticState(p)%accumulatedSlip => & - plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NofMyPhase) + plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) ! ToDo: All these things are repeated for each constitutive law. Lattice can provide it as a 'sevice' @@ -804,14 +806,14 @@ subroutine plastic_dislotwin_init(fileUnit) startIndex=1_pInt endIndex=prm%totalNslip stt%rhoEdge=>plasticState(p)%state(startIndex:endIndex,:) - stt%rhoEdge= spread(prm%rho0,2,NofMyPhase) + stt%rhoEdge= spread(prm%rho0,2,NipcMyPhase) dot%rhoEdge=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho startIndex=endIndex+1 endIndex=endIndex+prm%totalNslip stt%rhoEdgeDip=>plasticState(p)%state(startIndex:endIndex,:) - stt%rhoEdgeDip= spread(prm%rhoDip0,2,NofMyPhase) + stt%rhoEdgeDip= spread(prm%rhoDip0,2,NipcMyPhase) dot%rhoEdgeDip=>plasticState(p)%dotState(startIndex:endIndex,:) plasticState(p)%aTolState(startIndex:endIndex) = prm%aTolRho @@ -848,25 +850,25 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%state0 = plasticState(p)%state dot%whole => plasticState(p)%dotState - allocate(mse%invLambdaSlip(prm%totalNslip,NofMyPhase),source=0.0_pReal) - allocate(mse%invLambdaSlipTwin(prm%totalNslip,NofMyPhase),source=0.0_pReal) - allocate(mse%invLambdaTwin(prm%totalNtwin,NofMyPhase),source=0.0_pReal) - allocate(mse%invLambdaSlipTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) - allocate(mse%invLambdaTrans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + allocate(mse%invLambdaSlip(prm%totalNslip,NipcMyPhase),source=0.0_pReal) + allocate(mse%invLambdaSlipTwin(prm%totalNslip,NipcMyPhase),source=0.0_pReal) + allocate(mse%invLambdaTwin(prm%totalNtwin,NipcMyPhase),source=0.0_pReal) + allocate(mse%invLambdaSlipTrans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) + allocate(mse%invLambdaTrans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - allocate(mse%mfp_slip(prm%totalNslip,NofMyPhase), source=0.0_pReal) - allocate(mse%mfp_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) - allocate(mse%mfp_trans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + allocate(mse%mfp_slip(prm%totalNslip,NipcMyPhase), source=0.0_pReal) + allocate(mse%mfp_twin(prm%totalNtwin,NipcMyPhase), source=0.0_pReal) + allocate(mse%mfp_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - allocate(mse%threshold_stress_slip(prm%totalNslip,NofMyPhase), source=0.0_pReal) - allocate(mse%threshold_stress_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) - allocate(mse%threshold_stress_trans(prm%totalNtrans,NofMyPhase),source=0.0_pReal) + allocate(mse%threshold_stress_slip(prm%totalNslip,NipcMyPhase), source=0.0_pReal) + allocate(mse%threshold_stress_twin(prm%totalNtwin,NipcMyPhase), source=0.0_pReal) + allocate(mse%threshold_stress_trans(prm%totalNtrans,NipcMyPhase),source=0.0_pReal) - allocate(mse%tau_r_twin(prm%totalNtwin,NofMyPhase), source=0.0_pReal) - allocate(mse%tau_r_trans(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + allocate(mse%tau_r_twin(prm%totalNtwin,NipcMyPhase), source=0.0_pReal) + allocate(mse%tau_r_trans(prm%totalNtrans,NipcMyPhase), source=0.0_pReal) - allocate(mse%twinVolume(prm%totalNtwin,NofMyPhase), source=0.0_pReal) - allocate(mse%martensiteVolume(prm%totalNtrans,NofMyPhase), source=0.0_pReal) + allocate(mse%twinVolume(prm%totalNtwin,NipcMyPhase), source=0.0_pReal) + allocate(mse%martensiteVolume(prm%totalNtrans,NipcMyPhase), source=0.0_pReal) end associate enddo From 43200615541c30b59caedf6f62b5e55514c08719 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 17 Oct 2018 23:13:47 +0200 Subject: [PATCH 101/143] using central functionality --- src/plastic_dislotwin.f90 | 57 ++++++++++++++++----------------------- 1 file changed, 23 insertions(+), 34 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index e4cf83f7a..9b43acc44 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -319,11 +319,20 @@ subroutine plastic_dislotwin_init(fileUnit) prm%nu = lattice_nu(p) prm%C66 = lattice_C66(1:6,1:6,p) + structure = config_phase(p)%getString('lattice_structure') + + +!-------------------------------------------------------------------------------------------------- +! slip related parameters prm%Nslip = config_phase(p)%getInts('nslip',defaultVal=emptyIntArray) prm%totalNslip = sum(prm%Nslip) - slipActive: if (prm%totalNslip > 0_pInt) then - ! reading in slip related parameters + prm%Schmid_slip = lattice_SchmidMatrix_slip(prm%Nslip,structure(1:3),& + config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) + prm%interaction_SlipSlip = lattice_interaction_SlipSlip(prm%Nslip, & + config_phase(p)%getFloats('interaction_slipslip'), & + structure(1:3)) + prm%rho0 = config_phase(p)%getFloats('rhoedge0', requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_0 prm%rhoDip0 = config_phase(p)%getFloats('rhoedgedip0',requiredShape=shape(prm%Nslip)) !ToDo: rename to rho_dip_0 prm%v0 = config_phase(p)%getFloats('v0', requiredShape=shape(prm%Nslip)) @@ -337,8 +346,6 @@ subroutine plastic_dislotwin_init(fileUnit) prm%tau_peierls = config_phase(p)%getFloats('tau_peierls',requiredShape=shape(prm%Nslip), & defaultVal=[(0.0_pReal, i=1,size(prm%Nslip))]) - prm%interaction_SlipSlip = spread(config_phase(p)%getFloats('interaction_slipslip'),2,1) - prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') ! expand slip related parameters from family => system @@ -370,10 +377,18 @@ subroutine plastic_dislotwin_init(fileUnit) allocate(prm%burgers_slip(0)) endif slipActive - prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray) +!-------------------------------------------------------------------------------------------------- +! twin related parameters + prm%Ntwin = config_phase(p)%getInts('ntwin', defaultVal=emptyIntArray) prm%totalNtwin = sum(prm%Ntwin) - if (prm%totalNtwin > 0_pInt) then + prm%Schmid_twin = lattice_SchmidMatrix_twin(prm%Ntwin,structure(1:3),& + config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)) + prm%interaction_TwinTwin = lattice_interaction_TwinTwin(prm%Ntwin,& + config_phase(p)%getFloats('interaction_twintwin'), & + structure(1:3)) + + prm%burgers_twin = config_phase(p)%getFloats('twinburgers') prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) @@ -381,7 +396,6 @@ subroutine plastic_dislotwin_init(fileUnit) prm%Cthresholdtwin = config_phase(p)%getFloat('cthresholdtwin', defaultVal=0.0_pReal) prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%interaction_TwinTwin = spread(config_phase(p)%getFloats('interaction_twintwin'),2,1) if (.not. prm%isFCC) then prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) @@ -626,12 +640,8 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) - ! ToDo: All these things are repeated for each constitutive law. Lattice can provide it as a 'sevice' - ! See 44 branch - allocate(temp1(prm%totalNslip,prm%totalNslip), source =0.0_pReal) allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) - allocate(prm%Schmid_slip(3,3,prm%totalNslip),source = 0.0_pReal) allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal) i = 0_pInt mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) @@ -639,18 +649,12 @@ subroutine plastic_dislotwin_init(fileUnit) slipSystemsLoop: do j = 1_pInt,prm%Nslip(f) i = i + 1_pInt - prm%Schmid_slip(1:3,1:3,i) = lattice_Sslip(1:3,1:3,1,sum(lattice_Nslipsystem(1:f-1,p))+j,p) do o = 1_pInt, size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) prm%forestProjectionEdge(index_myFamily+j,index_otherFamily+k) = & abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) - temp1(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_SlipSlip(lattice_interactionSlipSlip( & - sum(lattice_NslipSystem(1:f-1,p))+j, & - sum(lattice_NslipSystem(1:o-1,p))+k, & - p),1 ) enddo; enddo do o = 1_pInt,size(prm%Ntwin,1) @@ -674,16 +678,13 @@ subroutine plastic_dislotwin_init(fileUnit) enddo; enddo enddo slipSystemsLoop - enddo mySlipFamilies - prm%interaction_SlipSlip = temp1; deallocate(temp1) + enddo mySlipFamilies prm%interaction_SlipTwin = temp2; deallocate(temp2) prm%interaction_SlipTrans = temp3; deallocate(temp3) - allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) - allocate(temp2(prm%totalNtwin,prm%totalNtwin), source =0.0_pReal) + allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal) - allocate(prm%Schmid_twin(3,3,prm%totalNtwin),source = 0.0_pReal) if (lattice_structure(p) == LATTICE_fcc_ID) & allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0_pInt) allocate(prm%shear_twin(prm%totalNtwin),source = 0.0_pReal) @@ -692,7 +693,6 @@ subroutine plastic_dislotwin_init(fileUnit) index_myFamily = sum(prm%Ntwin(1:f-1_pInt)) ! index in truncated twin system list twinSystemsLoop: do j = 1_pInt,prm%Ntwin(f) i = i + 1_pInt - prm%Schmid_twin(1:3,1:3,i) = lattice_Stwin(1:3,1:3,sum(lattice_NTwinsystem(1:f-1,p))+j,p) prm%shear_twin(i) = lattice_shearTwin(sum(lattice_Ntwinsystem(1:f-1,p))+j,p) if (lattice_structure(p) == LATTICE_fcc_ID) prm%fcc_twinNucleationSlipPair(1:2,i) = & lattice_fcc_twinNucleationSlipPair(1:2,sum(lattice_Ntwinsystem(1:f-1,p))+j) @@ -724,20 +724,9 @@ subroutine plastic_dislotwin_init(fileUnit) p),1 ) enddo; enddo - do o = 1_pInt,size(prm%Ntwin,1) - index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) - do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) - temp2(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_TwinTwin(lattice_interactionTwinTwin( & - sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, & - sum(lattice_NtwinSystem(1:o-1_pInt,p))+k, & - p),1 ) - enddo; enddo - enddo twinSystemsLoop enddo twinFamiliesLoop prm%interaction_TwinSlip = temp1; deallocate(temp1) - prm%interaction_TwinTwin = temp2; deallocate(temp2) allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) From 121d146a351dea5b7b34ff03b5a794975b8604ab Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 17 Oct 2018 23:20:39 +0200 Subject: [PATCH 102/143] using more central functions --- src/plastic_dislotwin.f90 | 43 +++++---------------------------------- 1 file changed, 5 insertions(+), 38 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 9b43acc44..16be186c2 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -697,21 +697,10 @@ subroutine plastic_dislotwin_init(fileUnit) if (lattice_structure(p) == LATTICE_fcc_ID) prm%fcc_twinNucleationSlipPair(1:2,i) = & lattice_fcc_twinNucleationSlipPair(1:2,sum(lattice_Ntwinsystem(1:f-1,p))+j) !* Rotate twin elasticity matrices - temp3333 = 0.0_pReal index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list - do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt - do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - temp3333(l,m,n,o) = & - temp3333(l,m,n,o) + & - lattice_Qtwin(l,p1,index_otherFamily+j,p) * & - lattice_Qtwin(m,q,index_otherFamily+j,p) * & - lattice_Qtwin(n,r,index_otherFamily+j,p) * & - lattice_Qtwin(o,s,index_otherFamily+j,p) * lattice_C3333(p1,q,r,s,p) - enddo; enddo; enddo; enddo - enddo; enddo; enddo; enddo + temp3333 = math_rotate_forward3333(lattice_C3333(1:3,1:3,1:3,1:3,p),& + lattice_Qtwin(1:3,1:3,index_otherFamily+j,p)) prm%C66_twin(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333) - if (any(dNeq0(temp3333-math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),& - lattice_Qtwin(1:3,1:3,index_otherFamily+j,p))))) print*, 'mist' !* Interaction matrices do o = 1_pInt,size(prm%Nslip,1) @@ -739,21 +728,11 @@ subroutine plastic_dislotwin_init(fileUnit) transSystemsLoop: do j = 1_pInt,prm%Ntrans(f) i = i + 1_pInt prm%Schmid_trans(1:3,1:3,i) = lattice_Strans(1:3,1:3,sum(lattice_Ntranssystem(1:f-1,p))+j,p) + !* Rotate trans elasticity matrices index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list - temp3333 = 0.0_pReal - do l = 1_pInt,3_pInt; do m = 1_pInt,3_pInt; do n = 1_pInt,3_pInt; do o = 1_pInt,3_pInt - do p1 = 1_pInt,3_pInt; do q = 1_pInt,3_pInt; do r = 1_pInt,3_pInt; do s = 1_pInt,3_pInt - temp3333(l,m,n,o) = & - temp3333(l,m,n,o) + & - lattice_Qtrans(l,p1,index_otherFamily+j,p) * & - lattice_Qtrans(m,q,index_otherFamily+j,p) * & - lattice_Qtrans(n,r,index_otherFamily+j,p) * & - lattice_Qtrans(o,s,index_otherFamily+j,p)* lattice_trans_C3333(p1,q,r,s,p) - enddo; enddo; enddo; enddo - enddo; enddo; enddo; enddo + temp3333 = math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),& + lattice_Qtrans(1:3,1:3,index_otherFamily+j,p)) prm%C66_trans(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333) - if (any(dNeq0(temp3333-math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),& - lattice_Qtrans(1:3,1:3,index_otherFamily+j,p))))) print*, 'mist' !* Interaction matrices do o = 1_pInt,size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) @@ -775,18 +754,6 @@ subroutine plastic_dislotwin_init(fileUnit) p),1 ) enddo; enddo - !* Projection matrices for shear from slip systems to fault-band (twin) systems for strain-induced martensite nucleation - ! select case(trans_lattice_structure(p)) - ! case (LATTICE_bcc_ID) - ! do o = 1_pInt,sum(prm%Ntrans,1) - ! index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) - ! do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (trans) - ! temp3(index_myFamily+j,index_otherFamily+k) = & - ! lattice_projectionTrans( sum(lattice_NtransSystem(1:f-1,p))+j, & - ! sum(lattice_NslipSystem(1:o-1,p))+k, p) - ! enddo; enddo - ! end select - enddo transSystemsLoop enddo transFamiliesLoop prm%interaction_TransSlip = temp1; deallocate(temp1) From 33d816a5d00e0801830d8650da59be28d6085080 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Wed, 17 Oct 2018 23:56:57 +0200 Subject: [PATCH 103/143] polishing --- src/plastic_dislotwin.f90 | 59 +++++++++++++++++---------------------- 1 file changed, 26 insertions(+), 33 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 16be186c2..b5ac276f3 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -212,9 +212,6 @@ subroutine plastic_dislotwin_init(fileUnit) math_mul3x3, & math_expand,& PI - use mesh, only: & - mesh_maxNips, & - mesh_NcpElems use IO, only: & IO_warning, & IO_error, & @@ -239,7 +236,7 @@ subroutine plastic_dislotwin_init(fileUnit) integer(pInt), intent(in) :: fileUnit integer(pInt) :: Ninstance,& - f,j,i,k,l,m,n,o,p,q,r,s,p1, & + f,j,i,k,l,o,p, & offset_slip, index_myFamily, index_otherFamily, & startIndex, endIndex, outputSize integer(pInt) :: sizeState, sizeDotState, sizeDeltaState @@ -250,9 +247,6 @@ subroutine plastic_dislotwin_init(fileUnit) real(pReal), allocatable, dimension(:) :: & invLambdaSlip0,& - MeanFreePathSlip0,& - MeanFreePathTrans0,& - MeanFreePathTwin0,& tauSlipThreshold0,& TwinVolume0,& MartensiteVolume0 @@ -348,7 +342,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%CEdgeDipMinDistance = config_phase(p)%getFloat('cedgedipmindistance') - ! expand slip related parameters from family => system + ! expand: family => system prm%rho0 = math_expand(prm%rho0, prm%Nslip) prm%rhoDip0 = math_expand(prm%rhoDip0, prm%Nslip) prm%v0 = math_expand(prm%v0, prm%Nslip) @@ -360,15 +354,15 @@ subroutine plastic_dislotwin_init(fileUnit) prm%B = math_expand(prm%B, prm%Nslip) prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip) - ! sanity checks for slip related parameters - !if (any(prm%rho0 <= 0.0_pReal)) - !if (any(prm%rhoDip0 <= 0.0_pReal)) - !if (any(prm%v0 <= 0.0_pReal)) - !if (any(prm%burgers_slip <= 0.0_pReal)) - !if (any(prm%Qedge <= 0.0_pReal)) - !if (any(prm%CLambdaSlip <= 0.0_pReal)) - !if (any(prm%B <= 0.0_pReal)) - !if (any(prm%tau_peierls <= 0.0_pReal)) + ! sanity checks + if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//'rho0 ' + if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//'rhoDip0 ' + if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//'v0 ' + if (any(prm%burgers_slip <= 0.0_pReal)) extmsg = trim(extmsg)//'burgers_slip ' + if (any(prm%Qedge <= 0.0_pReal)) extmsg = trim(extmsg)//'Qedge ' + if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//'CLambdaSlip ' + if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//'B ' + if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//'tau_peierls ' ! if (any(prm%p = (prm%p, prm%Nslip) ! if (any(prm%q = math_expand(prm%q, prm%Nslip) @@ -388,27 +382,28 @@ subroutine plastic_dislotwin_init(fileUnit) config_phase(p)%getFloats('interaction_twintwin'), & structure(1:3)) - prm%burgers_twin = config_phase(p)%getFloats('twinburgers') - prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) - - prm%xc_twin = config_phase(p)%getFloat('xc_twin') - prm%Cthresholdtwin = config_phase(p)%getFloat('cthresholdtwin', defaultVal=0.0_pReal) - prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%twinsize = config_phase(p)%getFloats('twinsize') + prm%r = config_phase(p)%getFloats('r_twin') + + prm%xc_twin = config_phase(p)%getFloat('xc_twin') + prm%L0_twin = config_phase(p)%getFloat('l0_twin') + prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults + prm%Cthresholdtwin = config_phase(p)%getFloat('cthresholdtwin', defaultVal=0.0_pReal) + prm%Cmfptwin = config_phase(p)%getFloat('cmfptwin', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + if (.not. prm%isFCC) then prm%Ndot0_twin = config_phase(p)%getFloats('ndot0_twin') prm%Ndot0_twin = math_expand(prm%Ndot0_twin,prm%Ntwin) endif - prm%twinsize = config_phase(p)%getFloats('twinsize') - prm%twinsize= math_expand(prm%twinsize,prm%Ntwin) + ! expand: family => system + prm%burgers_twin = math_expand(prm%burgers_twin,prm%Ntwin) + prm%twinsize = math_expand(prm%twinsize,prm%Ntwin) + prm%r = math_expand(prm%r,prm%Ntwin) - prm%r = config_phase(p)%getFloats('r_twin') - prm%r = math_expand(prm%r,prm%Ntwin) - - prm%L0_twin = config_phase(p)%getFloat('l0_twin') - prm%MaxTwinFraction = config_phase(p)%getFloat('maxtwinfraction') ! ToDo: only used in postResults + else allocate(prm%twinsize(0)) allocate(prm%burgers_twin(0)) @@ -474,7 +469,7 @@ subroutine plastic_dislotwin_init(fileUnit) prm%Qsd = config_phase(p)%getFloat('qsd') prm%SolidSolutionStrength = config_phase(p)%getFloat('solidsolutionstrength') if (config_phase(p)%keyExists('dipoleformationfactor')) call IO_error(1,ext_msg='use /nodipoleformation/') - prm%dipoleformation = .not. config_phase(p)%keyExists('/nodipoleformation') + prm%dipoleformation = .not. config_phase(p)%keyExists('/nodipoleformation/') prm%sbVelocity = config_phase(p)%getFloat('shearbandvelocity',defaultVal=0.0_pReal) if (prm%sbVelocity > 0.0_pReal) then prm%sbResistance = config_phase(p)%getFloat('shearbandresistance') @@ -560,8 +555,6 @@ subroutine plastic_dislotwin_init(fileUnit) do f = 1_pInt,lattice_maxNtwinFamily - ! if (burgersPerTwinFamily(f,p) <= 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='twinburgers ('//PLASTICITY_DISLOTWIN_label//')') !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & ! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') enddo From 59399f2cd2d8e200348123d16f9f9d3b138a4208 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 18 Oct 2018 19:06:21 +0200 Subject: [PATCH 104/143] sanity checks --- src/plastic_dislotwin.f90 | 21 ++++++++++----------- 1 file changed, 10 insertions(+), 11 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index b5ac276f3..2ffba9360 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -355,17 +355,16 @@ subroutine plastic_dislotwin_init(fileUnit) prm%tau_peierls = math_expand(prm%tau_peierls, prm%Nslip) ! sanity checks - if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//'rho0 ' - if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//'rhoDip0 ' - if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//'v0 ' - if (any(prm%burgers_slip <= 0.0_pReal)) extmsg = trim(extmsg)//'burgers_slip ' - if (any(prm%Qedge <= 0.0_pReal)) extmsg = trim(extmsg)//'Qedge ' - if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//'CLambdaSlip ' - if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//'B ' - if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//'tau_peierls ' - - ! if (any(prm%p = (prm%p, prm%Nslip) - ! if (any(prm%q = math_expand(prm%q, prm%Nslip) + if (any(prm%rho0 < 0.0_pReal)) extmsg = trim(extmsg)//'rho0 ' + if (any(prm%rhoDip0 < 0.0_pReal)) extmsg = trim(extmsg)//'rhoDip0 ' + if (any(prm%v0 < 0.0_pReal)) extmsg = trim(extmsg)//'v0 ' + if (any(prm%burgers_slip <= 0.0_pReal)) extmsg = trim(extmsg)//'burgers_slip ' + if (any(prm%Qedge <= 0.0_pReal)) extmsg = trim(extmsg)//'Qedge ' + if (any(prm%CLambdaSlip <= 0.0_pReal)) extmsg = trim(extmsg)//'CLambdaSlip ' + if (any(prm%B < 0.0_pReal)) extmsg = trim(extmsg)//'B ' + if (any(prm%tau_peierls < 0.0_pReal)) extmsg = trim(extmsg)//'tau_peierls ' + if (any(prm%p<=0.0_pReal .or. prm%p>1.0_pReal)) extmsg = trim(extmsg)//'p ' + if (any(prm%q< 1.0_pReal .or. prm%q>2.0_pReal)) extmsg = trim(extmsg)//'q ' else slipActive allocate(prm%burgers_slip(0)) From d7fa3a9791e2f66617dc7648c56c10376e13c171 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 18 Oct 2018 21:34:26 +0200 Subject: [PATCH 105/143] just sorting --- src/plastic_dislotwin.f90 | 80 ++++++++++++++++++++------------------- 1 file changed, 41 insertions(+), 39 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 2ffba9360..22be321f2 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -476,6 +476,47 @@ subroutine plastic_dislotwin_init(fileUnit) prm%pShearBand = config_phase(p)%getFloat('p_shearband') prm%qShearBand = config_phase(p)%getFloat('q_shearband') endif + + + + + !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') + + if (prm%CAtomicVolume <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%D0 <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%Qsd <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%totalNtwin > 0_pInt) then + if (dEq0(prm%SFE_0K) .and. & + dEq0(prm%dSFE_dT) .and. & + lattice_structure(p) == LATTICE_fcc_ID) & + call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolRho <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolTwinFrac <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') + endif + if (prm%totalNtrans > 0_pInt) then + if (dEq0(prm%SFE_0K) .and. & + dEq0(prm%dSFE_dT) .and. & + lattice_structure(p) == LATTICE_fcc_ID) & + call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%aTolTransFrac <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') + endif + !if (prm%sbResistance < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbVelocity < 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') + !if (prm%sbVelocity > 0.0_pReal .and. & + ! prm%pShearBand <= 0.0_pReal) & + ! call IO_error(211_pInt,el=p,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') + if (prm%sbVelocity > 0.0_pReal .and. & + prm%qShearBand <= 0.0_pReal) & + call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') outputs = config_phase(p)%getStrings('(output)', defaultVal=emptyStringArray) allocate(prm%outputID(0)) @@ -552,45 +593,6 @@ subroutine plastic_dislotwin_init(fileUnit) endif enddo - - do f = 1_pInt,lattice_maxNtwinFamily - !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') - enddo - if (prm%CAtomicVolume <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='cAtomicVolume ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%D0 <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='D0 ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%Qsd <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='Qsd ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%totalNtwin > 0_pInt) then - if (dEq0(prm%SFE_0K) .and. & - dEq0(prm%dSFE_dT) .and. & - lattice_structure(p) == LATTICE_fcc_ID) & - call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%aTolRho <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='aTolRho ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%aTolTwinFrac <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='aTolTwinFrac ('//PLASTICITY_DISLOTWIN_label//')') - endif - if (prm%totalNtrans > 0_pInt) then - if (dEq0(prm%SFE_0K) .and. & - dEq0(prm%dSFE_dT) .and. & - lattice_structure(p) == LATTICE_fcc_ID) & - call IO_error(211_pInt,el=p,ext_msg='SFE0K ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%aTolTransFrac <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='aTolTransFrac ('//PLASTICITY_DISLOTWIN_label//')') - endif - !if (prm%sbResistance < 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='sbResistance ('//PLASTICITY_DISLOTWIN_label//')') - !if (prm%sbVelocity < 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='sbVelocity ('//PLASTICITY_DISLOTWIN_label//')') - !if (prm%sbVelocity > 0.0_pReal .and. & - ! prm%pShearBand <= 0.0_pReal) & - ! call IO_error(211_pInt,el=p,ext_msg='pShearBand ('//PLASTICITY_DISLOTWIN_label//')') - if (prm%sbVelocity > 0.0_pReal .and. & - prm%qShearBand <= 0.0_pReal) & - call IO_error(211_pInt,el=p,ext_msg='qShearBand ('//PLASTICITY_DISLOTWIN_label//')') !-------------------------------------------------------------------------------------------------- ! allocate state arrays From f71e067f5e26ab712cd2892ea7d40418acc15d02 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 18 Oct 2018 21:41:17 +0200 Subject: [PATCH 106/143] using functionality from lattice --- src/plastic_dislotwin.f90 | 44 +++++++-------------------------------- 1 file changed, 8 insertions(+), 36 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 22be321f2..5d763f0f9 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -443,11 +443,12 @@ subroutine plastic_dislotwin_init(fileUnit) endif if (prm%totalNslip > 0_pInt .and. prm%totalNtwin > 0_pInt) then - prm%interaction_SlipTwin = spread(config_phase(p)%getFloats('interaction_sliptwin'),2,1) - prm%interaction_TwinSlip = spread(config_phase(p)%getFloats('interaction_twinslip'),2,1) - prm%p = math_expand(prm%p,prm%Nslip) - prm%q = math_expand(prm%q,prm%Nslip) - prm%tau_peierls = math_expand(prm%tau_peierls,prm%Nslip) + prm%interaction_SlipTwin = lattice_interaction_SlipTwin(prm%Nslip,prm%Ntwin,& + config_phase(p)%getFloats('interaction_sliptwin'), & + structure(1:3)) + prm%interaction_TwinSlip = lattice_interaction_TwinSlip(prm%Ntwin,prm%Nslip,& + config_phase(p)%getFloats('interaction_twinslip'), & + structure(1:3)) endif if (prm%totalNslip > 0_pInt .and. prm%totalNtrans > 0_pInt) then @@ -632,9 +633,7 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%dotState(offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) plasticState(p)%accumulatedSlip => & plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) - - - allocate(temp2(prm%totalNslip,prm%totalNtwin), source =0.0_pReal) + allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal) i = 0_pInt @@ -650,17 +649,6 @@ subroutine plastic_dislotwin_init(fileUnit) abs(math_mul3x3(lattice_sn(:,sum(lattice_NslipSystem(1:f-1,p))+j,p), & lattice_st(:,sum(lattice_NslipSystem(1:o-1,p))+k,p))) enddo; enddo - - do o = 1_pInt,size(prm%Ntwin,1) - index_otherFamily = sum(prm%Ntwin(1:o-1_pInt)) - do k = 1_pInt,prm%Ntwin(o) ! loop over (active) systems in other family (twin) - temp2(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_SlipTwin(lattice_interactionSlipTwin( & - sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & - sum(lattice_NtwinSystem(1:o-1_pInt,p))+k, & - p),1 ) - enddo; enddo - do o = 1_pInt,size(prm%Ntrans,1) index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) @@ -673,11 +661,8 @@ subroutine plastic_dislotwin_init(fileUnit) enddo slipSystemsLoop enddo mySlipFamilies - prm%interaction_SlipTwin = temp2; deallocate(temp2) prm%interaction_SlipTrans = temp3; deallocate(temp3) - - allocate(temp1(prm%totalNtwin,prm%totalNslip), source =0.0_pReal) allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal) if (lattice_structure(p) == LATTICE_fcc_ID) & allocate(prm%fcc_twinNucleationSlipPair(2,prm%totalNtwin),source = 0_pInt) @@ -695,21 +680,8 @@ subroutine plastic_dislotwin_init(fileUnit) temp3333 = math_rotate_forward3333(lattice_C3333(1:3,1:3,1:3,1:3,p),& lattice_Qtwin(1:3,1:3,index_otherFamily+j,p)) prm%C66_twin(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333) - - !* Interaction matrices - do o = 1_pInt,size(prm%Nslip,1) - index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) - do k = 1_pInt,prm%Nslip(o) ! loop over (active) systems in other family (slip) - temp1(index_myFamily+j,index_otherFamily+k) = & - prm%interaction_TwinSlip(lattice_interactionTwinSlip( & - sum(lattice_NtwinSystem(1:f-1_pInt,p))+j, & - sum(lattice_NslipSystem(1:o-1_pInt,p))+k, & - p),1 ) - enddo; enddo - enddo twinSystemsLoop enddo twinFamiliesLoop - prm%interaction_TwinSlip = temp1; deallocate(temp1) allocate(temp1(prm%totalNtrans,prm%totalNslip), source =0.0_pReal) @@ -1388,7 +1360,7 @@ pure subroutine kinetics_slip(prm,stt,mse,of,Mp,temperature,gdot_slip,dgdot_dtau / (v_wait_inverse+v_run_inverse)**2.0_pReal dgdot_dtau = dV_dTau*stt%rhoEdge(:,of)*prm%burgers_slip else where significantStress - gdot_slip = 0.0_pReal + gdot_slip = 0.0_pReal dgdot_dtau = 0.0_pReal end where significantStress From 49c7a6c5246af4fbe738ce453780d0423b80b744 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 18 Oct 2018 22:20:26 +0200 Subject: [PATCH 107/143] sorting --- src/plastic_dislotwin.f90 | 22 ++++++++++------------ 1 file changed, 10 insertions(+), 12 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 5d763f0f9..0cf7a88b0 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -402,25 +402,26 @@ subroutine plastic_dislotwin_init(fileUnit) prm%twinsize = math_expand(prm%twinsize,prm%Ntwin) prm%r = math_expand(prm%r,prm%Ntwin) - else allocate(prm%twinsize(0)) allocate(prm%burgers_twin(0)) allocate(prm%r(0)) endif - prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyIntArray) +!-------------------------------------------------------------------------------------------------- +! transformation related parameters + prm%Ntrans = config_phase(p)%getInts('ntrans', defaultVal=emptyIntArray) prm%totalNtrans = sum(prm%Ntrans) if (prm%totalNtrans > 0_pInt) then prm%burgers_trans = config_phase(p)%getFloats('transburgers') prm%burgers_trans = math_expand(prm%burgers_trans,prm%Ntrans) - prm%Cthresholdtrans = config_phase(p)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%Cthresholdtrans = config_phase(p)%getFloat('cthresholdtrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? prm%transStackHeight = config_phase(p)%getFloat('transstackheight', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%Cmfptrans = config_phase(p)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%deltaG = config_phase(p)%getFloat('deltag') - prm%xc_trans = config_phase(p)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? - prm%L0_trans = config_phase(p)%getFloat('l0_trans') + prm%Cmfptrans = config_phase(p)%getFloat('cmfptrans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%deltaG = config_phase(p)%getFloat('deltag') + prm%xc_trans = config_phase(p)%getFloat('xc_trans', defaultVal=0.0_pReal) ! ToDo: How to handle that??? + prm%L0_trans = config_phase(p)%getFloat('l0_trans') prm%interaction_TransTrans = spread(config_phase(p)%getFloats('interaction_transtrans'),2,1) if (lattice_structure(p) /= LATTICE_fcc_ID) then @@ -437,8 +438,8 @@ subroutine plastic_dislotwin_init(fileUnit) endif if (sum(prm%Ntwin) > 0_pInt .or. prm%totalNtrans > 0_pInt) then - prm%SFE_0K = config_phase(p)%getFloat('sfe_0k') - prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt') + prm%SFE_0K = config_phase(p)%getFloat('sfe_0k') + prm%dSFE_dT = config_phase(p)%getFloat('dsfe_dt') prm%VcrossSlip = config_phase(p)%getFloat('vcrossslip') endif @@ -478,9 +479,6 @@ subroutine plastic_dislotwin_init(fileUnit) prm%qShearBand = config_phase(p)%getFloat('q_shearband') endif - - - !if (Ndot0PerTwinFamily(f,p) < 0.0_pReal) & ! call IO_error(211_pInt,el=p,ext_msg='ndot0_twin ('//PLASTICITY_DISLOTWIN_label//')') From c413df7ed279395631a76d1fb31b0bb120e319c6 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 18 Oct 2018 22:54:33 +0200 Subject: [PATCH 108/143] a little cleaning --- src/plastic_dislotwin.f90 | 33 +++++++++++---------------------- 1 file changed, 11 insertions(+), 22 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 0cf7a88b0..24f889283 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -208,7 +208,6 @@ subroutine plastic_dislotwin_init(fileUnit) use math, only: & math_rotate_forward3333, & math_Mandel3333to66, & - math_Voigt66to3333, & math_mul3x3, & math_expand,& PI @@ -217,7 +216,6 @@ subroutine plastic_dislotwin_init(fileUnit) IO_error, & IO_timeStamp use material, only: & - homogenization_maxNgrains, & phase_plasticity, & phase_plasticityInstance, & phase_Noutput, & @@ -236,22 +234,13 @@ subroutine plastic_dislotwin_init(fileUnit) integer(pInt), intent(in) :: fileUnit integer(pInt) :: Ninstance,& - f,j,i,k,l,o,p, & + f,j,i,k,o,p, & offset_slip, index_myFamily, index_otherFamily, & startIndex, endIndex, outputSize integer(pInt) :: sizeState, sizeDotState, sizeDeltaState integer(pInt) :: NipcMyPhase - - real(pReal), dimension(3,3,3,3) :: & - temp3333 - - real(pReal), allocatable, dimension(:) :: & - invLambdaSlip0,& - tauSlipThreshold0,& - TwinVolume0,& - MartensiteVolume0 - real(pReal), allocatable, dimension(:,:) :: temp1,temp2,temp3 + real(pReal), allocatable, dimension(:,:) :: temp1,temp2 integer(pInt), dimension(0), parameter :: emptyIntArray = [integer(pInt)::] real(pReal), dimension(0), parameter :: emptyRealArray = [real(pReal)::] @@ -632,7 +621,7 @@ subroutine plastic_dislotwin_init(fileUnit) plasticState(p)%accumulatedSlip => & plasticState(p)%state (offset_slip+1:offset_slip+plasticState(p)%nslip,1:NipcMyPhase) - allocate(temp3(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) + allocate(temp1(prm%totalNslip,prm%totalNtrans),source =0.0_pReal) allocate(prm%forestProjectionEdge(prm%totalNslip,prm%totalNslip),source = 0.0_pReal) i = 0_pInt mySlipFamilies: do f = 1_pInt,size(prm%Nslip,1) @@ -650,7 +639,7 @@ subroutine plastic_dislotwin_init(fileUnit) do o = 1_pInt,size(prm%Ntrans,1) index_otherFamily = sum(prm%Ntrans(1:o-1_pInt)) do k = 1_pInt,prm%Ntrans(o) ! loop over (active) systems in other family (trans) - temp3(index_myFamily+j,index_otherFamily+k) = & + temp1(index_myFamily+j,index_otherFamily+k) = & prm%interaction_SlipTrans(lattice_interactionSlipTrans( & sum(lattice_NslipSystem(1:f-1_pInt,p))+j, & sum(lattice_NtransSystem(1:o-1_pInt,p))+k, & @@ -659,7 +648,7 @@ subroutine plastic_dislotwin_init(fileUnit) enddo slipSystemsLoop enddo mySlipFamilies - prm%interaction_SlipTrans = temp3; deallocate(temp3) + prm%interaction_SlipTrans = temp1; deallocate(temp1) allocate(prm%C66_twin(6,6,prm%totalNtwin), source=0.0_pReal) if (lattice_structure(p) == LATTICE_fcc_ID) & @@ -675,9 +664,9 @@ subroutine plastic_dislotwin_init(fileUnit) lattice_fcc_twinNucleationSlipPair(1:2,sum(lattice_Ntwinsystem(1:f-1,p))+j) !* Rotate twin elasticity matrices index_otherFamily = sum(lattice_NtwinSystem(1:f-1_pInt,p)) ! index in full lattice twin list - temp3333 = math_rotate_forward3333(lattice_C3333(1:3,1:3,1:3,1:3,p),& - lattice_Qtwin(1:3,1:3,index_otherFamily+j,p)) - prm%C66_twin(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333) + prm%C66_twin(1:6,1:6,index_myFamily+j) = & + math_Mandel3333to66(math_rotate_forward3333(lattice_C3333(1:3,1:3,1:3,1:3,p),& + lattice_Qtwin(1:3,1:3,index_otherFamily+j,p))) enddo twinSystemsLoop enddo twinFamiliesLoop @@ -694,9 +683,9 @@ subroutine plastic_dislotwin_init(fileUnit) prm%Schmid_trans(1:3,1:3,i) = lattice_Strans(1:3,1:3,sum(lattice_Ntranssystem(1:f-1,p))+j,p) !* Rotate trans elasticity matrices index_otherFamily = sum(lattice_NtransSystem(1:f-1_pInt,p)) ! index in full lattice trans list - temp3333 = math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),& - lattice_Qtrans(1:3,1:3,index_otherFamily+j,p)) - prm%C66_trans(1:6,1:6,index_myFamily+j) = math_Mandel3333to66(temp3333) + prm%C66_trans(1:6,1:6,index_myFamily+j) = & + math_Mandel3333to66(math_rotate_forward3333(lattice_trans_C3333(1:3,1:3,1:3,1:3,p),& + lattice_Qtrans(1:3,1:3,index_otherFamily+j,p))) !* Interaction matrices do o = 1_pInt,size(prm%Nslip,1) index_otherFamily = sum(prm%Nslip(1:o-1_pInt)) From e9bf0824fe61f909494d793a6c7c090ee0a2cfab Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 18 Nov 2018 23:54:13 +0100 Subject: [PATCH 109/143] Abaqus version hickup was not tested for quite a while --- .gitlab-ci.yml | 3 ++- CONFIG | 2 +- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 5fafb19c0..77b33797c 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -79,6 +79,7 @@ variables: Abaqus: "$Abaqus2017" MSC: "$MSC2018_1" IntelMarc: "$IntelCompiler17_0" + IntelAbaqus: "$IntelCompiler16_4" # ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++ Doxygen1_8_13: "Documentation/Doxygen/1.8.13" # ------------ Defaults ---------------------------------------------- @@ -425,7 +426,7 @@ SpectralExample: AbaqusExample: stage: example script: - - module load $IntelCompiler16_4 $Abaqus + - module load $IntelAbaqus $Abaqus - Abaqus_example/test.py only: - development diff --git a/CONFIG b/CONFIG index e2d81a9a7..13b75a768 100644 --- a/CONFIG +++ b/CONFIG @@ -8,6 +8,6 @@ set DAMASK_NUM_THREADS = 4 set MSC_ROOT = /opt/msc set MARC_VERSION = 2018.1 -set ABAQUS_VERSION = 2018.1 +set ABAQUS_VERSION = 2017 set DAMASK_HDF5 = OFF From 91dce3198d0bfa7fffdf381292055435406f9d05 Mon Sep 17 00:00:00 2001 From: Test User Date: Mon, 19 Nov 2018 11:09:12 +0100 Subject: [PATCH 110/143] [skip ci] updated version information after successful test of v2.0.2-933-ge9bf0824 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index fe1629f5b..59c13ecfd 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-889-g47650e94 +v2.0.2-933-ge9bf0824 From 860aeebbdecf65e400a2555b5a2dc2baa7598481 Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Tue, 20 Nov 2018 09:11:18 -0500 Subject: [PATCH 111/143] slight formatting change to clarify return value make-up --- lib/damask/orientation.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/lib/damask/orientation.py b/lib/damask/orientation.py index 7d97d2c81..cec7080e4 100644 --- a/lib/damask/orientation.py +++ b/lib/damask/orientation.py @@ -929,7 +929,7 @@ class Orientation: # disorientation, own sym, other sym, self-->other: True, self<--other: False return (Orientation(quaternion = theQ,symmetry = self.symmetry.lattice), - i,j,k == 1) + i,j, k == 1) def inversePole(self, From e2e045f75be47e7f1bbd348784bd04dbfbf21fc5 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Tue, 20 Nov 2018 19:46:55 +0100 Subject: [PATCH 112/143] using 'service function' for allocation of state --- src/plastic_dislotwin.f90 | 33 ++++++--------------------------- 1 file changed, 6 insertions(+), 27 deletions(-) diff --git a/src/plastic_dislotwin.f90 b/src/plastic_dislotwin.f90 index 24f889283..00534d251 100644 --- a/src/plastic_dislotwin.f90 +++ b/src/plastic_dislotwin.f90 @@ -219,6 +219,7 @@ subroutine plastic_dislotwin_init(fileUnit) phase_plasticity, & phase_plasticityInstance, & phase_Noutput, & + material_allocatePlasticState, & PLASTICITY_DISLOTWIN_label, & PLASTICITY_DISLOTWIN_ID, & material_phase, & @@ -227,8 +228,6 @@ subroutine plastic_dislotwin_init(fileUnit) MATERIAL_partPhase, & config_phase use lattice - use numerics,only: & - numerics_integrator implicit none integer(pInt), intent(in) :: fileUnit @@ -237,7 +236,7 @@ subroutine plastic_dislotwin_init(fileUnit) f,j,i,k,o,p, & offset_slip, index_myFamily, index_otherFamily, & startIndex, endIndex, outputSize - integer(pInt) :: sizeState, sizeDotState, sizeDeltaState + integer(pInt) :: sizeState, sizeDotState integer(pInt) :: NipcMyPhase real(pReal), allocatable, dimension(:,:) :: temp1,temp2 @@ -588,31 +587,11 @@ subroutine plastic_dislotwin_init(fileUnit) sizeDotState = int(size(['rho ','rhoDip ','accshearslip']),pInt) * prm%totalNslip & + int(size(['twinFraction','accsheartwin']),pInt) * prm%totalNtwin & + int(size(['stressTransFraction','strainTransFraction']),pInt) * prm%totalNtrans - sizeDeltaState = 0_pInt - sizeState = sizeDotState + sizeDeltaState - - plasticState(p)%sizeState = sizeDotState - plasticState(p)%sizeDotState = sizeDotState - plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,phase_plasticityInstance(p))) - plasticState(p)%nSlip = prm%totalNslip - plasticState(p)%nTwin = prm%totalNtwin - plasticState(p)%nTrans= prm%totalNtrans - allocate(plasticState(p)%aTolState (sizeState), source=0.0_pReal) - allocate(plasticState(p)%state0 (sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%partionedState0 (sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%subState0 (sizeState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%state (sizeState,NipcMyPhase), source=0.0_pReal) + sizeState = sizeDotState - allocate(plasticState(p)%dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%deltaState (sizeDeltaState,NipcMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 1_pInt)) then - allocate(plasticState(p)%previousDotState (sizeDotState,NipcMyPhase), source=0.0_pReal) - allocate(plasticState(p)%previousDotState2 (sizeDotState,NipcMyPhase), source=0.0_pReal) - endif - if (any(numerics_integrator == 4_pInt)) & - allocate(plasticState(p)%RK4dotState (sizeDotState,NipcMyPhase), source=0.0_pReal) - if (any(numerics_integrator == 5_pInt)) & - allocate(plasticState(p)%RKCK45dotState (6,sizeDotState,NipcMyPhase),source=0.0_pReal) + call material_allocatePlasticState(p,NipcMyPhase,sizeState,sizeDotState,0_pInt, & + prm%totalNslip,prm%totalNtwin,prm%totalNtrans) + plasticState(p)%sizePostResults = sum(plastic_dislotwin_sizePostResult(:,phase_plasticityInstance(p))) ! ToDo: do later on offset_slip = 2_pInt*plasticState(p)%nslip From 2ce287655674238f7c47938edef44e602edc9e2a Mon Sep 17 00:00:00 2001 From: Test User Date: Wed, 21 Nov 2018 00:22:54 +0100 Subject: [PATCH 113/143] [skip ci] updated version information after successful test of v2.0.2-935-g860aeebb --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 59c13ecfd..a30f916ee 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-933-ge9bf0824 +v2.0.2-935-g860aeebb From 98c85bf4654b04bc042522e85bce900131123923 Mon Sep 17 00:00:00 2001 From: Test User Date: Wed, 21 Nov 2018 08:33:11 +0100 Subject: [PATCH 114/143] [skip ci] updated version information after successful test of v2.0.2-949-g9b6ac2fd --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 59c13ecfd..84c7a3552 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-933-ge9bf0824 +v2.0.2-949-g9b6ac2fd From 7663d20b562a3f3007662101f084fd4034e83a6a Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Wed, 21 Nov 2018 17:51:38 -0500 Subject: [PATCH 115/143] adopted orientation conventions and mathematics from Rowenhorst -- tests should now pass... --- lib/damask/orientation.py | 181 +++++++++++++------------------------- 1 file changed, 61 insertions(+), 120 deletions(-) diff --git a/lib/damask/orientation.py b/lib/damask/orientation.py index cec7080e4..d0e549b4b 100644 --- a/lib/damask/orientation.py +++ b/lib/damask/orientation.py @@ -27,15 +27,22 @@ class Rodrigues: # ****************************************************************************************** class Quaternion: - """ + u""" Orientation represented as unit quaternion. - All methods and naming conventions based on http://www.euclideanspace.com/maths/algebra/realNormedAlgebra/quaternions. + All methods and naming conventions based on Rowenhorst_etal2015 + Convention 1: coordinate frames are right-handed + Convention 2: a rotation angle ω is taken to be positive for a counterclockwise rotation + when viewing from the end point of the rotation axis unit vector towards the origin + Convention 3: rotations will be interpreted in the passive sense + Convention 4: Euler angle triplets are implemented using the Bunge convention, + with the angular ranges as [0, 2π],[0, π],[0, 2π] + Convention 5: the rotation angle ω is limited to the interval [0, π] w is the real part, (x, y, z) are the imaginary parts. - Representation of rotation is in ACTIVE form! - (Derived directly or through angleAxis, Euler angles, or active matrix) - Vector "a" (defined in coordinate system "A") is actively rotated to new coordinates "b". + + Vector "a" (defined in coordinate system "A") is passively rotated + resulting in new coordinates "b" when expressed in system "B". b = Q * a b = np.dot(Q.asMatrix(),a) """ @@ -309,10 +316,12 @@ class Quaternion: return np.outer([i for i in self],[i for i in self]) def asMatrix(self): - return np.array( - [[1.0-2.0*(self.y*self.y+self.z*self.z), 2.0*(self.x*self.y-self.z*self.w), 2.0*(self.x*self.z+self.y*self.w)], - [ 2.0*(self.x*self.y+self.z*self.w), 1.0-2.0*(self.x*self.x+self.z*self.z), 2.0*(self.y*self.z-self.x*self.w)], - [ 2.0*(self.x*self.z-self.y*self.w), 2.0*(self.x*self.w+self.y*self.z), 1.0-2.0*(self.x*self.x+self.y*self.y)]]) + qbarhalf = 0.5*(self.w**2 - self.x**2 - self.y**2 - self.z**2) + return 2.0*np.array( + [[ qbarhalf + self.x**2 , self.x*self.y - self.w*self.z, self.x*self.z + self.w*self.y], + [ self.x*self.y + self.w*self.z, qbarhalf + self.y**2 , self.y*self.z - self.w*self.x], + [ self.x*self.z - self.w*self.y, self.y*self.z + self.w*self.x, qbarhalf + self.z**2 ], + ]) def asAngleAxis(self, degrees = False): @@ -335,52 +344,23 @@ class Quaternion: return np.inf*np.ones(3) if self.w == 0.0 else np.array([self.x, self.y, self.z])/self.w def asEulers(self, - type = "bunge", - degrees = False, - standardRange = False): - """ - Orientation as Bunge-Euler angles. + degrees = False): + """Orientation as Bunge-Euler angles.""" + q03 = self.w**2+self.z**2 + q12 = self.x**2+self.y**2 + chi = np.sqrt(q03*q12) + + if abs(chi) < 1e-10 and abs(q12) < 1e-10: + eulers = np.array([math.atan2(-2*self.w*self.z,self.w**2-self.z**2),0,0]) + elif abs(chi) < 1e-10 and abs(q03) < 1e-10: + eulers = np.array([math.atan2( 2*self.x*self.y,self.x**2-self.y**2),np.pi,0]) + else: + eulers = np.array([math.atan2((self.x*self.z-self.w*self.y)/chi,(-self.w*self.x-self.y*self.z)/chi), + math.atan2(2*chi,q03-q12), + math.atan2((self.w*self.y+self.x*self.z)/chi,( self.y*self.z-self.w*self.x)/chi), + ]) - Conversion of ACTIVE rotation to Euler angles taken from: - Melcher, A.; Unser, A.; Reichhardt, M.; Nestler, B.; Poetschke, M.; Selzer, M. - Conversion of EBSD data by a quaternion based algorithm to be used for grain structure simulations - Technische Mechanik 30 (2010) pp 401--413. - """ - angles = [0.0,0.0,0.0] - - if type.lower() == 'bunge' or type.lower() == 'zxz': - if abs(self.x) < 1e-4 and abs(self.y) < 1e-4: - x = self.w**2 - self.z**2 - y = 2.*self.w*self.z - angles[0] = math.atan2(y,x) - elif abs(self.w) < 1e-4 and abs(self.z) < 1e-4: - x = self.x**2 - self.y**2 - y = 2.*self.x*self.y - angles[0] = math.atan2(y,x) - angles[1] = math.pi - else: - chi = math.sqrt((self.w**2 + self.z**2)*(self.x**2 + self.y**2)) - - x = (self.w * self.x - self.y * self.z)/2./chi - y = (self.w * self.y + self.x * self.z)/2./chi - angles[0] = math.atan2(y,x) - - x = self.w**2 + self.z**2 - (self.x**2 + self.y**2) - y = 2.*chi - angles[1] = math.atan2(y,x) - - x = (self.w * self.x + self.y * self.z)/2./chi - y = (self.z * self.x - self.y * self.w)/2./chi - angles[2] = math.atan2(y,x) - - if standardRange: - angles[0] %= 2*math.pi - if angles[1] < 0.0: - angles[1] += math.pi - angles[2] *= -1.0 - angles[2] %= 2*math.pi - - return np.degrees(angles) if degrees else angles + return np.degrees(eulers) if degrees else eulers # # Static constructors @@ -408,7 +388,7 @@ class Quaternion: halfangle = math.atan(np.linalg.norm(rodrigues)) c = math.cos(halfangle) w = c - x,y,z = c*rodrigues + x,y,z = rodrigues/c return cls([w,x,y,z]) @@ -431,24 +411,19 @@ class Quaternion: @classmethod def fromEulers(cls, eulers, - type = 'Bunge', degrees = False): if not isinstance(eulers, np.ndarray): eulers = np.array(eulers,dtype='d') eulers = np.radians(eulers) if degrees else eulers - c = np.cos(0.5 * eulers) - s = np.sin(0.5 * eulers) + sigma = 0.5*(eulers[0]+eulers[2]) + delta = 0.5*(eulers[0]-eulers[2]) + c = np.cos(0.5*eulers[1]) + s = np.sin(0.5*eulers[1]) - if type.lower() == 'bunge' or type.lower() == 'zxz': - w = c[0] * c[1] * c[2] - s[0] * c[1] * s[2] - x = c[0] * s[1] * c[2] + s[0] * s[1] * s[2] - y = - c[0] * s[1] * s[2] + s[0] * s[1] * c[2] - z = c[0] * c[1] * s[2] + s[0] * c[1] * c[2] - else: - w = c[0] * c[1] * c[2] - s[0] * s[1] * s[2] - x = s[0] * s[1] * c[2] + c[0] * c[1] * s[2] - y = s[0] * c[1] * c[2] + c[0] * s[1] * s[2] - z = c[0] * s[1] * c[2] - s[0] * c[1] * s[2] + w = c * np.cos(sigma) + x = -s * np.cos(delta) + y = -s * np.sin(delta) + z = -c * np.sin(sigma) return cls([w,x,y,z]) @@ -460,49 +435,16 @@ class Quaternion: if m.shape != (3,3) and np.prod(m.shape) == 9: m = m.reshape(3,3) - tr = np.trace(m) - if tr > 1e-8: - s = math.sqrt(tr + 1.0)*2.0 + w = 0.5*math.sqrt(1.+m[0,0]+m[1,1]+m[2,2]) + x = 0.5*math.sqrt(1.+m[0,0]-m[1,1]-m[2,2]) + y = 0.5*math.sqrt(1.-m[0,0]+m[1,1]-m[2,2]) + z = 0.5*math.sqrt(1.-m[0,0]-m[1,1]+m[2,2]) - return cls( - [ s*0.25, - (m[2,1] - m[1,2])/s, - (m[0,2] - m[2,0])/s, - (m[1,0] - m[0,1])/s, - ]) + x *= -1 if m[2,1] < m[1,2] else 1 + y *= -1 if m[0,2] < m[2,0] else 1 + z *= -1 if m[1,0] < m[0,1] else 1 - elif m[0,0] > m[1,1] and m[0,0] > m[2,2]: - t = m[0,0] - m[1,1] - m[2,2] + 1.0 - s = 2.0*math.sqrt(t) - - return cls( - [ (m[2,1] - m[1,2])/s, - s*0.25, - (m[0,1] + m[1,0])/s, - (m[2,0] + m[0,2])/s, - ]) - - elif m[1,1] > m[2,2]: - t = -m[0,0] + m[1,1] - m[2,2] + 1.0 - s = 2.0*math.sqrt(t) - - return cls( - [ (m[0,2] - m[2,0])/s, - (m[0,1] + m[1,0])/s, - s*0.25, - (m[1,2] + m[2,1])/s, - ]) - - else: - t = -m[0,0] - m[1,1] + m[2,2] + 1.0 - s = 2.0*math.sqrt(t) - - return cls( - [ (m[1,0] - m[0,1])/s, - (m[2,0] + m[0,2])/s, - (m[1,2] + m[2,1])/s, - s*0.25, - ]) + return cls( np.array([w,x,y,z])/math.sqrt(w**2 + x**2 + y**2 + z**2)) @classmethod @@ -663,7 +605,7 @@ class Symmetry: quaternion, who = []): """List of symmetrically equivalent quaternions based on own symmetry.""" - return [quaternion*q for q in self.symmetryQuats(who)] + return [q*quaternion for q in self.symmetryQuats(who)] def inFZ(self,R): @@ -829,7 +771,7 @@ class Orientation: else: self.quaternion = Quaternion.fromRandom(randomSeed=random) elif isinstance(Eulers, np.ndarray) and Eulers.shape == (3,): # based on given Euler angles - self.quaternion = Quaternion.fromEulers(Eulers,type='bunge',degrees=degrees) + self.quaternion = Quaternion.fromEulers(Eulers,degrees=degrees) elif isinstance(matrix, np.ndarray) : # based on given rotation matrix self.quaternion = Quaternion.fromMatrix(matrix) elif isinstance(angleAxis, np.ndarray) and angleAxis.shape == (4,): # based on given angle and rotation axis @@ -855,16 +797,15 @@ class Orientation: return 'Symmetry: %s\n' % (self.symmetry) + \ 'Quaternion: %s\n' % (self.quaternion) + \ 'Matrix:\n%s\n' % ( '\n'.join(['\t'.join(map(str,self.asMatrix()[i,:])) for i in range(3)]) ) + \ - 'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers('bunge',degrees=True))) ) + 'Bunge Eulers / deg: %s' % ('\t'.join(map(str,self.asEulers(degrees=True))) ) def asQuaternion(self): return self.quaternion.asList() def asEulers(self, - type = 'bunge', degrees = False, - standardRange = False): - return self.quaternion.asEulers(type, degrees, standardRange) + ): + return self.quaternion.asEulers(degrees) eulers = property(asEulers) def asRodrigues(self): @@ -912,13 +853,13 @@ class Orientation: """ if self.symmetry != other.symmetry: raise TypeError('disorientation between different symmetry classes not supported yet.') - misQ = self.quaternion.conjugated()*other.quaternion + misQ = other.quaternion*self.quaternion.conjugated() mySymQs = self.symmetry.symmetryQuats() if SST else self.symmetry.symmetryQuats()[:1] # take all or only first sym operation otherSymQs = other.symmetry.symmetryQuats() for i,sA in enumerate(mySymQs): for j,sB in enumerate(otherSymQs): - theQ = sA.conjugated()*misQ*sB + theQ = sB*misQ*sA.conjugated() for k in range(2): theQ.conjugate() breaker = self.symmetry.inFZ(theQ) \ @@ -939,10 +880,10 @@ class Orientation: """Axis rotated according to orientation (using crystal symmetry to ensure location falls into SST)""" if SST: # pole requested to be within SST for i,q in enumerate(self.symmetry.equivalentQuaternions(self.quaternion)): # test all symmetric equivalent quaternions - pole = q.conjugated()*axis # align crystal direction to axis + pole = q*axis # align crystal direction to axis if self.symmetry.inSST(pole,proper): break # found SST version else: - pole = self.quaternion.conjugated()*axis # align crystal direction to axis + pole = self.quaternion*axis # align crystal direction to axis return (pole,i if SST else 0) @@ -951,7 +892,7 @@ class Orientation: color = np.zeros(3,'d') for q in self.symmetry.equivalentQuaternions(self.quaternion): - pole = q.conjugated()*axis # align crystal direction to axis + pole = q*axis # align crystal direction to axis inSST,color = self.symmetry.inSST(pole,color=True) if inSST: break From f7694cd8564f68e704d6ac7d97369ae5d0a3ead5 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 22 Nov 2018 07:49:35 +0100 Subject: [PATCH 116/143] activate testing for post processing again was accidently commented out, will most problably fail because of changes to orientation class --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index ee5a63d34..9124a7222 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit ee5a63d34abbac295207354fddf30e6d7cc258cd +Subproject commit 9124a7222009c0f045490aa825886fa2de95de19 From 1f9b21c3d835f0fad3f19ff26fea770db67049b2 Mon Sep 17 00:00:00 2001 From: Test User Date: Thu, 22 Nov 2018 14:19:55 +0100 Subject: [PATCH 117/143] [skip ci] updated version information after successful test of v2.0.2-955-g7663d20b --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index a30f916ee..de7fb081d 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-935-g860aeebb +v2.0.2-955-g7663d20b From 9b82b7fadd944d768d17b591e3b81468ee800015 Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Thu, 22 Nov 2018 11:51:53 -0500 Subject: [PATCH 118/143] removed obsolete keyword "Bunge" from asEulers() method --- PRIVATE | 2 +- processing/post/addOrientations.py | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/PRIVATE b/PRIVATE index 9124a7222..dd70ef078 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 9124a7222009c0f045490aa825886fa2de95de19 +Subproject commit dd70ef078e0b4422b4bf81030e896a7bd098e841 diff --git a/processing/post/addOrientations.py b/processing/post/addOrientations.py index 22fe80c2e..b4bda4770 100755 --- a/processing/post/addOrientations.py +++ b/processing/post/addOrientations.py @@ -169,7 +169,7 @@ for name in filenames: for output in options.output: if output == 'quaternion': table.data_append(o.asQuaternion()) elif output == 'rodrigues': table.data_append(o.asRodrigues()) - elif output == 'eulers': table.data_append(o.asEulers('Bunge', degrees=options.degrees)) + elif output == 'eulers': table.data_append(o.asEulers(degrees=options.degrees)) outputAlive = table.data_write() # output processed line # ------------------------------------------ output finalization ----------------------------------- From 76accdeaf28347d66ceca8744cff2aa357a4f2e2 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 22 Nov 2018 18:45:01 +0100 Subject: [PATCH 119/143] all orientations are passive now .conjugated() not needed anymore. Rest is polishing --- processing/post/addSchmidfactors.py | 26 +++++++++++++------------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/processing/post/addSchmidfactors.py b/processing/post/addSchmidfactors.py index be1d49bbd..9c5e9b0b4 100755 --- a/processing/post/addSchmidfactors.py +++ b/processing/post/addSchmidfactors.py @@ -190,27 +190,27 @@ if np.sum(input) != 1: parser.error('needs exactly one input format.') (options.quaternion,4,'quaternion'), ][np.where(input)[0][0]] # select input label that was requested -c_direction = np.zeros((len(slipSystems[options.lattice]),3),'f') -c_normal = np.zeros_like(c_direction) +slip_direction = np.zeros((len(slipSystems[options.lattice]),3),'f') +slip_normal = np.zeros_like(slip_direction) if options.lattice in latticeChoices[:2]: - c_direction = slipSystems[options.lattice][:,:3] - c_normal = slipSystems[options.lattice][:,3:] + slip_direction = slipSystems[options.lattice][:,:3] + slip_normal = slipSystems[options.lattice][:,3:] elif options.lattice == latticeChoices[2]: # convert 4 Miller index notation of hex to orthogonal 3 Miller index notation - for i in range(len(c_direction)): - c_direction[i] = np.array([slipSystems['hex'][i,0]*1.5, + for i in range(len(slip_direction)): + slip_direction[i] = np.array([slipSystems['hex'][i,0]*1.5, (slipSystems['hex'][i,0] + 2.*slipSystems['hex'][i,1])*0.5*np.sqrt(3), slipSystems['hex'][i,3]*options.CoverA, ]) - c_normal[i] = np.array([slipSystems['hex'][i,4], + slip_normal[i] = np.array([slipSystems['hex'][i,4], (slipSystems['hex'][i,4] + 2.*slipSystems['hex'][i,5])/np.sqrt(3), slipSystems['hex'][i,7]/options.CoverA, ]) -c_direction /= np.tile(np.linalg.norm(c_direction,axis=1),(3,1)).T -c_normal /= np.tile(np.linalg.norm(c_normal ,axis=1),(3,1)).T +slip_direction /= np.tile(np.linalg.norm(slip_direction,axis=1),(3,1)).T +slip_normal /= np.tile(np.linalg.norm(slip_normal ,axis=1),(3,1)).T # --- loop over input files ------------------------------------------------------------------------ @@ -244,7 +244,7 @@ for name in filenames: .format( id = i+1, normal = theNormal, direction = theDirection, - ) for i,(theNormal,theDirection) in enumerate(zip(c_normal,c_direction))]) + ) for i,(theNormal,theDirection) in enumerate(zip(slip_normal,slip_direction))]) table.head_write() # ------------------------------------------ process data ------------------------------------------ @@ -262,9 +262,9 @@ for name in filenames: elif inputtype == 'quaternion': o = damask.Orientation(quaternion = np.array(list(map(float,table.data[column:column+4]))),) - rotForce = o.quaternion.conjugated() * force - rotNormal = o.quaternion.conjugated() * normal - table.data_append(np.abs(np.sum(c_direction*rotForce,axis=1) * np.sum(c_normal*rotNormal,axis=1))) + + table.data_append( np.abs( np.sum(slip_direction * (o.quaternion * force) ,axis=1) \ + * np.sum(slip_normal * (o.quaternion * normal),axis=1))) outputAlive = table.data_write() # output processed line # ------------------------------------------ output finalization ----------------------------------- From c0ad496764b208343866d5b359f37c436d9039a7 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 22 Nov 2018 23:13:49 +0100 Subject: [PATCH 120/143] eigenvalue solver seems to depent on python version --- processing/post/addMises.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/processing/post/addMises.py b/processing/post/addMises.py index 55cf6552e..4719c2e35 100755 --- a/processing/post/addMises.py +++ b/processing/post/addMises.py @@ -1,4 +1,4 @@ -#!/usr/bin/env python3 +#!/usr/bin/env python2.7 # -*- coding: UTF-8 no BOM -*- import os,sys,math From b0cf956e24247f81c8e5a5c8d5145859b8f96757 Mon Sep 17 00:00:00 2001 From: Test User Date: Fri, 23 Nov 2018 07:19:03 +0100 Subject: [PATCH 121/143] [skip ci] updated version information after successful test of v2.0.2-961-gc0ad4967 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index de7fb081d..38c9df1d3 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-955-g7663d20b +v2.0.2-961-gc0ad4967 From 9760b138c240d839f9145445d09513a04c9e1f23 Mon Sep 17 00:00:00 2001 From: Franz Roters Date: Fri, 23 Nov 2018 15:02:35 +0100 Subject: [PATCH 122/143] added link lost during merge --- src/DAMASK_marc2018.1.f90 | 1 + 1 file changed, 1 insertion(+) create mode 120000 src/DAMASK_marc2018.1.f90 diff --git a/src/DAMASK_marc2018.1.f90 b/src/DAMASK_marc2018.1.f90 new file mode 120000 index 000000000..2c5bec706 --- /dev/null +++ b/src/DAMASK_marc2018.1.f90 @@ -0,0 +1 @@ +DAMASK_marc.f90 \ No newline at end of file From f0359d36b6fbf1443ffcaa5b2feba25e4101cd0a Mon Sep 17 00:00:00 2001 From: Yi-Chin Yang Date: Fri, 23 Nov 2018 18:53:50 +0100 Subject: [PATCH 123/143] adding FCC {110}<110> family --- src/lattice.f90 | 69 +++++++++++++++++++++++++++++++++++++------------ 1 file changed, 52 insertions(+), 17 deletions(-) diff --git a/src/lattice.f90 b/src/lattice.f90 index 996852a79..f1b555ee0 100644 --- a/src/lattice.f90 +++ b/src/lattice.f90 @@ -72,7 +72,7 @@ module lattice !-------------------------------------------------------------------------------------------------- ! face centered cubic integer(pInt), dimension(LATTICE_maxNslipFamily), parameter, public :: & - LATTICE_fcc_NslipSystem = int([12, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc + LATTICE_fcc_NslipSystem = int([12, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0],pInt) !< # of slip systems per family for fcc integer(pInt), dimension(LATTICE_maxNtwinFamily), parameter, public :: & LATTICE_fcc_NtwinSystem = int([12, 0, 0, 0],pInt) !< # of twin systems per family for fcc @@ -104,11 +104,19 @@ module lattice 1, 1, 0, 1,-1,-1, & ! A6 0, 1, 1, -1, 1,-1, & ! D1 1, 0,-1, -1, 1,-1, & ! D4 - -1,-1, 0, -1, 1,-1 & ! D6 + -1,-1, 0, -1, 1,-1, & ! D6 + ! Slip system <110>{110} + 1, 1, 0, 1,-1, 0, & + 1,-1, 0, 1, 1, 0, & + 1, 0, 1, 1, 0,-1, & + 1, 0,-1, 1, 0, 1, & + 0, 1, 1, 0, 1,-1, & + 0, 1,-1, 0, 1, 1 & ],pReal),shape(LATTICE_FCC_SYSTEMSLIP)) !< Slip system <110>{111} directions. Sorted according to Eisenlohr & Hantcherli - character(len=*), dimension(1), parameter, public :: LATTICE_FCC_SLIPFAMILY_NAME = & - ['<0 1 -1>{1 1 1}'] + character(len=*), dimension(2), parameter, public :: LATTICE_FCC_SLIPFAMILY_NAME = & + ['<0 1 -1>{1 1 1}', & + '<0 1 -1>{0 1 1}'] real(pReal), dimension(3+3,LATTICE_fcc_Ntwin), parameter, private :: & LATTICE_fcc_systemTwin = reshape(real( [& @@ -166,25 +174,38 @@ module lattice integer(pInt), dimension(LATTICE_fcc_Nslip,lattice_fcc_Nslip), parameter, public :: & LATTICE_fcc_interactionSlipSlip = reshape(int( [& - 1,2,2,4,6,5,3,5,5,4,5,6, & ! ---> slip - 2,1,2,6,4,5,5,4,6,5,3,5, & ! | - 2,2,1,5,5,3,5,6,4,6,5,4, & ! | - 4,6,5,1,2,2,4,5,6,3,5,5, & ! v slip - 6,4,5,2,1,2,5,3,5,5,4,6, & - 5,5,3,2,2,1,6,5,4,5,6,4, & - 3,5,5,4,5,6,1,2,2,4,6,5, & - 5,4,6,5,3,5,2,1,2,6,4,5, & - 5,6,4,6,5,4,2,2,1,5,5,3, & - 4,5,6,3,5,5,4,6,5,1,2,2, & - 5,3,5,5,4,6,6,4,5,2,1,2, & - 6,5,4,5,6,4,5,5,3,2,2,1 & - ],pInt),shape(LATTICE_FCC_INTERACTIONSLIPSLIP),order=[2,1]) !< Slip--slip interaction types for fcc + 1, 2, 2, 4, 6, 5, 3, 5, 5, 4, 5, 6, 9,10, 9,10,11,12, & ! ---> slip + 2, 1, 2, 6, 4, 5, 5, 4, 6, 5, 3, 5, 9,10,11,12, 9,10, & ! | + 2, 2, 1, 5, 5, 3, 5, 6, 4, 6, 5, 4, 11,12, 9,10, 9,10, & ! | + 4, 6, 5, 1, 2, 2, 4, 5, 6, 3, 5, 5, 9,10,10, 9,12,11, & ! v slip + 6, 4, 5, 2, 1, 2, 5, 3, 5, 5, 4, 6, 9,10,12,11,10, 9, & + 5, 5, 3, 2, 2, 1, 6, 5, 4, 5, 6, 4, 11,12,10, 9,10, 9, & + 3, 5, 5, 4, 5, 6, 1, 2, 2, 4, 6, 5, 10, 9,10, 9,11,12, & + 5, 4, 6, 5, 3, 5, 2, 1, 2, 6, 4, 5, 10, 9,12,11, 9,10, & + 5, 6, 4, 6, 5, 4, 2, 2, 1, 5, 5, 3, 12,11,10, 9, 9,10, & + 4, 5, 6, 3, 5, 5, 4, 6, 5, 1, 2, 2, 10, 9, 9,10,12,11, & + 5, 3, 5, 5, 4, 6, 6, 4, 5, 2, 1, 2, 10, 9,11,12,10, 9, & + 6, 5, 4, 5, 6, 4, 5, 5, 3, 2, 2, 1, 12,11, 9,10,10, 9, & + + 9, 9,11, 9, 9,11,10,10,12,10,10,12, 1, 7, 8, 8, 8, 8, & + 10,10,12,10,10,12, 9, 9,11, 9, 9,11, 7, 1, 8, 8, 8, 8, & + 9,11, 9,10,12,10,10,12,10, 9,11, 9, 8, 8, 1, 7, 8, 8, & + 10,12,10, 9,11, 9, 9,11, 9,10,12,10, 8, 8, 7, 1, 8, 8, & + 11, 9, 9,12,10,10,11, 9, 9,12,10,10, 8, 8, 8, 8, 1, 7, & + 12,10,10,11, 9, 9,12,10,10,11, 9, 9, 8, 8, 8, 8, 7, 1 & + ],pInt),[LATTICE_fcc_Nslip,LATTICE_fcc_Nslip],order=[2,1]) !< Slip--slip interaction types for fcc !< 1: self interaction !< 2: coplanar interaction !< 3: collinear interaction !< 4: Hirth locks !< 5: glissile junctions !< 6: Lomer locks + !< 7: crossing (similar to Hirth locks in <110>{111} for two {110} planes) + !< 8: similar to Lomer locks in <110>{111} for two {110} planes + !< 9: similar to Lomer locks in <110>{111} btw one {110} and one {111} plane + !<10: similar to glissile junctions in <110>{111} btw one {110} and one {111} plane + !<11: crossing btw one {110} and one {111} plane + !<12: collinear btw one {110} and one {111} plane integer(pInt), dimension(LATTICE_fcc_Nslip,LATTICE_fcc_Ntwin), parameter, public :: & LATTICE_fcc_interactionSlipTwin = reshape(int( [& 1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin @@ -199,6 +220,13 @@ module lattice 3,3,3,2,2,2,3,3,3,1,1,1, & 2,2,2,3,3,3,3,3,3,1,1,1, & 3,3,3,3,3,3,2,2,2,1,1,1 & + + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4 & ],pInt),shape(LATTICE_FCC_INTERACTIONSLIPTWIN),order=[2,1]) !< Slip--twin interaction types for fcc !< 1: coplanar interaction !< 2: screw trace between slip system and twin habit plane (easy cross slip) @@ -236,6 +264,13 @@ module lattice 3,3,3,2,2,2,3,3,3,1,1,1, & 2,2,2,3,3,3,3,3,3,1,1,1, & 3,3,3,3,3,3,2,2,2,1,1,1 & + + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4, & + 4,4,4,4,4,4,4,4,4,4,4,4 & ],pInt),shape(LATTICE_FCCTOHEX_INTERACTIONSLIPTRANS),order=[2,1]) !< Slip--trans interaction types for fcc integer(pInt), dimension(LATTICE_fcc_Ntrans,LATTICE_fcc_Nslip), parameter, public :: & From efe90f86e294fe6110527e844836de0797073e0a Mon Sep 17 00:00:00 2001 From: Yi-Chin Yang Date: Fri, 23 Nov 2018 19:00:37 +0100 Subject: [PATCH 124/143] missing comma --- src/lattice.f90 | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/lattice.f90 b/src/lattice.f90 index f1b555ee0..2b2a5641d 100644 --- a/src/lattice.f90 +++ b/src/lattice.f90 @@ -219,7 +219,7 @@ module lattice 3,3,3,3,3,3,1,1,1,2,2,2, & 3,3,3,2,2,2,3,3,3,1,1,1, & 2,2,2,3,3,3,3,3,3,1,1,1, & - 3,3,3,3,3,3,2,2,2,1,1,1 & + 3,3,3,3,3,3,2,2,2,1,1,1, & 4,4,4,4,4,4,4,4,4,4,4,4, & 4,4,4,4,4,4,4,4,4,4,4,4, & @@ -263,7 +263,7 @@ module lattice 3,3,3,3,3,3,1,1,1,2,2,2, & 3,3,3,2,2,2,3,3,3,1,1,1, & 2,2,2,3,3,3,3,3,3,1,1,1, & - 3,3,3,3,3,3,2,2,2,1,1,1 & + 3,3,3,3,3,3,2,2,2,1,1,1, & 4,4,4,4,4,4,4,4,4,4,4,4, & 4,4,4,4,4,4,4,4,4,4,4,4, & From 1d936fc5f2acf0c64cf53f56ce03ba52feb77528 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 24 Nov 2018 09:53:18 +0100 Subject: [PATCH 125/143] simple variable rename causes problem with GCC 7.3 probalby a compiler bug --- src/material.f90 | 17 ++++++++--------- 1 file changed, 8 insertions(+), 9 deletions(-) diff --git a/src/material.f90 b/src/material.f90 index 47b42efa5..c9dd28079 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -387,9 +387,8 @@ subroutine material_init() i, & !< integration point number e !< element number integer(pInt), dimension(:), allocatable :: & - PhaseCounter, & - CrystalliteCounter, & - HomogenizationCounter + CounterPhase, & + CounterHomogenization myDebug = debug_level(debug_material) @@ -488,20 +487,20 @@ subroutine material_init() ! END DEPRECATED allocate(material_homogenizationAt,source=mesh_homogenizationAt) - allocate(PhaseCounter (size(config_phase)), source=0_pInt) - allocate(HomogenizationCounter(size(config_homogenization)),source=0_pInt) + allocate(CounterPhase (size(config_phase)), source=0_pInt) + allocate(CounterHomogenization(size(config_homogenization)),source=0_pInt) ! BEGIN DEPRECATED do e = 1_pInt,mesh_NcpElems myHomog = mesh_homogenizationAt(e) do i = 1_pInt, mesh_NipsPerElem - HomogenizationCounter(myHomog) = HomogenizationCounter(myHomog) + 1_pInt - mappingHomogenization(1:2,i,e) = [HomogenizationCounter(myHomog),myHomog] + CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1_pInt + mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),myHomog] do g = 1_pInt,homogenization_Ngrains(myHomog) myPhase = material_phase(g,i,e) - PhaseCounter(myPhase) = PhaseCounter(myPhase)+1_pInt ! not distinguishing between instances of same phase + CounterPhase(myPhase) = CounterPhase(myPhase)+1_pInt ! not distinguishing between instances of same phase phaseAt(g,i,e) = myPhase - phasememberAt(g,i,e) = PhaseCounter(myPhase) + phasememberAt(g,i,e) = CounterPhase(myPhase) enddo enddo enddo From 7c1e2e256c4cb588d2e9a48f844a09d7ff185748 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 24 Nov 2018 10:07:47 +0100 Subject: [PATCH 126/143] os.urandom returns byte, not string in python3 --- processing/pre/seeds_fromRandom.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/processing/pre/seeds_fromRandom.py b/processing/pre/seeds_fromRandom.py index c1a7cbd4d..6ec221e25 100755 --- a/processing/pre/seeds_fromRandom.py +++ b/processing/pre/seeds_fromRandom.py @@ -127,7 +127,7 @@ options.fraction = np.array(options.fraction) options.grid = np.array(options.grid) gridSize = options.grid.prod() -if options.randomSeed is None: options.randomSeed = int(os.urandom(4).encode('hex'), 16) +if options.randomSeed is None: options.randomSeed = int(os.urandom(4).hex(), 16) np.random.seed(options.randomSeed) # init random generators random.seed(options.randomSeed) From c317ea95ed2017f9609bf100c2afb8d5bfdf1eab Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 24 Nov 2018 10:08:42 +0100 Subject: [PATCH 127/143] averageDown was not tested but works with python3 --- .gitlab-ci.yml | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 6950d4c38..7af6f6139 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -151,6 +151,13 @@ Spectral_geometryPacking: - release ################################################################################################### +Post_AverageDown: + stage: postprocessing + script: averageDown/test.py + except: + - master + - release + Post_General: stage: postprocessing script: PostProcessing/test.py From 53eab5e3cfad7432a5da56995d173aa2ba8b2f79 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 24 Nov 2018 10:45:49 +0100 Subject: [PATCH 128/143] using updated tests --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index dd70ef078..8b171cf15 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit dd70ef078e0b4422b4bf81030e896a7bd098e841 +Subproject commit 8b171cf15da322c5cd1943144a0f511d56e42fa2 From c9714233c1ac4604d63d01e3895304e74c6474b2 Mon Sep 17 00:00:00 2001 From: Test User Date: Sat, 24 Nov 2018 14:47:24 +0100 Subject: [PATCH 129/143] [skip ci] updated version information after successful test of v2.0.2-970-g1d936fc5 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 38c9df1d3..d1e776990 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-961-gc0ad4967 +v2.0.2-970-g1d936fc5 From 497287d90db0d113f16704d593a013f9efce4956 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sat, 24 Nov 2018 15:01:28 +0100 Subject: [PATCH 130/143] [skip ci] first look for gmake, then for make allows to compile on systems where GNU make (gmake) is not the default. --- CMakeLists.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CMakeLists.txt b/CMakeLists.txt index f742034e2..3aa49cd7a 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -47,7 +47,7 @@ linker: # CMake will execute each target in the ${petsc_config_makefile} # to acquire corresponding PETSc Variables. -find_program (MAKE_EXECUTABLE NAMES make gmake) +find_program (MAKE_EXECUTABLE NAMES gmake make) # Find the PETSc includes directory settings execute_process (COMMAND ${MAKE_EXECUTABLE} --no-print-directory -f ${petsc_config_makefile} "includes" RESULT_VARIABLE PETSC_INCLUDES_RETURN From 4e6f82f01f4a438d5c69971b12e451b2029df470 Mon Sep 17 00:00:00 2001 From: Test User Date: Sun, 25 Nov 2018 01:16:15 +0100 Subject: [PATCH 131/143] [skip ci] updated version information after successful test of v2.0.2-976-gde4873e9 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index d1e776990..7664f22a5 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-970-g1d936fc5 +v2.0.2-976-gde4873e9 From f57c982ac7a0dbf4a565e1cd48727c061ac84465 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 25 Nov 2018 10:34:42 +0100 Subject: [PATCH 132/143] tests for thermal and orientation conversion orientation conversion need further investigation --- .gitlab-ci.yml | 14 ++++++++++++++ PRIVATE | 2 +- 2 files changed, 15 insertions(+), 1 deletion(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 7af6f6139..06f4356b0 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -200,6 +200,13 @@ Post_ParaviewRelated: - master - release +Post_OrientationConversion: + stage: postprocessing + script: OrientationConversion/test.py + except: + - master + - release + ################################################################################################### Compile_Spectral_Intel: stage: compilePETScIntel @@ -250,6 +257,13 @@ Compile_Intel_Prepare: - release ################################################################################################### +Thermal: + stage: spectral + script: Thermal/test.py + except: + - master + - release + Spectral_PackedGeometry: stage: spectral script: Spectral_PackedGeometry/test.py diff --git a/PRIVATE b/PRIVATE index 8b171cf15..f3f684258 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 8b171cf15da322c5cd1943144a0f511d56e42fa2 +Subproject commit f3f68425831d9b84906448861077f27cffe37e57 From 5290a9ac83d049e29585cdd8327a53c34a9f678c Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 25 Nov 2018 11:34:35 +0100 Subject: [PATCH 133/143] test failed because of typo --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index f3f684258..7f22579bf 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit f3f68425831d9b84906448861077f27cffe37e57 +Subproject commit 7f22579bf986795e307c471834eeff0806d0ac84 From ab3c6f07ccd15f833f91ca19356a38145356b6d8 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 25 Nov 2018 15:16:21 +0100 Subject: [PATCH 134/143] tests should not rely on derived quantities --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index 7f22579bf..cf2e8104a 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 7f22579bf986795e307c471834eeff0806d0ac84 +Subproject commit cf2e8104a183a60ddec7ca05dd373ac44ecc5dd0 From e6f041ae23de205d02a1b35c9d642fea3fe69252 Mon Sep 17 00:00:00 2001 From: Test User Date: Sun, 25 Nov 2018 17:42:07 +0100 Subject: [PATCH 135/143] [skip ci] updated version information after successful test of v2.0.2-979-g5290a9ac --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 7664f22a5..f1b5f7fcb 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-976-gde4873e9 +v2.0.2-979-g5290a9ac From 2566cd9f6735e687b050a1e9e02cf44e65d7b3c4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 25 Nov 2018 19:49:06 +0100 Subject: [PATCH 136/143] typo in PRIVATE --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index cf2e8104a..2e0ab3e25 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit cf2e8104a183a60ddec7ca05dd373ac44ecc5dd0 +Subproject commit 2e0ab3e2564fea6ac3779623065b47dfc3261ef5 From 97eec27d92c2187153783b9e54cb1ba0c30ca137 Mon Sep 17 00:00:00 2001 From: Yi-Chin Yang Date: Sun, 25 Nov 2018 20:07:55 +0100 Subject: [PATCH 137/143] adding incompatible lattice.f90 to PRIVATE for future notice --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index dd70ef078..a72957d49 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit dd70ef078e0b4422b4bf81030e896a7bd098e841 +Subproject commit a72957d4939800580a153b4807d4cae309a22cb7 From 6c242693bae98763d6c5d2afe531e4b00b59202d Mon Sep 17 00:00:00 2001 From: Test User Date: Mon, 26 Nov 2018 00:32:37 +0100 Subject: [PATCH 138/143] [skip ci] updated version information after successful test of v2.0.2-983-g0a648459 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index f1b5f7fcb..939d675ec 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-979-g5290a9ac +v2.0.2-983-g0a648459 From 31571305ddb5b185b38d35a4897ccb0c22d71ba5 Mon Sep 17 00:00:00 2001 From: Yi-Chin Yang Date: Mon, 26 Nov 2018 16:13:08 +0100 Subject: [PATCH 139/143] adding test for non-octahedral slip family {110}<110> in fcc --- PRIVATE | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/PRIVATE b/PRIVATE index a72957d49..dcf914b80 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit a72957d4939800580a153b4807d4cae309a22cb7 +Subproject commit dcf914b80b9c5f219ba9d2a88bbd60d70da9621c From 876ec7e082e3ee995188420cf618d78d65e39192 Mon Sep 17 00:00:00 2001 From: Test User Date: Tue, 27 Nov 2018 09:14:34 +0100 Subject: [PATCH 140/143] [skip ci] updated version information after successful test of v2.0.2-1098-g1815d3c8 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 939d675ec..da57ae9fc 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-983-g0a648459 +v2.0.2-1098-g1815d3c8 From 65ff21577b0af12dfddb37eb727ec05cca56f0f4 Mon Sep 17 00:00:00 2001 From: Philip Eisenlohr Date: Fri, 30 Nov 2018 10:35:01 -0500 Subject: [PATCH 141/143] consistent output across all env/DAMASK scripts --- env/DAMASK.csh | 3 ++- env/DAMASK.sh | 1 + env/DAMASK.zsh | 1 + 3 files changed, 4 insertions(+), 1 deletion(-) diff --git a/env/DAMASK.csh b/env/DAMASK.csh index 07b4b6817..2e1dc979c 100644 --- a/env/DAMASK.csh +++ b/env/DAMASK.csh @@ -44,7 +44,6 @@ if ( $?prompt ) then echo "DAMASK $DAMASK_ROOT" echo "Spectral Solver $SOLVER" echo "Post Processing $PROCESSING" - echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" if ( $?PETSC_DIR) then echo "PETSc location $PETSC_DIR" endif @@ -52,8 +51,10 @@ if ( $?prompt ) then echo "MSC.Marc/Mentat $MSC_ROOT" endif echo + echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" echo `limit datasize` echo `limit stacksize` + echo endif setenv DAMASK_NUM_THREADS $DAMASK_NUM_THREADS diff --git a/env/DAMASK.sh b/env/DAMASK.sh index 663e9a4b3..e790ae3cc 100644 --- a/env/DAMASK.sh +++ b/env/DAMASK.sh @@ -88,6 +88,7 @@ if [ ! -z "$PS1" ]; then size=$(( 1024*$(ulimit -s) )); \ print('{:.4g} {}'.format(size / (1 << ((int(math.log(size,2) / 10) if size else 0) * 10)), \ ['bytes','KiB','MiB','GiB','TiB','EiB','ZiB'][int(math.log(size,2) / 10) if size else 0]))") + echo fi export DAMASK_NUM_THREADS diff --git a/env/DAMASK.zsh b/env/DAMASK.zsh index 43f682865..dbfde767d 100644 --- a/env/DAMASK.zsh +++ b/env/DAMASK.zsh @@ -81,6 +81,7 @@ if [ ! -z "$PS1" ]; then size=$(( 1024*$(ulimit -s) )); \ print('{:.4g} {}'.format(size / (1 << ((int(math.log(size,2) / 10) if size else 0) * 10)), \ ['bytes','KiB','MiB','GiB','TiB','EiB','ZiB'][int(math.log(size,2) / 10) if size else 0]))") + echo fi export DAMASK_NUM_THREADS From 186d107a06fe6df0910d53f80985fdcf70f1d38f Mon Sep 17 00:00:00 2001 From: Test User Date: Sat, 1 Dec 2018 02:40:49 +0100 Subject: [PATCH 142/143] [skip ci] updated version information after successful test of v2.0.2-1100-g65ff2157 --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index da57ae9fc..4687d2404 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-1098-g1815d3c8 +v2.0.2-1100-g65ff2157 From 7bb862f84ee92d19f93be7500eaffc96d6a9d416 Mon Sep 17 00:00:00 2001 From: Test User Date: Mon, 3 Dec 2018 11:31:52 +0100 Subject: [PATCH 143/143] [skip ci] updated version information after successful test of v2.0.2-1107-g17716b4f --- VERSION | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/VERSION b/VERSION index 4687d2404..85ef1a02a 100644 --- a/VERSION +++ b/VERSION @@ -1 +1 @@ -v2.0.2-1100-g65ff2157 +v2.0.2-1107-g17716b4f