diff --git a/src/CPFEM.f90 b/src/CPFEM.f90 index 58beb72a0..6647581e3 100644 --- a/src/CPFEM.f90 +++ b/src/CPFEM.f90 @@ -5,7 +5,6 @@ !-------------------------------------------------------------------------------------------------- module CPFEM use prec - use numerics use debug use FEsolving use math @@ -45,6 +44,13 @@ module CPFEM CPFEM_BACKUPJACOBIAN = 2_pInt**2_pInt, & CPFEM_RESTOREJACOBIAN = 2_pInt**3_pInt + type, private :: tNumerics + integer :: & + iJacoStiffness !< frequency of stiffness update + end type tNumerics + + type(tNumerics), private :: num + public :: & CPFEM_general, & CPFEM_initAll, & @@ -86,6 +92,9 @@ end subroutine CPFEM_initAll !-------------------------------------------------------------------------------------------------- subroutine CPFEM_init + class(tNode), pointer :: & + num_commercialFEM + write(6,'(/,a)') ' <<<+- CPFEM init -+>>>' flush(6) @@ -93,6 +102,13 @@ subroutine CPFEM_init allocate(CPFEM_dcsdE( 6,6,discretization_nIP,discretization_nElem), source= 0.0_pReal) allocate(CPFEM_dcsdE_knownGood(6,6,discretization_nIP,discretization_nElem), source= 0.0_pReal) +!------------------------------------------------------------------------------ +! read numerical parameters and do sanity check + num_commercialFEM => numerics_root%get('commercialFEM',defaultVal=emptyDict) + num%iJacoStiffness = num_commercialFEM%get_asInt('ijacostiffness',defaultVal=1) + if (num%iJacoStiffness < 1) call IO_error(301,ext_msg='iJacoStiffness') +!------------------------------------------------------------------------------ + if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) then write(6,'(a32,1x,6(i8,1x))') 'CPFEM_cs: ', shape(CPFEM_cs) write(6,'(a32,1x,6(i8,1x))') 'CPFEM_dcsdE: ', shape(CPFEM_dcsdE) @@ -125,21 +141,12 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS H integer(pInt) elCP, & ! crystal plasticity element number - i, j, k, l, m, n, ph, homog, mySource, & - iJacoStiffness !< frequency of stiffness update + i, j, k, l, m, n, ph, homog, mySource logical updateJaco ! flag indicating if Jacobian has to be updated real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress if terminallyIll ODD_JACOBIAN = 1e50_pReal !< return value for jacobian if terminallyIll - class(tNode), pointer :: & - num_commercialFEM - -!------------------------------------------------------------------------------ -! read numerical parameters and do sanity check - num_commercialFEM => numerics_root%get('commercialFEM',defaultVal=emptyDict) - iJacoStiffness = num_commercialFEM%get_asInt('ijacostiffness',defaultVal=1) - if (iJacoStiffness < 1) call IO_error(301,ext_msg='iJacoStiffness') elCP = mesh_FEM2DAMASK_elem(elFE) @@ -179,7 +186,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, temperature_inp, dt, elFE, ip, cauchyS CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6) else validCalculation - updateJaco = mod(cycleCounter,iJacoStiffness) == 0 + updateJaco = mod(cycleCounter,num%iJacoStiffness) == 0 FEsolving_execElem = elCP FEsolving_execIP = ip if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) & diff --git a/src/damage_local.f90 b/src/damage_local.f90 index 892768fdc..e0dfa34eb 100644 --- a/src/damage_local.f90 +++ b/src/damage_local.f90 @@ -23,9 +23,16 @@ module damage_local output end type tParameters + type, private :: tNumerics + real(pReal) :: & + residualStiffness !< non-zero residual damage + end type tNumerics + type(tparameters), dimension(:), allocatable :: & param + type(tNumerics), private :: num + public :: & damage_local_init, & damage_local_updateState, & @@ -40,9 +47,17 @@ contains subroutine damage_local_init integer :: Ninstance,NofMyHomog,h + class(tNode), pointer :: num_generic write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_local_label//' init -+>>>'; flush(6) +!---------------------------------------------------------------------------------------------- +! read numerics parameter and do sanity check + num_generic => numerics_root%get('generic',defaultVal=emptyDict) + num%residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal) + if (num%residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness') +!---------------------------------------------------------------------------------------------- + Ninstance = count(damage_type == DAMAGE_local_ID) allocate(param(Ninstance)) @@ -85,20 +100,14 @@ function damage_local_updateState(subdt, ip, el) homog, & offset real(pReal) :: & - phi, phiDot, dPhiDot_dPhi, & - residualStiffness !< non-zero residual damage - class(tNode), pointer :: & - num_generic + phi, phiDot, dPhiDot_dPhi - num_generic => numerics_root%get('generic',defaultVal=emptyDict) - residualStiffness = num_generic%get_asFloat('residualStiffness', defaultVal=1.0e-6_pReal) - if (residualStiffness < 0.0_pReal) call IO_error(301,ext_msg='residualStiffness') - + homog = material_homogenizationAt(el) offset = material_homogenizationMemberAt(ip,el) phi = damageState(homog)%subState0(1,offset) call damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el) - phi = max(residualStiffness,min(1.0_pReal,phi + subdt*phiDot)) + phi = max(num%residualStiffness,min(1.0_pReal,phi + subdt*phiDot)) damage_local_updateState = [ abs(phi - damageState(homog)%state(1,offset)) & <= 1.0e-2_pReal & diff --git a/src/damage_nonlocal.f90 b/src/damage_nonlocal.f90 index f2f26889d..466261225 100644 --- a/src/damage_nonlocal.f90 +++ b/src/damage_nonlocal.f90 @@ -24,8 +24,15 @@ module damage_nonlocal output end type tParameters + type, private :: tNumerics + real(pReal) :: & + charLength !< characteristic length scale for gradient problems + end type tNumerics + type(tparameters), dimension(:), allocatable :: & param + type(tNumerics), private :: & + num public :: & damage_nonlocal_init, & @@ -44,9 +51,17 @@ contains subroutine damage_nonlocal_init integer :: Ninstance,NofMyHomog,h - + class(tNode), pointer :: & + num_generic + write(6,'(/,a)') ' <<<+- damage_'//DAMAGE_nonlocal_label//' init -+>>>'; flush(6) +!------------------------------------------------------------------------------------ +! read numerics parameter + num_generic => numerics_root%get('generic',defaultVal= emptyDict) + num%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal) +!------------------------------------------------------------------------------------ + Ninstance = count(damage_type == DAMAGE_nonlocal_ID) allocate(param(Ninstance)) @@ -139,13 +154,6 @@ function damage_nonlocal_getDiffusion(ip,el) integer :: & homog, & grain - real(pReal) :: & - charLength !< characteristic length scale for gradient problems - class(tNode), pointer :: & - num_generic - - num_generic => numerics_root%get('generic',defaultVal= emptyDict) - charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal) homog = material_homogenizationAt(el) damage_nonlocal_getDiffusion = 0.0_pReal @@ -155,7 +163,7 @@ function damage_nonlocal_getDiffusion(ip,el) enddo damage_nonlocal_getDiffusion = & - charLength**2*damage_nonlocal_getDiffusion/real(homogenization_Ngrains(homog),pReal) + num%charLength**2*damage_nonlocal_getDiffusion/real(homogenization_Ngrains(homog),pReal) end function damage_nonlocal_getDiffusion diff --git a/src/grid/DAMASK_grid.f90 b/src/grid/DAMASK_grid.f90 index e151222c2..bc153693d 100644 --- a/src/grid/DAMASK_grid.f90 +++ b/src/grid/DAMASK_grid.f90 @@ -61,7 +61,6 @@ program DAMASK_grid i, j, k, l, field, & errorID = 0, & cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$ - maxCutBack, & !< max number of cut backs stepFraction = 0 !< fraction of current time interval integer :: & currentLoadcase = 0, & !< current load case @@ -69,12 +68,18 @@ program DAMASK_grid totalIncsCounter = 0, & !< total # of increments statUnit = 0, & !< file unit for statistics output stagIter, & - stagItMax, & !< max number of field level staggered iterations nActiveFields = 0 character(len=pStringLen), dimension(:), allocatable :: fileContent character(len=pStringLen) :: & incInfo, & loadcase_string + type :: tNumerics + integer :: & + maxCutBack, & !< max number of cut backs + stagItMax !< max number of field level staggered iterations + end type tNumerics + + type(tNumerics) :: num type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases type(tLoadCase) :: newLoadCase type(tSolutionState), allocatable, dimension(:) :: solres @@ -114,11 +119,11 @@ program DAMASK_grid !------------------------------------------------------------------------------------------------- ! reading field paramters from numerics file and do sanity checks num_grid => numerics_root%get('grid', defaultVal=emptyDict) - stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10) - maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3) + num%stagItMax = num_grid%get_asInt('maxStaggeredIter',defaultVal=10) + num%maxCutBack = num_grid%get_asInt('maxCutBack',defaultVal=3) - if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter') - if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack') + if (num%stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter') + if (num%maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack') !-------------------------------------------------------------------------------------------------- ! assign mechanics solver depending on selected type @@ -449,7 +454,7 @@ program DAMASK_grid enddo stagIter = stagIter + 1 - stagIterate = stagIter < stagItMax & + stagIterate = stagIter < num%stagItMax & .and. all(solres(:)%converged) & .and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration enddo @@ -468,7 +473,7 @@ program DAMASK_grid solres%converged, solres%iterationsNeeded flush(statUnit) endif - elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated? + elseif (cutBackLevel < num%maxCutBack) then ! further cutbacking tolerated? cutBack = .true. stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator cutBackLevel = cutBackLevel + 1 diff --git a/src/math.f90 b/src/math.f90 index 66076455f..3d686fe7a 100644 --- a/src/math.f90 +++ b/src/math.f90 @@ -72,6 +72,14 @@ module math 3,2, & 3,3 & ],shape(MAPPLAIN)) !< arrangement in Plain notation + + type, private :: tNumerics + integer :: & + randomSeed !< fixed seeding for pseudo-random number generator, Default 0: use random seed + + end type + + type(tNumerics), private :: num interface math_eye module procedure math_identity2nd @@ -91,8 +99,7 @@ subroutine math_init real(pReal), dimension(4) :: randTest integer :: & - randSize, & - randomSeed !< fixed seeding for pseudo-random number generator, Default 0: use random seed + randSize integer, dimension(:), allocatable :: randInit class(tNode), pointer :: & num_generic @@ -100,12 +107,12 @@ subroutine math_init write(6,'(/,a)') ' <<<+- math init -+>>>'; flush(6) num_generic => numerics_root%get('generic',defaultVal=emptyDict) - randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0) + num%randomSeed = num_generic%get_asInt('random_seed', defaultVal = 0) call random_seed(size=randSize) allocate(randInit(randSize)) - if (randomSeed > 0) then - randInit = randomSeed + if (num%randomSeed > 0) then + randInit = num%randomSeed else call random_seed() call random_seed(get = randInit)