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reorganized calculation modes for CPFEM, now having better readable and cleaner structure

This commit is contained in:
Martin Diehl 2013-03-01 11:48:29 +00:00
parent 65c04ad4cf
commit ada2beb8b8
7 changed files with 749 additions and 763 deletions
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145
code/CPFEM.f90
View File

@ -19,26 +19,32 @@
!############################################################## !##############################################################
!* $Id$ !* $Id$
!############################################################## !##############################################################
MODULE CPFEM module CPFEM
!############################################################## !##############################################################
! *** CPFEM engine *** ! *** CPFEM engine ***
!
use prec, only: pReal
implicit none
real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, & use prec, only: pReal, pInt
implicit none
real(pReal), parameter :: CPFEM_odd_stress = 1e15_pReal, &
CPFEM_odd_jacobian = 1e50_pReal CPFEM_odd_jacobian = 1e50_pReal
real(pReal), dimension (:,:,:), allocatable :: CPFEM_cs !> Cauchy stress real(pReal), dimension (:,:,:), allocatable :: CPFEM_cs !> Cauchy stress
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE !> Cauchy stress tangent real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE !> Cauchy stress tangent
real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood !> known good tangent real(pReal), dimension (:,:,:,:), allocatable :: CPFEM_dcsdE_knownGood !> known good tangent
logical :: CPFEM_init_done = .false., & !> remember whether init has been done already logical :: CPFEM_init_done = .false., & !> remember whether init has been done already
CPFEM_init_inProgress = .false., & !> remember whether first IP is currently performing init CPFEM_init_inProgress = .false., & !> remember whether first IP is currently performing init
CPFEM_calc_done = .false. !> remember whether first IP has already calced the results CPFEM_calc_done = .false. !> remember whether first IP has already calced the results
logical, public, protected :: usePingPong = .false.
integer(pInt), parameter, public :: &
CPFEM_CALCRESULTS = 2_pInt**0_pInt, &
CPFEM_AGERESULTS = 2_pInt**1_pInt, &
CPFEM_BACKUPJACOBIAN = 2_pInt**2_pInt, &
CPFEM_RESTOREJACOBIAN = 2_pInt**3_pInt, &
CPFEM_COLLECT = 2_pInt**4_pInt, &
CPFEM_EXPLICIT = 2_pInt**5_pInt
contains
CONTAINS
!********************************************************* !*********************************************************
!*** call (thread safe) all module initializations *** !*** call (thread safe) all module initializations ***
@ -46,8 +52,7 @@ CONTAINS
subroutine CPFEM_initAll(Temperature,element,IP) subroutine CPFEM_initAll(Temperature,element,IP)
use prec, only: prec_init, & use prec, only: prec_init
pInt
use numerics, only: numerics_init use numerics, only: numerics_init
use debug, only: debug_init use debug, only: debug_init
use FEsolving, only: FE_init use FEsolving, only: FE_init
@ -113,37 +118,53 @@ end subroutine CPFEM_initAll
!********************************************************* !*********************************************************
subroutine CPFEM_init subroutine CPFEM_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use prec, only: pInt use prec, only: &
use debug, only: debug_level, & pInt
use IO, only: &
IO_read_jobBinaryFile,&
IO_read_jobBinaryIntFile, &
IO_timeStamp, &
IO_error
use numerics, only: &
DAMASK_NumThreadsInt
use debug, only: &
debug_level, &
debug_CPFEM, & debug_CPFEM, &
debug_levelBasic, & debug_levelBasic, &
debug_levelExtensive debug_levelExtensive
use IO, only: IO_read_jobBinaryFile,& use FEsolving, only: &
IO_read_jobBinaryIntFile, & parallelExecution, &
IO_timeStamp
use FEsolving, only: parallelExecution, &
symmetricSolver, & symmetricSolver, &
restartRead, & restartRead, &
modelName modelName
use mesh, only: mesh_NcpElems, & use mesh, only: &
mesh_NcpElems, &
mesh_Nelems, &
mesh_maxNips mesh_maxNips
use material, only: homogenization_maxNgrains, & use material, only: &
homogenization_maxNgrains, &
material_phase material_phase
use constitutive, only: constitutive_state0 use constitutive, only: &
use crystallite, only: crystallite_F0, & constitutive_state0
use crystallite, only: &
crystallite_F0, &
crystallite_Fp0, & crystallite_Fp0, &
crystallite_Lp0, & crystallite_Lp0, &
crystallite_dPdF0, & crystallite_dPdF0, &
crystallite_Tstar0_v crystallite_Tstar0_v, &
use homogenization, only: homogenization_sizeState, & crystallite_localPlasticity
use homogenization, only: &
homogenization_sizeState, &
homogenization_state0 homogenization_state0
implicit none implicit none
integer(pInt) i,j,k,l,m integer(pInt) i,j,k,l,m
if (any(.not. crystallite_localPlasticity) .and. (mesh_Nelems /= mesh_NcpElems)) call IO_error(600)
if ((DAMASK_NumThreadsInt > 1_pInt) .and. (mesh_Nelems /= mesh_NcpElems)) call IO_error(601)
usePingPong = (any(.not. crystallite_localPlasticity) .or. (DAMASK_NumThreadsInt > 1_pInt))
! initialize stress and jacobian to zero ! initialize stress and jacobian to zero
allocate(CPFEM_cs(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_cs = 0.0_pReal allocate(CPFEM_cs(6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_cs = 0.0_pReal
allocate(CPFEM_dcsdE(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE = 0.0_pReal allocate(CPFEM_dcsdE(6,6,mesh_maxNips,mesh_NcpElems)) ; CPFEM_dcsdE = 0.0_pReal
@ -232,9 +253,6 @@ end subroutine CPFEM_init
subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchyStress,& subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchyStress,&
& jacobian, pstress, dPdF) & jacobian, pstress, dPdF)
! note: cauchyStress = Cauchy stress cs(6) and jacobian = Consistent tangent dcs/dE ! note: cauchyStress = Cauchy stress cs(6) and jacobian = Consistent tangent dcs/dE
!*** variables and functions from other modules ***!
use prec, only: pInt
use numerics, only: defgradTolerance, & use numerics, only: defgradTolerance, &
iJacoStiffness iJacoStiffness
use debug, only: debug_level, & use debug, only: debug_level, &
@ -309,10 +327,6 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
use DAMASK_interface use DAMASK_interface
implicit none implicit none
!*** input variables ***!
integer(pInt), intent(in) :: element, & ! FE element number integer(pInt), intent(in) :: element, & ! FE element number
IP ! FE integration point number IP ! FE integration point number
real(pReal), intent(inout) :: Temperature ! temperature real(pReal), intent(inout) :: Temperature ! temperature
@ -320,23 +334,12 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
real(pReal), dimension (3,3), intent(in) :: ffn, & ! deformation gradient for t=t0 real(pReal), dimension (3,3), intent(in) :: ffn, & ! deformation gradient for t=t0
ffn1 ! deformation gradient for t=t1 ffn1 ! deformation gradient for t=t1
integer(pInt), intent(in) :: mode ! computation mode 1: regular computation plus aging of results integer(pInt), intent(in) :: mode ! computation mode 1: regular computation plus aging of results
! 2: regular computation
! 3: collection of FEM data
! 4: backup tangent from former converged inc
! 5: restore tangent from former converged inc
! 6: recycling of former results (MARC speciality)
!*** output variables ***!
real(pReal), dimension(6), intent(out) :: cauchyStress ! stress vector in Mandel notation real(pReal), dimension(6), intent(out) :: cauchyStress ! stress vector in Mandel notation
real(pReal), dimension(6,6), intent(out) :: jacobian ! jacobian in Mandel notation real(pReal), dimension(6,6), intent(out) :: jacobian ! jacobian in Mandel notation
real(pReal), dimension (3,3), intent(out) :: pstress ! Piola-Kirchhoff stress in Matrix notation real(pReal), dimension (3,3), intent(out) :: pstress ! Piola-Kirchhoff stress in Matrix notation
real(pReal), dimension (3,3,3,3), intent(out) :: dPdF ! real(pReal), dimension (3,3,3,3), intent(out) :: dPdF !
!*** local variables ***!
real(pReal) J_inverse, & ! inverse of Jacobian real(pReal) J_inverse, & ! inverse of Jacobian
rnd rnd
real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress in Matrix notation real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress in Matrix notation
@ -364,19 +367,7 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) then
!*** according to our "mode" we decide what to do
select case (mode)
! --+>> REGULAR COMPUTATION (WITH AGING OF RESULTS IF MODE == 1) <<+--
case (1,2,8,9)
!*** age results
if (mode == 1 .or. mode == 8) then
crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...) crystallite_F0 = crystallite_partionedF ! crystallite deformation (_subF is perturbed...)
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
@ -463,16 +454,15 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
close (777) close (777)
endif endif
! * end of dumping
endif endif
if (mode == 8 .or. mode == 9) then ! Abaqus explicit skips collect if (iand(mode, CPFEM_EXPLICIT) /= 0_pInt) then ! Abaqus explicit skips collect
materialpoint_Temperature(IP,cp_en) = Temperature materialpoint_Temperature(IP,cp_en) = Temperature
materialpoint_F0(1:3,1:3,IP,cp_en) = ffn materialpoint_F0(1:3,1:3,IP,cp_en) = ffn
materialpoint_F(1:3,1:3,IP,cp_en) = ffn1 materialpoint_F(1:3,1:3,IP,cp_en) = ffn1
endif endif
if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then
!*** deformation gradient outdated or any actual deformation gradient differs more than relevantStrain from the stored one !*** deformation gradient outdated or any actual deformation gradient differs more than relevantStrain from the stored one
if (terminallyIll .or. outdatedFFN1 .or. any(abs(ffn1 - materialpoint_F(1:3,1:3,IP,cp_en)) > defgradTolerance)) then if (terminallyIll .or. outdatedFFN1 .or. any(abs(ffn1 - materialpoint_F(1:3,1:3,IP,cp_en)) > defgradTolerance)) then
@ -565,16 +555,17 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
CPFEM_dcsde(1:6,1:6,IP,cp_en) = math_Mandel3333to66(J_inverse * H_sym) CPFEM_dcsde(1:6,1:6,IP,cp_en) = math_Mandel3333to66(J_inverse * H_sym)
endif endif
endif endif
endif
! --+>> COLLECTION OF FEM INPUT WITH RETURNING OF RANDOMIZED ODD STRESS AND JACOBIAN <<+-- ! --+>> COLLECTION OF FEM INPUT WITH RETURNING OF RANDOMIZED ODD STRESS AND JACOBIAN <<+--
case (3,4,5)
if (mode == 4) then if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) &
CPFEM_dcsde_knownGood = CPFEM_dcsde ! --+>> BACKUP JACOBIAN FROM FORMER CONVERGED INC CPFEM_dcsde_knownGood = CPFEM_dcsde
else if (mode == 5) then if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) &
CPFEM_dcsde = CPFEM_dcsde_knownGood ! --+>> RESTORE CONSISTENT JACOBIAN FROM FORMER CONVERGED INC CPFEM_dcsde = CPFEM_dcsde_knownGood
end if
if (iand(mode, CPFEM_COLLECT) /= 0_pInt) then
call random_number(rnd) call random_number(rnd)
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
materialpoint_Temperature(IP,cp_en) = Temperature materialpoint_Temperature(IP,cp_en) = Temperature
@ -583,22 +574,8 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
CPFEM_cs(1:6,IP,cp_en) = rnd * CPFEM_odd_stress CPFEM_cs(1:6,IP,cp_en) = rnd * CPFEM_odd_stress
CPFEM_dcsde(1:6,1:6,IP,cp_en) = CPFEM_odd_jacobian * math_identity2nd(6) CPFEM_dcsde(1:6,1:6,IP,cp_en) = CPFEM_odd_jacobian * math_identity2nd(6)
CPFEM_calc_done = .false. CPFEM_calc_done = .false.
endif
! --+>> RECYCLING OF FORMER RESULTS (MARC SPECIALTY) <<+--
case (6)
! do nothing
! --+>> RESTORE CONSISTENT JACOBIAN FROM FORMER CONVERGED INC
case (7)
CPFEM_dcsde = CPFEM_dcsde_knownGood
end select
!*** fill output variables with computed values
cauchyStress = CPFEM_cs(1:6,IP,cp_en) cauchyStress = CPFEM_cs(1:6,IP,cp_en)
jacobian = CPFEM_dcsdE(1:6,1:6,IP,cp_en) jacobian = CPFEM_dcsdE(1:6,1:6,IP,cp_en)
@ -651,4 +628,4 @@ subroutine CPFEM_general(mode, ffn, ffn1, Temperature, dt, element, IP, cauchySt
end subroutine CPFEM_general end subroutine CPFEM_general
END MODULE CPFEM end module CPFEM

17
code/DAMASK_abaqus_exp.f
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@ -187,7 +187,13 @@ subroutine vumat (jblock, ndir, nshr, nstatev, nfieldv, nprops, lanneal, &
debug_abaqus debug_abaqus
use mesh, only: mesh_FEasCP, & use mesh, only: mesh_FEasCP, &
mesh_ipCoordinates mesh_ipCoordinates
use CPFEM, only: CPFEM_general,CPFEM_init_done, CPFEM_initAll use CPFEM, only: &
CPFEM_general, &
CPFEM_init_done, &
CPFEM_initAll, &
CPFEM_CALCRESULTS, &
CPFEM_AGERESULTS, &
CPFEM_EXPLICIT
use homogenization, only: materialpoint_sizeResults, materialpoint_results use homogenization, only: materialpoint_sizeResults, materialpoint_results
include 'vaba_param.inc' ! Abaqus exp initializes a first step in single prec. for this a two-step compilation is used. include 'vaba_param.inc' ! Abaqus exp initializes a first step in single prec. for this a two-step compilation is used.
@ -216,8 +222,8 @@ subroutine vumat (jblock, ndir, nshr, nstatev, nfieldv, nprops, lanneal, &
real(pReal), dimension(6,6) :: ddsdde real(pReal), dimension(6,6) :: ddsdde
real(pReal) temp, timeInc real(pReal) temp, timeInc
integer(pInt) computationMode, n, i, cp_en integer(pInt) computationMode, n, i, cp_en
logical :: cutBack
computationMode = ior(CPFEM_CALCRESULTS,CPFEM_EXPLICIT) ! always calculate, always explicit
do n = 1,nblock ! loop over vector of IPs do n = 1,nblock ! loop over vector of IPs
temp = tempOld(n) temp = tempOld(n)
@ -249,16 +255,15 @@ subroutine vumat (jblock, ndir, nshr, nstatev, nfieldv, nprops, lanneal, &
outdatedByNewInc = .false. outdatedByNewInc = .false.
call debug_info() ! first after new inc reports debugging call debug_info() ! first after new inc reports debugging
call debug_reset() ! resets debugging call debug_reset() ! resets debugging
computationMode = 8 ! calc and age results with implicit collection computationMode = ior(computationMode, CPFEM_AGERESULTS) ! age results
else
computationMode = 9 ! plain calc with implicit collection
endif endif
theTime = totalTime ! record current starting time theTime = totalTime ! record current starting time
if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0) then if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(a16,1x,i2,1x,a,i8,1x,i5,a)') 'computationMode',computationMode,'(',nElement(n),nMatPoint(n),')'; call flush(6) write(6,'(i2,1x,a,i8,1x,i5,a)') '(',nElement(n),nMatPoint(n),')'; call flush(6)
write(6,'(a,l1)') 'Aging Results: ', iand(computationMode, CPFEM_AGERESULTS) /= 0_pInt
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif

36
code/DAMASK_abaqus_std.f
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@ -151,7 +151,16 @@ subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
debug_abaqus debug_abaqus
use mesh, only: mesh_FEasCP, & use mesh, only: mesh_FEasCP, &
mesh_ipCoordinates mesh_ipCoordinates
use CPFEM, only: CPFEM_general,CPFEM_init_done, CPFEM_initAll use CPFEM, only: &
CPFEM_general, &
CPFEM_init_done, &
CPFEM_initAll, &
CPFEM_CALCRESULTS, &
CPFEM_AGERESULTS, &
CPFEM_COLLECT, &
CPFEM_RESTOREJACOBIAN, &
CPFEM_BACKUPJACOBIAN
use homogenization, only: materialpoint_sizeResults, materialpoint_results use homogenization, only: materialpoint_sizeResults, materialpoint_results
@ -173,7 +182,6 @@ subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
real(pReal), dimension(6) :: stress_h real(pReal), dimension(6) :: stress_h
real(pReal), dimension(6,6) :: ddsdde_h real(pReal), dimension(6,6) :: ddsdde_h
integer(pInt) computationMode, i, cp_en integer(pInt) computationMode, i, cp_en
logical :: cutBack
if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0 .and. noel == 1 .and. npt == 1) then if (iand(debug_level(debug_abaqus),debug_levelBasic) /= 0 .and. noel == 1 .and. npt == 1) then
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
@ -217,8 +225,6 @@ subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
endif endif
else if ( dtime < theDelta ) then ! >> cutBack << else if ( dtime < theDelta ) then ! >> cutBack <<
cutBack = .true.
terminallyIll = .false. terminallyIll = .false.
cycleCounter = -1 ! first calc step increments this to cycle = 0 cycleCounter = -1 ! first calc step increments this to cycle = 0
calcMode = .true. ! pretend last step was calculation calcMode = .true. ! pretend last step was calculation
@ -230,31 +236,25 @@ subroutine UMAT(STRESS,STATEV,DDSDDE,SSE,SPD,SCD,&
calcMode(npt,cp_en) = .not. calcMode(npt,cp_en) ! ping pong (calc <--> collect) calcMode(npt,cp_en) = .not. calcMode(npt,cp_en) ! ping pong (calc <--> collect)
if ( calcMode(npt,cp_en) ) then ! now calc if (calcMode(npt,cp_en)) then ! now calc
computationMode = CPFEM_CALCRESULTS
if ( lastMode .neqv. calcMode(npt,cp_en) ) then ! first after ping pong if ( lastMode .neqv. calcMode(npt,cp_en) ) then ! first after ping pong
call debug_reset() ! resets debugging call debug_reset() ! resets debugging
outdatedFFN1 = .false. outdatedFFN1 = .false.
cycleCounter = cycleCounter + 1 cycleCounter = cycleCounter + 1
endif endif
if ( outdatedByNewInc ) then if(outdatedByNewInc) then
outdatedByNewInc = .false. outdatedByNewInc = .false.
computationMode = 1 ! calc and age results computationMode = ior(computationMode,CPFEM_AGERESULTS) ! calc and age results
else
computationMode = 2 ! plain calc
endif endif
else ! now collect else ! now collect
if ( lastMode .neqv. calcMode(npt,cp_en) .and. & computationMode = CPFEM_COLLECT
.not. terminallyIll) then if(lastMode .neqv. calcMode(npt,cp_en) .and. .not. terminallyIll) then
call debug_info() ! first after ping pong reports debugging call debug_info() ! first after ping pong reports debugging
endif endif
if ( lastIncConverged ) then if (lastIncConverged) then
lastIncConverged = .false. lastIncConverged = .false.
computationMode = 4 ! collect and backup Jacobian after convergence computationMode = ior(computationMode,CPFEM_BACKUPJACOBIAN) ! backup Jacobian after convergence
elseif ( cutBack ) then
cutBack = .false.
computationMode = 5 ! collect and restore Jacobian after cutback
else
computationMode = 3 ! plain collect
endif endif
mesh_ipCoordinates(1:3,npt,cp_en) = numerics_unitlength * COORDS mesh_ipCoordinates(1:3,npt,cp_en) = numerics_unitlength * COORDS
endif endif

291
code/DAMASK_marc.f90
View File

@ -16,44 +16,37 @@
! You should have received a copy of the GNU General Public License ! You should have received a copy of the GNU General Public License
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>. ! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
! !
!############################################################## !--------------------------------------------------------------------------------------------------
!* $Id$ ! $Id$
!******************************************************************** !--------------------------------------------------------------------------------------------------
! Material subroutine for MSC.Marc !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
! !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
! written by P. Eisenlohr, !> @author Luc Hantcherli, Max-Planck-Institut für Eisenforschung GmbH
! F. Roters, !> @author W.A. Counts
! L. Hantcherli, !> @author Denny Tjahjanto, Max-Planck-Institut für Eisenforschung GmbH
! W.A. Counts !> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
! D.D. Tjahjanto !> @brief Material subroutine for MSC.Marc
! C. Kords !> @details Usage:
! !> @details - choose material as hypela2
! MPI fuer Eisenforschung, Duesseldorf !> @details - set statevariable 2 to index of homogenization
! !> @details - set statevariable 3 to index of microstructure
!******************************************************************** !> @details - make sure the file "material.config" exists in the working
! Usage: !> @details directory
! - choose material as hypela2 !> @details - make sure the file "numerics.config" exists in the working
! - set statevariable 2 to index of homogenization !> @details directory
! - set statevariable 3 to index of microstructure !> @details - use nonsymmetric option for solver (e.g. direct
! - make sure the file "material.config" exists in the working !> @details profile or multifrontal sparse, the latter seems
! directory !> @details to be faster!)
! - make sure the file "numerics.config" exists in the working !> @details - in case of ddm (domain decomposition)a SYMMETRIC
! directory !> @details solver has to be used, i.e uncheck "non-symmetric"
! - use nonsymmetric option for solver (e.g. direct !> @details Marc subroutines used:
! profile or multifrontal sparse, the latter seems !> @details - hypela2
! to be faster!) !> @details - plotv
! - in case of ddm (domain decomposition)a SYMMETRIC !> @details - quit
! solver has to be used, i.e uncheck "non-symmetric" !> @details Marc common blocks included:
!******************************************************************** !> @details - concom: lovl, ncycle, inc, incsub
! Marc subroutines used: !> @details - creeps: timinc
! - hypela2 !--------------------------------------------------------------------------------------------------
! - plotv
! - quit
!********************************************************************
! Marc common blocks included:
! - concom: lovl, ncycle, inc, incsub
! - creeps: timinc
!********************************************************************
#ifndef INT #ifndef INT
#define INT 4 #define INT 4
@ -68,7 +61,6 @@
#include "prec.f90" #include "prec.f90"
module DAMASK_interface module DAMASK_interface
use prec, only: pInt
implicit none implicit none
character(len=4), parameter :: InputFileExtension = '.dat' character(len=4), parameter :: InputFileExtension = '.dat'
@ -76,24 +68,29 @@ module DAMASK_interface
contains contains
!--------------------------------------------------------------------------------------------------
!> @brief only output of current version
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init subroutine DAMASK_interface_init
implicit none implicit none
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,*) write(6,'(/,a)') ' <<<+- DAMASK_marc init -+>>>'
write(6,*) '<<<+- DAMASK_marc init -+>>>' write(6,'(a)') ' $Id$'
write(6,*) '$Id$'
#include "compilation_info.f90" #include "compilation_info.f90"
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
end subroutine DAMASK_interface_init end subroutine DAMASK_interface_init
!--------------------------------------------------------------------------------------------------
!> @brief returns the current workingDir
!--------------------------------------------------------------------------------------------------
function getSolverWorkingDirectoryName() function getSolverWorkingDirectoryName()
implicit none implicit none
character(1024) getSolverWorkingDirectoryName, inputName character(1024) getSolverWorkingDirectoryName, inputName
character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash
@ -105,10 +102,16 @@ function getSolverWorkingDirectoryName()
end function getSolverWorkingDirectoryName end function getSolverWorkingDirectoryName
!--------------------------------------------------------------------------------------------------
!> @brief solver job name (no extension) as combination of geometry and load case name
!--------------------------------------------------------------------------------------------------
function getSolverJobName() function getSolverJobName()
use prec, only: &
pReal, &
pInt
implicit none implicit none
character(1024) :: getSolverJobName, inputName character(1024) :: getSolverJobName, inputName
character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash character(len=*), parameter :: pathSep = achar(47)//achar(92) ! forward and backward slash
integer(pInt) :: extPos integer(pInt) :: extPos
@ -118,10 +121,10 @@ function getSolverJobName()
inquire(5, name=inputName) ! determine inputfile inquire(5, name=inputName) ! determine inputfile
extPos = len_trim(inputName)-4 extPos = len_trim(inputName)-4
getSolverJobName=inputName(scan(inputName,pathSep,back=.true.)+1:extPos) getSolverJobName=inputName(scan(inputName,pathSep,back=.true.)+1:extPos)
! write(6,*) 'getSolverJobName', getSolverJobName
end function getSolverJobName end function getSolverJobName
end module DAMASK_interface end module DAMASK_interface
#include "IO.f90" #include "IO.f90"
@ -146,77 +149,70 @@ end module DAMASK_interface
#include "CPFEM.f90" #include "CPFEM.f90"
!******************************************************************** !--------------------------------------------------------------------------------------------------
! This is the Marc material routine !> @brief This is the MSC.Marc user subroutine for defining material behavior
!******************************************************************** !> @details CAUTION : Due to calculation of the Deformation gradients, Stretch Tensors and
! !> @details Rotation tensors at previous and current states, the analysis can be
! ************* user subroutine for defining material behavior ************** !> @details computationally expensive. Please use the user subroutine -> hypela
! !> @details if these kinematic quantities are not needed in the constitutive model
! !> @details
! CAUTION : Due to calculation of the Deformation gradients, Stretch Tensors and !> @details IMPORTANT NOTES :
! Rotation tensors at previous and current states, the analysis can be !> @details
! computationally expensive. Please use the user subroutine -> hypela !> @details (1) F,R,U are only available for continuum and membrane elements (not for
! if these kinematic quantities are not needed in the constitutive model !> @details shells and beams).
! !> @details
! !> @details (2) For total Lagrangian formulation use the -> 'Elasticity,1' card(=
! IMPORTANT NOTES : !> @details total Lagrange with large disp) in the parameter section of input deck.
! !> @details For updated Lagrangian formulation use the -> 'Plasticity,3' card(=
! (1) F,R,U are only available for continuum and membrane elements (not for !> @details update+finite+large disp+constant d) in the parameter section of
! shells and beams). !> @details input deck.
! !> @details
! (2) For total Lagrangian formulation use the -> 'Elasticity,1' card(= !> @details The following operation obtains U (stretch tensor) at t=n+1 :
! total Lagrange with large disp) in the parameter section of input deck. !> @details
! For updated Lagrangian formulation use the -> 'Plasticity,3' card(= !> @details call scla(un1,0.d0,itel,itel,1)
! update+finite+large disp+constant d) in the parameter section of !> @details do k=1,3
! input deck. !> @details do i=1,3
! !> @details do j=1,3
! The following operation obtains U (stretch tensor) at t=n+1 : !> @details un1(i,j)=un1(i,j)+dsqrt(strechn1(k))*eigvn1(i,k)*eigvn1(j,k)
! !> @details enddo
! call scla(un1,0.d0,itel,itel,1) !> @details enddo
! do 3 k=1,3 !> @details enddo
! do 2 i=1,3 !--------------------------------------------------------------------------------------------------
! do 1 j=1,3
! un1(i,j)=un1(i,j)+dsqrt(strechn1(k))*eigvn1(i,k)*eigvn1(j,k)
!1 continue
!2 continue
!3 continue
!
!********************************************************************
subroutine hypela2(& subroutine hypela2(&
d,& ! stress strain law to be formed d,& !< stress strain law to be formed
g,& ! change in stress due to temperature effects g,& !< change in stress due to temperature effects
e,& ! total elastic strain e,& !< total elastic strain
de,& ! increment of strain de,& !< increment of strain
s,& ! stress - should be updated by user s,& !< stress - should be updated by user
t,& ! state variables (comes in at t=n, must be updated to have state variables at t=n+1) t,& !< state variables (comes in at t=n, must be updated to have state variables at t=n+1)
dt,& ! increment of state variables dt,& !< increment of state variables
ngens,& ! size of stress - strain law ngens,& !< size of stress - strain law
n,& ! element number n,& !< element number
nn,& ! integration point number nn,& !< integration point number
kcus,& ! (1) layer number, (2) internal layer number kcus,& !< (1) layer number, (2) internal layer number
matus,& ! (1) user material identification number, (2) internal material identification number matus,& !< (1) user material identification number, (2) internal material identification number
ndi,& ! number of direct components ndi,& !< number of direct components
nshear,& ! number of shear components nshear,& !< number of shear components
disp,& ! incremental displacements disp,& !< incremental displacements
dispt,& ! displacements at t=n (at assembly, lovl=4) and displacements at t=n+1 (at stress recovery, lovl=6) dispt,& !< displacements at t=n (at assembly, lovl=4) and displacements at t=n+1 (at stress recovery, lovl=6)
coord,& ! coordinates coord,& !< coordinates
ffn,& ! deformation gradient ffn,& !< deformation gradient
frotn,& ! rotation tensor frotn,& !< rotation tensor
strechn,& ! square of principal stretch ratios, lambda(i) strechn,& !< square of principal stretch ratios, lambda(i)
eigvn,& ! i principal direction components for j eigenvalues eigvn,& !< i principal direction components for j eigenvalues
ffn1,& ! deformation gradient ffn1,& !< deformation gradient
frotn1,& ! rotation tensor frotn1,& !< rotation tensor
strechn1,& ! square of principal stretch ratios, lambda(i) strechn1,& !< square of principal stretch ratios, lambda(i)
eigvn1,& ! i principal direction components for j eigenvalues eigvn1,& !< i principal direction components for j eigenvalues
ncrd,& ! number of coordinates ncrd,& !< number of coordinates
itel,& ! dimension of F and R, either 2 or 3 itel,& !< dimension of F and R, either 2 or 3
ndeg,& ! number of degrees of freedom ==> is this at correct list position ?!? ndeg,& !< number of degrees of freedom ==> is this at correct list position ?!?
ndm,& ! ndm,& !<
nnode,& ! number of nodes per element nnode,& !< number of nodes per element
jtype,& ! element type jtype,& !< element type
lclass,& ! element class lclass,& !< element class
ifr,& ! set to 1 if R has been calculated ifr,& !< set to 1 if R has been calculated
ifu & ! set to 1 if stretch has been calculated ifu & !< set to 1 if stretch has been calculated
) )
use prec, only: pReal, & use prec, only: pReal, &
@ -244,7 +240,16 @@ subroutine hypela2(&
mesh_build_ipCoordinates, & mesh_build_ipCoordinates, &
FE_Nnodes, & FE_Nnodes, &
FE_geomtype FE_geomtype
use CPFEM, only: CPFEM_initAll,CPFEM_general,CPFEM_init_done use CPFEM, only: &
CPFEM_general, &
CPFEM_init_done, &
CPFEM_initAll, &
CPFEM_CALCRESULTS, &
CPFEM_AGERESULTS, &
CPFEM_COLLECT, &
CPFEM_RESTOREJACOBIAN, &
CPFEM_BACKUPJACOBIAN
!$ use numerics, only: DAMASK_NumThreadsInt ! number of threads set by DAMASK_NUM_THREADS !$ use numerics, only: DAMASK_NumThreadsInt ! number of threads set by DAMASK_NUM_THREADS
implicit none implicit none
@ -286,12 +291,9 @@ subroutine hypela2(&
!$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS !$ call omp_set_num_threads(DAMASK_NumThreadsInt) ! set number of threads for parallel execution set by DAMASK_NUM_THREADS
if (lovl == 4) then ! Marc requires stiffness in separate call (lovl == 4) if (lovl == 4 ) then
if ( timinc < theDelta .and. theInc == inc ) then ! first after cutback if(timinc < theDelta .and. theInc == inc ) & ! first after cutback
computationMode = 7 ! --> restore tangent and return it computationMode = CPFEM_RESTOREJACOBIAN
else
computationMode = 6 ! --> just return known tangent
endif
else ! stress requested (lovl == 6) else ! stress requested (lovl == 6)
cp_en = mesh_FEasCP('elem',n(1)) cp_en = mesh_FEasCP('elem',n(1))
if (cptim > theTime .or. inc /= theInc) then ! reached "convergence" if (cptim > theTime .or. inc /= theInc) then ! reached "convergence"
@ -346,10 +348,10 @@ subroutine hypela2(&
call mesh_build_ipCoordinates() ! update ip coordinates call mesh_build_ipCoordinates() ! update ip coordinates
endif endif
if ( outdatedByNewInc ) then if ( outdatedByNewInc ) then
computationMode = ior(CPFEM_CALCRESULTS,CPFEM_AGERESULTS)
outdatedByNewInc = .false. ! reset flag outdatedByNewInc = .false. ! reset flag
computationMode = 1 ! calc and age results
else else
computationMode = 2 ! plain calc computationMode = CPFEM_CALCRESULTS
endif endif
else ! now --- COLLECT --- else ! now --- COLLECT ---
if ( lastMode /= calcMode(nn,cp_en) .and. & if ( lastMode /= calcMode(nn,cp_en) .and. &
@ -357,10 +359,10 @@ subroutine hypela2(&
call debug_info() ! first after ping pong reports (meaningful) debugging call debug_info() ! first after ping pong reports (meaningful) debugging
endif endif
if ( lastIncConverged ) then if ( lastIncConverged ) then
computationMode = ior(CPFEM_COLLECT,CPFEM_BACKUPJACOBIAN) ! collect and backup Jacobian after convergence
lastIncConverged = .false. ! reset flag lastIncConverged = .false. ! reset flag
computationMode = 4 ! collect and backup Jacobian after convergence
else else
computationMode = 3 ! plain collect computationMode = CPFEM_COLLECT ! plain collect
endif endif
do node = 1,FE_Nnodes(FE_geomtype(mesh_element(2,cp_en))) do node = 1,FE_Nnodes(FE_geomtype(mesh_element(2,cp_en)))
FEnodeID = mesh_FEasCP('node',mesh_element(4+node,cp_en)) FEnodeID = mesh_FEasCP('node',mesh_element(4+node,cp_en))
@ -389,27 +391,24 @@ subroutine hypela2(&
end subroutine hypela2 end subroutine hypela2
!******************************************************************** !--------------------------------------------------------------------------------------------------
! This routine sets user defined output variables for Marc !> @brief sets user defined output variables for Marc
!******************************************************************** !> @details select a variable contour plotting (user subroutine).
! !--------------------------------------------------------------------------------------------------
! select a variable contour plotting (user subroutine).
!
!********************************************************************
subroutine plotv(& subroutine plotv(&
v,& ! variable v,& !< variable
s,& ! stress array s,& !< stress array
sp,& ! stresses in preferred direction sp,& !< stresses in preferred direction
etot,& ! total strain (generalized) etot,& !< total strain (generalized)
eplas,& ! total plastic strain eplas,& !< total plastic strain
ecreep,& ! total creep strain ecreep,& !< total creep strain
t,& ! current temperature t,& !< current temperature
m,& ! element number m,& !< element number
nn,& ! integration point number nn,& !< integration point number
layer,& ! layer number layer,& !< layer number
ndi,& ! number of direct stress components ndi,& !< number of direct stress components
nshear,& ! number of shear stress components nshear,& !< number of shear stress components
jpltcd & ! user variable index jpltcd & !< user variable index
) )
use prec, only: pReal,pInt use prec, only: pReal,pInt
use mesh, only: mesh_FEasCP use mesh, only: mesh_FEasCP

21
code/DAMASK_spectral_utilities.f90
View File

@ -691,7 +691,12 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
wgt, & wgt, &
mesh_NcpElems mesh_NcpElems
use CPFEM, only: & use CPFEM, only: &
CPFEM_general CPFEM_general, &
CPFEM_COLLECT, &
CPFEM_CALCRESULTS, &
CPFEM_AGERESULTS, &
CPFEM_BACKUPJACOBIAN, &
CPFEM_RESTOREJACOBIAN
use homogenization, only: & use homogenization, only: &
materialpoint_F0, & materialpoint_F0, &
materialpoint_F, & materialpoint_F, &
@ -720,16 +725,16 @@ subroutine utilities_constitutiveResponse(F_lastInc,F,temperature,timeinc,&
real(pReal), dimension(6,6) :: dsde !< d sigma / d Epsilon real(pReal), dimension(6,6) :: dsde !< d sigma / d Epsilon
write(6,'(/,a)') ' ... evaluating constitutive response ......................................' write(6,'(/,a)') ' ... evaluating constitutive response ......................................'
calcMode = CPFEM_CALCRESULTS
collectMode = CPFEM_COLLECT
if (forwardData) then ! aging results if (forwardData) then ! aging results
calcMode = 1_pInt calcMode = ior(calcMode, CPFEM_AGERESULTS)
collectMode = 4_pInt collectMode = ior(collectMode, CPFEM_BACKUPJACOBIAN)
else ! normal calculation
calcMode = 2_pInt
collectMode = 3_pInt
endif endif
if (cutBack) then ! restore saved variables if (cutBack) then ! restore saved variables
calcMode = 2_pInt collectMode = ior(collectMode , CPFEM_RESTOREJACOBIAN)
collectMode = 5_pInt collectMode = iand(collectMode, not(CPFEM_BACKUPJACOBIAN))
calcMode = iand(calcMode, not(CPFEM_AGERESULTS))
endif endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate bounds of det(F) and report ! calculate bounds of det(F) and report

4
code/IO.f90
View File

@ -1515,9 +1515,9 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! user errors ! user errors
case (600_pInt) case (600_pInt)
msg = 'Non-local plasticity and non-CP elements in model' msg = 'Cannot combine Non-local plasticity and non-DAMASK elements'
case (601_pInt) case (601_pInt)
msg = 'OpenMP threads > 1 and using non-CP elements' msg = 'Cannot combine OpenMP threading and non-DAMASK elements'
!------------------------------------------------------------------------------------------------- !-------------------------------------------------------------------------------------------------
! DAMASK_marc errors ! DAMASK_marc errors

4
code/crystallite.f90
View File

@ -89,9 +89,9 @@ module crystallite
logical, dimension (:,:,:), allocatable, public :: & logical, dimension (:,:,:), allocatable, public :: &
crystallite_requested !< flag to request crystallite calculation crystallite_requested !< flag to request crystallite calculation
logical, dimension (:,:,:), allocatable, public, protected :: & logical, dimension (:,:,:), allocatable, public, protected :: &
crystallite_converged !< convergence flag crystallite_converged, & !< convergence flag
crystallite_localPlasticity !< indicates this grain to have purely local constitutive law
logical, dimension (:,:,:), allocatable, private :: & logical, dimension (:,:,:), allocatable, private :: &
crystallite_localPlasticity, & !< indicates this grain to have purely local constitutive law
crystallite_todo !< flag to indicate need for further computation crystallite_todo !< flag to indicate need for further computation
logical, dimension (:,:), allocatable, private :: & logical, dimension (:,:), allocatable, private :: &
crystallite_clearToWindForward, & crystallite_clearToWindForward, &