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crystallite should be responsible of crystallite variables

This commit is contained in:
Martin Diehl 2020-02-25 09:40:38 +01:00
parent 7f3a1a0238
commit 7d7eff0d94
4 changed files with 139 additions and 150 deletions
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37
src/CPFEM.f90
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@ -26,7 +26,7 @@ module CPFEM
implicit none implicit none
private private
real(pReal), parameter, private :: & real(pReal), parameter, private :: &
CPFEM_odd_stress = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle CPFEM_odd_stress = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle
CPFEM_odd_jacobian = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle CPFEM_odd_jacobian = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle
@ -42,8 +42,8 @@ module CPFEM
lastLovl = 0_pInt !< lovl in previous call to marc hypela2 lastLovl = 0_pInt !< lovl in previous call to marc hypela2
real(pReal), public :: & real(pReal), public :: &
theTime = 0.0_pReal, & !< needs description theTime = 0.0_pReal, & !< needs description
theDelta = 0.0_pReal theDelta = 0.0_pReal
logical, public :: & logical, public :: &
outdatedFFN1 = .false., & !< needs description outdatedFFN1 = .false., & !< needs description
lastIncConverged = .false., & !< needs description lastIncConverged = .false., & !< needs description
outdatedByNewInc = .false. !< needs description outdatedByNewInc = .false. !< needs description
@ -94,6 +94,7 @@ subroutine CPFEM_initAll(el,ip)
call crystallite_init call crystallite_init
call homogenization_init call homogenization_init
call CPFEM_init call CPFEM_init
call CPFEM_initX
CPFEM_init_done = .true. CPFEM_init_done = .true.
endif endif
!$OMP END CRITICAL (init) !$OMP END CRITICAL (init)
@ -174,35 +175,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
CPFEM_dcsde = CPFEM_dcsde_knownGood CPFEM_dcsde = CPFEM_dcsde_knownGood
!*** age results !*** age results
if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) then if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward
crystallite_F0 = crystallite_partionedF ! crystallite deformation
crystallite_Fp0 = crystallite_Fp ! crystallite plastic deformation
crystallite_Lp0 = crystallite_Lp ! crystallite plastic velocity
crystallite_Fi0 = crystallite_Fi ! crystallite intermediate deformation
crystallite_Li0 = crystallite_Li ! crystallite intermediate velocity
crystallite_S0 = crystallite_S ! crystallite 2nd Piola Kirchhoff stress
forall (i = 1:size(plasticState)) plasticState(i)%state0 = plasticState(i)%state
do i = 1, size(sourceState)
do mySource = 1,phase_Nsources(i)
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state
enddo; enddo
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt) then
write(6,'(a)') '<< CPFEM >> aging states'
if (debug_e <= discretization_nElem .and. debug_i <=discretization_nIP) then
write(6,'(a,1x,i8,1x,i2,1x,i4,/,(12x,6(e20.8,1x)),/)') &
'<< CPFEM >> aged state of elFE ip grain',debug_e, debug_i, 1, &
plasticState(material_phaseAt(1,debug_e))%state(:,material_phasememberAt(1,debug_i,debug_e))
endif
endif
do homog = 1_pInt, material_Nhomogenization
homogState (homog)%state0 = homogState (homog)%state
thermalState (homog)%state0 = thermalState (homog)%state
damageState (homog)%state0 = damageState (homog)%state
enddo
endif
!*** collection of FEM input with returning of randomize odd stress and jacobian !*** collection of FEM input with returning of randomize odd stress and jacobian

111
src/CPFEM2.f90
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@ -59,6 +59,7 @@ subroutine CPFEM_initAll
call crystallite_init call crystallite_init
call homogenization_init call homogenization_init
call CPFEM_init call CPFEM_init
call CPFEM_initX
end subroutine CPFEM_initAll end subroutine CPFEM_initAll
@ -67,128 +68,22 @@ end subroutine CPFEM_initAll
!> @brief allocate the arrays defined in module CPFEM and initialize them !> @brief allocate the arrays defined in module CPFEM and initialize them
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_init subroutine CPFEM_init
integer :: i
integer(HID_T) :: fileHandle, groupHandle
character(len=pStringLen) :: fileName, datasetName
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'; flush(6)
if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart information of increment ', interface_restartInc, ' from file'
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName)
call HDF5_read(fileHandle,crystallite_F0, 'F')
call HDF5_read(fileHandle,crystallite_Fp0,'Fp')
call HDF5_read(fileHandle,crystallite_Fi0,'Fi')
call HDF5_read(fileHandle,crystallite_Lp0,'Lp')
call HDF5_read(fileHandle,crystallite_Li0,'Li')
call HDF5_read(fileHandle,crystallite_S0, 'S')
groupHandle = HDF5_openGroup(fileHandle,'constituent')
do i = 1,size(phase_plasticity)
write(datasetName,'(i0,a)') i,'_omega_plastic'
call HDF5_read(groupHandle,plasticState(i)%state0,datasetName)
enddo
call HDF5_closeGroup(groupHandle)
groupHandle = HDF5_openGroup(fileHandle,'materialpoint')
do i = 1, material_Nhomogenization
write(datasetName,'(i0,a)') i,'_omega_homogenization'
call HDF5_read(groupHandle,homogState(i)%state0,datasetName)
enddo
call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle)
endif
end subroutine CPFEM_init end subroutine CPFEM_init
!--------------------------------------------------------------------------------------------------
!> @brief Forward data after successful increment.
! ToDo: Any guessing for the current states possible?
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_forward
integer :: i, j
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) &
write(6,'(a)') '<< CPFEM >> aging states'
crystallite_F0 = crystallite_partionedF
crystallite_Fp0 = crystallite_Fp
crystallite_Lp0 = crystallite_Lp
crystallite_Fi0 = crystallite_Fi
crystallite_Li0 = crystallite_Li
crystallite_S0 = crystallite_S
do i = 1, size(plasticState)
plasticState(i)%state0 = plasticState(i)%state
enddo
do i = 1, size(sourceState)
do j = 1,phase_Nsources(i)
sourceState(i)%p(j)%state0 = sourceState(i)%p(j)%state
enddo; enddo
do i = 1, material_Nhomogenization
homogState (i)%state0 = homogState (i)%state
thermalState(i)%state0 = thermalState(i)%state
damageState (i)%state0 = damageState (i)%state
enddo
end subroutine CPFEM_forward
!--------------------------------------------------------------------------------------------------
!> @brief Write current restart information (Field and constitutive data) to file.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_restartWrite
integer :: i
integer(HID_T) :: fileHandle, groupHandle
character(len=pStringLen) :: fileName, datasetName
write(6,'(a)') ' writing field and constitutive data required for restart to file';flush(6)
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'a')
call HDF5_write(fileHandle,crystallite_partionedF,'F')
call HDF5_write(fileHandle,crystallite_Fp, 'Fp')
call HDF5_write(fileHandle,crystallite_Fi, 'Fi')
call HDF5_write(fileHandle,crystallite_Lp, 'Lp')
call HDF5_write(fileHandle,crystallite_Li, 'Li')
call HDF5_write(fileHandle,crystallite_S, 'S')
groupHandle = HDF5_addGroup(fileHandle,'constituent')
do i = 1,size(phase_plasticity)
write(datasetName,'(i0,a)') i,'_omega_plastic'
call HDF5_write(groupHandle,plasticState(i)%state,datasetName)
enddo
call HDF5_closeGroup(groupHandle)
groupHandle = HDF5_addGroup(fileHandle,'materialpoint')
do i = 1, material_Nhomogenization
write(datasetName,'(i0,a)') i,'_omega_homogenization'
call HDF5_write(groupHandle,homogState(i)%state,datasetName)
enddo
call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle)
end subroutine CPFEM_restartWrite
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Trigger writing of results. !> @brief Trigger writing of results.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_results(inc,time) subroutine CPFEM_results(inc,time)
integer, intent(in) :: inc integer, intent(in) :: inc
real(pReal), intent(in) :: time real(pReal), intent(in) :: time
call results_openJobFile call results_openJobFile
call results_addIncrement(inc,time) call results_addIncrement(inc,time)
call constitutive_results call constitutive_results

20
src/DAMASK_marc.f90
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@ -40,9 +40,11 @@ module DAMASK_interface
implicit none implicit none
private private
logical, public :: symmetricSolver logical, public :: symmetricSolver
character(len=*), parameter, public :: INPUTFILEEXTENSION = '.dat' character(len=*), parameter, public :: INPUTFILEEXTENSION = '.dat'
integer(pInt), parameter, public :: interface_restartInc = 0
public :: & public :: &
DAMASK_interface_init, & DAMASK_interface_init, &
getSolverJobName getSolverJobName
@ -57,14 +59,14 @@ subroutine DAMASK_interface_init
integer, dimension(8) :: dateAndTime integer, dimension(8) :: dateAndTime
integer :: ierr integer :: ierr
character(len=pPathLen) :: wd character(len=pPathLen) :: wd
write(6,'(/,a)') ' <<<+- DAMASK_marc init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_marc init -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019' write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019'
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030' write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
write(6,'(/,a)') ' Version: '//DAMASKVERSION write(6,'(/,a)') ' Version: '//DAMASKVERSION
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md ! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if __INTEL_COMPILER >= 1800 #if __INTEL_COMPILER >= 1800
write(6,'(/,a)') ' Compiled with: '//compiler_version() write(6,'(/,a)') ' Compiled with: '//compiler_version()
@ -73,13 +75,13 @@ subroutine DAMASK_interface_init
write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,& write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE ', build date :', __INTEL_COMPILER_BUILD_DATE
#endif #endif
write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__ write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__
call date_and_time(values = dateAndTime) call date_and_time(values = dateAndTime)
write(6,'(/,a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1) 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,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
inquire(5, name=wd) inquire(5, name=wd)
wd = wd(1:scan(wd,'/',back=.true.)) wd = wd(1:scan(wd,'/',back=.true.))
ierr = CHDIR(wd) ierr = CHDIR(wd)

121
src/crystallite.f90
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@ -11,6 +11,8 @@
module crystallite module crystallite
use prec use prec
use IO use IO
use HDF5_utilities
use DAMASK_interface
use config use config
use debug use debug
use numerics use numerics
@ -104,7 +106,10 @@ module crystallite
crystallite_stressTangent, & crystallite_stressTangent, &
crystallite_orientations, & crystallite_orientations, &
crystallite_push33ToRef, & crystallite_push33ToRef, &
crystallite_results crystallite_results, &
CPFEM_restartWrite, &
CPFEM_forward, &
CPFEM_initX
contains contains
@ -1844,4 +1849,118 @@ logical function stateJump(ipc,ip,el)
end function stateJump end function stateJump
!--------------------------------------------------------------------------------------------------
!> @brief Write current restart information (Field and constitutive data) to file.
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_restartWrite
integer :: i
integer(HID_T) :: fileHandle, groupHandle
character(len=pStringLen) :: fileName, datasetName
write(6,'(a)') ' writing field and constitutive data required for restart to file';flush(6)
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'a')
call HDF5_write(fileHandle,crystallite_partionedF,'F')
call HDF5_write(fileHandle,crystallite_Fp, 'Fp')
call HDF5_write(fileHandle,crystallite_Fi, 'Fi')
call HDF5_write(fileHandle,crystallite_Lp, 'Lp')
call HDF5_write(fileHandle,crystallite_Li, 'Li')
call HDF5_write(fileHandle,crystallite_S, 'S')
groupHandle = HDF5_addGroup(fileHandle,'constituent')
do i = 1,size(phase_plasticity)
write(datasetName,'(i0,a)') i,'_omega_plastic'
call HDF5_write(groupHandle,plasticState(i)%state,datasetName)
enddo
call HDF5_closeGroup(groupHandle)
groupHandle = HDF5_addGroup(fileHandle,'materialpoint')
do i = 1, material_Nhomogenization
write(datasetName,'(i0,a)') i,'_omega_homogenization'
call HDF5_write(groupHandle,homogState(i)%state,datasetName)
enddo
call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle)
end subroutine CPFEM_restartWrite
!--------------------------------------------------------------------------------------------------
!> @brief Forward data after successful increment.
! ToDo: Any guessing for the current states possible?
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_forward
integer :: i, j
crystallite_F0 = crystallite_partionedF
crystallite_Fp0 = crystallite_Fp
crystallite_Lp0 = crystallite_Lp
crystallite_Fi0 = crystallite_Fi
crystallite_Li0 = crystallite_Li
crystallite_S0 = crystallite_S
do i = 1, size(plasticState)
plasticState(i)%state0 = plasticState(i)%state
enddo
do i = 1, size(sourceState)
do j = 1,phase_Nsources(i)
sourceState(i)%p(j)%state0 = sourceState(i)%p(j)%state
enddo; enddo
do i = 1, material_Nhomogenization
homogState (i)%state0 = homogState (i)%state
thermalState(i)%state0 = thermalState(i)%state
damageState (i)%state0 = damageState (i)%state
enddo
end subroutine CPFEM_forward
!--------------------------------------------------------------------------------------------------
!> @brief allocate the arrays defined in module CPFEM and initialize them
!--------------------------------------------------------------------------------------------------
subroutine CPFEM_initX
integer :: i
integer(HID_T) :: fileHandle, groupHandle
character(len=pStringLen) :: fileName, datasetName
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'; flush(6)
if (interface_restartInc > 0) then
write(6,'(/,a,i0,a)') ' reading restart information of increment ', interface_restartInc, ' from file'
write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName)
call HDF5_read(fileHandle,crystallite_F0, 'F')
call HDF5_read(fileHandle,crystallite_Fp0,'Fp')
call HDF5_read(fileHandle,crystallite_Fi0,'Fi')
call HDF5_read(fileHandle,crystallite_Lp0,'Lp')
call HDF5_read(fileHandle,crystallite_Li0,'Li')
call HDF5_read(fileHandle,crystallite_S0, 'S')
groupHandle = HDF5_openGroup(fileHandle,'constituent')
do i = 1,size(phase_plasticity)
write(datasetName,'(i0,a)') i,'_omega_plastic'
call HDF5_read(groupHandle,plasticState(i)%state0,datasetName)
enddo
call HDF5_closeGroup(groupHandle)
groupHandle = HDF5_openGroup(fileHandle,'materialpoint')
do i = 1, material_Nhomogenization
write(datasetName,'(i0,a)') i,'_omega_homogenization'
call HDF5_read(groupHandle,homogState(i)%state0,datasetName)
enddo
call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle)
endif
end subroutine CPFEM_initX
end module crystallite end module crystallite