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DAMASK_EICMD
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Merge branch 'development' into noPostResults

This commit is contained in:
Martin Diehl 2019-12-11 09:28:45 +01:00
parent 5e4e53b9f9 19bc686327
commit 9e801928b0
11 changed files with 118 additions and 147 deletions
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2
VERSION
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@ -1 +1 @@
v2.0.3-1228-g3e269f04 v2.0.3-1237-g5a2053cd

94
src/CPFEM2.f90
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@ -42,7 +42,7 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief call (thread safe) all module initializations !> @brief call all module initializations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_initAll subroutine CPFEM_initAll
@ -69,28 +69,23 @@ subroutine CPFEM_initAll
end subroutine CPFEM_initAll 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 :: ph,homog integer :: i
character(len=1024) :: rankStr, PlasticItem, HomogItem integer(HID_T) :: fileHandle, groupHandle
integer(HID_T) :: fileHandle, groupPlasticID, groupHomogID character(len=pStringLen) :: fileName, datasetName
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>' write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'; flush(6)
flush(6)
! *** restore the last converged values of each essential variable
if (interface_restartInc > 0) then if (interface_restartInc > 0) then
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0) then write(6,'(/,a,i0,a)') ' reading restart information of increment ', interface_restartInc, ' from file'
write(6,'(a)') '<< CPFEM >> restored state variables of last converged step from hdf5 file'
flush(6)
endif
write(rankStr,'(a1,i0)')'_',worldrank write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName)
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
call HDF5_read(fileHandle,crystallite_F0, 'F') call HDF5_read(fileHandle,crystallite_F0, 'F')
call HDF5_read(fileHandle,crystallite_Fp0,'Fp') call HDF5_read(fileHandle,crystallite_Fp0,'Fp')
@ -99,19 +94,19 @@ subroutine CPFEM_init
call HDF5_read(fileHandle,crystallite_Li0,'Li') call HDF5_read(fileHandle,crystallite_Li0,'Li')
call HDF5_read(fileHandle,crystallite_S0, 'S') call HDF5_read(fileHandle,crystallite_S0, 'S')
groupPlasticID = HDF5_openGroup(fileHandle,'constituent') groupHandle = HDF5_openGroup(fileHandle,'constituent')
do ph = 1,size(phase_plasticity) do i = 1,size(phase_plasticity)
write(PlasticItem,*) ph,'_' write(datasetName,'(i0,a)') i,'_omega_plastic'
call HDF5_read(groupPlasticID,plasticState(ph)%state0,trim(PlasticItem)//'omega_plastic') call HDF5_read(groupHandle,plasticState(i)%state0,datasetName)
enddo enddo
call HDF5_closeGroup(groupPlasticID) call HDF5_closeGroup(groupHandle)
groupHomogID = HDF5_openGroup(fileHandle,'materialpoint') groupHandle = HDF5_openGroup(fileHandle,'materialpoint')
do homog = 1, material_Nhomogenization do i = 1, material_Nhomogenization
write(HomogItem,*) homog,'_' write(datasetName,'(i0,a)') i,'_omega_homogenization'
call HDF5_read(groupHomogID,homogState(homog)%state0, trim(HomogItem)//'omega_homogenization') call HDF5_read(groupHandle,homogState(i)%state0,datasetName)
enddo enddo
call HDF5_closeGroup(groupHomogID) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
endif endif
@ -125,7 +120,7 @@ end subroutine CPFEM_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_forward subroutine CPFEM_forward
integer :: i, homog, mySource integer :: i, j
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) & if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0) &
write(6,'(a)') '<< CPFEM >> aging states' write(6,'(a)') '<< CPFEM >> aging states'
@ -141,32 +136,31 @@ subroutine CPFEM_forward
plasticState(i)%state0 = plasticState(i)%state plasticState(i)%state0 = plasticState(i)%state
enddo enddo
do i = 1, size(sourceState) do i = 1, size(sourceState)
do mySource = 1,phase_Nsources(i) do j = 1,phase_Nsources(i)
sourceState(i)%p(mySource)%state0 = sourceState(i)%p(mySource)%state sourceState(i)%p(j)%state0 = sourceState(i)%p(j)%state
enddo; enddo enddo; enddo
do homog = 1, material_Nhomogenization do i = 1, material_Nhomogenization
homogState (homog)%state0 = homogState (homog)%state homogState (i)%state0 = homogState (i)%state
thermalState (homog)%state0 = thermalState (homog)%state thermalState(i)%state0 = thermalState(i)%state
damageState (homog)%state0 = damageState (homog)%state damageState (i)%state0 = damageState (i)%state
enddo enddo
end subroutine CPFEM_forward end subroutine CPFEM_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write current constitutive variables for restart to file. !> @brief Write current restart information (Field and constitutive data) to file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_restartWrite subroutine CPFEM_restartWrite
integer :: ph, homog integer :: i
character(len=32) :: rankStr, PlasticItem, HomogItem integer(HID_T) :: fileHandle, groupHandle
integer(HID_T) :: fileHandle, groupPlastic, groupHomog character(len=pStringLen) :: fileName, datasetName
write(6,'(a)') ' writing field and constitutive data required for restart to file';flush(6)
write(6,'(a)') ' writing constitutive data required for restart to file';flush(6) write(fileName,'(a,i0,a)') trim(getSolverJobName())//'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(fileName,'a')
write(rankStr,'(a1,i0)')'_',worldrank
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','a')
call HDF5_write(fileHandle,crystallite_partionedF,'F') call HDF5_write(fileHandle,crystallite_partionedF,'F')
call HDF5_write(fileHandle,crystallite_Fp, 'Fp') call HDF5_write(fileHandle,crystallite_Fp, 'Fp')
@ -175,19 +169,19 @@ subroutine CPFEM_restartWrite
call HDF5_write(fileHandle,crystallite_Li, 'Li') call HDF5_write(fileHandle,crystallite_Li, 'Li')
call HDF5_write(fileHandle,crystallite_S, 'S') call HDF5_write(fileHandle,crystallite_S, 'S')
groupPlastic = HDF5_addGroup(fileHandle,'constituent') groupHandle = HDF5_addGroup(fileHandle,'constituent')
do ph = 1,size(phase_plasticity) do i = 1,size(phase_plasticity)
write(PlasticItem,*) ph,'_' write(datasetName,'(i0,a)') i,'_omega_plastic'
call HDF5_write(groupPlastic,plasticState(ph)%state,trim(PlasticItem)//'omega_plastic') call HDF5_write(groupHandle,plasticState(i)%state,datasetName)
enddo enddo
call HDF5_closeGroup(groupPlastic) call HDF5_closeGroup(groupHandle)
groupHomog = HDF5_addGroup(fileHandle,'materialpoint') groupHandle = HDF5_addGroup(fileHandle,'materialpoint')
do homog = 1, material_Nhomogenization do i = 1, material_Nhomogenization
write(HomogItem,*) homog,'_' write(datasetName,'(i0,a)') i,'_omega_homogenization'
call HDF5_write(groupHomog,homogState(homog)%state,trim(HomogItem)//'omega_homogenization') call HDF5_write(groupHandle,homogState(i)%state,datasetName)
enddo enddo
call HDF5_closeGroup(groupHomog) call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle) call HDF5_closeFile(fileHandle)
@ -208,7 +202,7 @@ subroutine CPFEM_results(inc,time)
call crystallite_results call crystallite_results
call homogenization_results call homogenization_results
call discretization_results call discretization_results
call results_removeLink('current') ! ToDo: put this into closeJobFile call results_removeLink('current') ! ToDo: put this into closeJobFile?
call results_closeJobFile call results_closeJobFile
end subroutine CPFEM_results end subroutine CPFEM_results

1
src/IO.f90
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@ -544,6 +544,7 @@ end function IO_lc
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief returns format string for integer values without leading zeros !> @brief returns format string for integer values without leading zeros
!> @details deprecated, use '(i0)' format specifier
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
pure function IO_intOut(intToPrint) pure function IO_intOut(intToPrint)

12
src/config.f90
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@ -27,7 +27,7 @@ module config
config_numerics, & config_numerics, &
config_debug config_debug
character(len=64), dimension(:), allocatable, public, protected :: & character(len=pStringLen), dimension(:), allocatable, public, protected :: &
config_name_phase, & !< name of each phase config_name_phase, & !< name of each phase
config_name_homogenization, & !< name of each homogenization config_name_homogenization, & !< name of each homogenization
config_name_crystallite, & !< name of each crystallite setting config_name_crystallite, & !< name of each crystallite setting
@ -54,7 +54,7 @@ subroutine config_init
character(len=pStringLen), dimension(:), allocatable :: fileContent character(len=pStringLen), dimension(:), allocatable :: fileContent
logical :: fileExists logical :: fileExists
write(6,'(/,a)') ' <<<+- config init -+>>>' write(6,'(/,a)') ' <<<+- config init -+>>>'; flush(6)
verbose = iand(debug_level(debug_material),debug_levelBasic) /= 0 verbose = iand(debug_level(debug_material),debug_levelBasic) /= 0
@ -214,7 +214,7 @@ end function read_materialConfig
subroutine parse_materialConfig(sectionNames,part,line, & subroutine parse_materialConfig(sectionNames,part,line, &
fileContent) fileContent)
character(len=64), allocatable, dimension(:), intent(out) :: sectionNames character(len=pStringLen), allocatable, dimension(:), intent(out) :: sectionNames
type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part type(tPartitionedStringList), allocatable, dimension(:), intent(inout) :: part
character(len=pStringLen), intent(inout) :: line character(len=pStringLen), intent(inout) :: line
character(len=pStringLen), dimension(:), intent(in) :: fileContent character(len=pStringLen), dimension(:), intent(in) :: fileContent
@ -222,7 +222,7 @@ subroutine parse_materialConfig(sectionNames,part,line, &
integer, allocatable, dimension(:) :: partPosition !< position of [] tags + last line in section integer, allocatable, dimension(:) :: partPosition !< position of [] tags + last line in section
integer :: i, j integer :: i, j
logical :: echo logical :: echo
character(len=pStringLen) :: section_ID character(len=pStringLen) :: sectionName
echo = .false. echo = .false.
@ -246,8 +246,8 @@ subroutine parse_materialConfig(sectionNames,part,line, &
partPosition = [partPosition, i] ! needed when actually storing content partPosition = [partPosition, i] ! needed when actually storing content
do i = 1, size(partPosition) -1 do i = 1, size(partPosition) -1
write(section_ID,'('//IO_intOut(size(partPosition))//')') i write(sectionName,'(i0,a,a)') i,'_',trim(IO_getTag(fileContent(partPosition(i)),'[',']'))
sectionNames(i) = trim(section_ID)//'_'//trim(adjustl(IO_getTag(fileContent(partPosition(i)),'[',']'))) sectionNames(i) = sectionName
do j = partPosition(i) + 1, partPosition(i+1) -1 do j = partPosition(i) + 1, partPosition(i+1) -1
call part(i)%add(trim(adjustl(fileContent(j)))) call part(i)%add(trim(adjustl(fileContent(j))))
enddo enddo

19
src/grid/DAMASK_grid.f90
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@ -93,7 +93,7 @@ program DAMASK_spectral
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init DAMASK (all modules) ! init DAMASK (all modules)
call CPFEM_initAll call CPFEM_initAll
write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'; flush(6)
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80' write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
@ -382,19 +382,12 @@ program DAMASK_spectral
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new step ! report begin of new step
write(6,'(/,a)') ' ###########################################################################' write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,a,es12.5'//& write(6,'(1x,a,es12.5,6(a,i0))') &
',a,'//IO_intOut(inc) //',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
',a,'//IO_intOut(stepFraction) //',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
'Time', time, & 'Time', time, &
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,& 's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
'-', stepFraction,'/',subStepFactor**cutBackLevel,& '-', stepFraction,'/',subStepFactor**cutBackLevel,&
' of load case ', currentLoadCase,'/',size(loadCases) ' of load case ', currentLoadCase,'/',size(loadCases)
write(incInfo,& write(incInfo,'(4(a,i0))') &
'(a,'//IO_intOut(totalIncsCounter)//&
',a,'//IO_intOut(sum(loadCases%incs))//&
',a,'//IO_intOut(stepFraction)//&
',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),& 'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-', stepFraction,'/',subStepFactor**cutBackLevel '-', stepFraction,'/',subStepFactor**cutBackLevel
flush(6) flush(6)
@ -478,11 +471,9 @@ program DAMASK_spectral
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then if (all(solres(:)%converged)) then
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
' increment ', totalIncsCounter, ' converged'
else else
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged'
' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6) endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency

32
src/grid/grid_mech_FEM.f90
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@ -96,14 +96,14 @@ subroutine grid_mech_FEM_init
1.0_pReal,-1.0_pReal,-1.0_pReal,-1.0_pReal, & 1.0_pReal,-1.0_pReal,-1.0_pReal,-1.0_pReal, &
1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8]) 1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8])
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer :: rank integer :: rank
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
character(len=1024) :: rankStr character(len=pStringLen) :: fileName
real(pReal), dimension(3,3,3,3) :: devNull real(pReal), dimension(3,3,3,3) :: devNull
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
u_current,u_lastInc u_current,u_lastInc
write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>' write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc ! set default and user defined options for PETSc
@ -184,11 +184,10 @@ subroutine grid_mech_FEM_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init fields ! init fields
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') & write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
'reading values of increment ', interface_restartInc, ' from file'
write(rankStr,'(a1,i0)')'_',worldrank write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5') fileHandle = HDF5_openFile(fileName)
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
call HDF5_read(groupHandle,F_aim, 'F_aim') call HDF5_read(groupHandle,F_aim, 'F_aim')
@ -214,8 +213,7 @@ subroutine grid_mech_FEM_init
CHKERRQ(ierr) CHKERRQ(ierr)
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') & write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
'reading more values of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc') call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -355,7 +353,7 @@ end subroutine grid_mech_FEM_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Age !> @brief Age
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_updateCoords() subroutine grid_mech_FEM_updateCoords
call utilities_updateCoords(F) call utilities_updateCoords(F)
@ -365,20 +363,20 @@ end subroutine grid_mech_FEM_updateCoords
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write current solver and constitutive data for restart to file !> @brief Write current solver and constitutive data for restart to file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_restartWrite() subroutine grid_mech_FEM_restartWrite
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer(HID_T) :: fileHandle, groupHandle
PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc
integer(HID_T) :: fileHandle, groupHandle character(len=pStringLen) :: fileName
character(len=32) :: rankStr
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
write(6,'(a)') ' writing solver data required for restart to file';flush(6) write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
write(rankStr,'(a1,i0)')'_',worldrank write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w') fileHandle = HDF5_openFile(fileName,'w')
groupHandle = HDF5_addGroup(fileHandle,'solver') groupHandle = HDF5_addGroup(fileHandle,'solver')
call HDF5_write(groupHandle,F_aim, 'F_aim') call HDF5_write(groupHandle,F_aim, 'F_aim')

32
src/grid/grid_mech_spectral_basic.f90
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@ -94,11 +94,11 @@ subroutine grid_mech_spectral_basic_init
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
F ! pointer to solution data F ! pointer to solution data
PetscInt, dimension(worldsize) :: localK PetscInt, dimension(worldsize) :: localK
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
integer :: fileUnit integer :: fileUnit
character(len=1024) :: rankStr character(len=pStringLen) :: fileName
write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>' write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6)
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013' write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
@ -151,11 +151,10 @@ subroutine grid_mech_spectral_basic_init
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') & write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
' reading values of increment ', interface_restartInc, ' from file'
write(rankStr,'(a1,i0)')'_',worldrank write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5') fileHandle = HDF5_openFile(fileName)
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
call HDF5_read(groupHandle,F_aim, 'F_aim') call HDF5_read(groupHandle,F_aim, 'F_aim')
@ -177,8 +176,7 @@ subroutine grid_mech_spectral_basic_init
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') & write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
'reading more values of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc') call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -320,7 +318,7 @@ end subroutine grid_mech_spectral_basic_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Age !> @brief Age
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_basic_updateCoords() subroutine grid_mech_spectral_basic_updateCoords
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: F PetscScalar, dimension(:,:,:,:), pointer :: F
@ -335,19 +333,19 @@ end subroutine grid_mech_spectral_basic_updateCoords
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write current solver and constitutive data for restart to file !> @brief Write current solver and constitutive data for restart to file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_basic_restartWrite() subroutine grid_mech_spectral_basic_restartWrite
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer(HID_T) :: fileHandle, groupHandle
PetscScalar, dimension(:,:,:,:), pointer :: F PetscScalar, dimension(:,:,:,:), pointer :: F
integer(HID_T) :: fileHandle, groupHandle character(len=pStringLen) :: fileName
character(len=32) :: rankStr
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
write(6,'(a)') ' writing solver data required for restart to file';flush(6) write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
write(rankStr,'(a1,i0)')'_',worldrank write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w') fileHandle = HDF5_openFile(fileName,'w')
groupHandle = HDF5_addGroup(fileHandle,'solver') groupHandle = HDF5_addGroup(fileHandle,'solver')
call HDF5_write(groupHandle,F_aim, 'F_aim') call HDF5_write(groupHandle,F_aim, 'F_aim')

32
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -103,11 +103,11 @@ subroutine grid_mech_spectral_polarisation_init
F, & ! specific (sub)pointer F, & ! specific (sub)pointer
F_tau ! specific (sub)pointer F_tau ! specific (sub)pointer
PetscInt, dimension(worldsize) :: localK PetscInt, dimension(worldsize) :: localK
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
integer :: fileUnit integer :: fileUnit
character(len=1024) :: rankStr character(len=pStringLen) :: fileName
write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>' write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6)
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015' write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
@ -161,11 +161,10 @@ subroutine grid_mech_spectral_polarisation_init
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
restartRead: if (interface_restartInc > 0) then restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') & write(6,'(/,a,i0,a)') ' reading restart data of increment ', interface_restartInc, ' from file'
' reading values of increment ', interface_restartInc, ' from file'
write(rankStr,'(a1,i0)')'_',worldrank write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5') fileHandle = HDF5_openFile(fileName)
groupHandle = HDF5_openGroup(fileHandle,'solver') groupHandle = HDF5_openGroup(fileHandle,'solver')
call HDF5_read(groupHandle,F_aim, 'F_aim') call HDF5_read(groupHandle,F_aim, 'F_aim')
@ -191,8 +190,7 @@ subroutine grid_mech_spectral_polarisation_init
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead2: if (interface_restartInc > 0) then restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') & write(6,'(/,a,i0,a)') ' reading more restart data of increment ', interface_restartInc, ' from file'
' reading more values of increment ', interface_restartInc, ' from file'
call HDF5_read(groupHandle,C_volAvg, 'C_volAvg') call HDF5_read(groupHandle,C_volAvg, 'C_volAvg')
call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc') call HDF5_read(groupHandle,C_volAvgLastInc,'C_volAvgLastInc')
@ -364,7 +362,7 @@ end subroutine grid_mech_spectral_polarisation_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Age !> @brief Age
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_polarisation_updateCoords() subroutine grid_mech_spectral_polarisation_updateCoords
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau
@ -379,21 +377,21 @@ end subroutine grid_mech_spectral_polarisation_updateCoords
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write current solver and constitutive data for restart to file !> @brief Write current solver and constitutive data for restart to file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_polarisation_restartWrite() subroutine grid_mech_spectral_polarisation_restartWrite
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer(HID_T) :: fileHandle, groupHandle
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau, F, F_tau
integer(HID_T) :: fileHandle, groupHandle character(len=pStringLen) :: fileName
character(len=32) :: rankStr
call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) call DMDAVecGetArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
F => FandF_tau(0: 8,:,:,:) F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:) F_tau => FandF_tau(9:17,:,:,:)
write(6,'(a)') ' writing solver data required for restart to file';flush(6) write(6,'(a)') ' writing solver data required for restart to file'; flush(6)
write(rankStr,'(a1,i0)')'_',worldrank write(fileName,'(a,a,i0,a)') trim(getSolverJobName()),'_',worldrank,'.hdf5'
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','w') fileHandle = HDF5_openFile(fileName,'w')
groupHandle = HDF5_addGroup(fileHandle,'solver') groupHandle = HDF5_addGroup(fileHandle,'solver')
call HDF5_write(groupHandle,F_aim, 'F_aim') call HDF5_write(groupHandle,F_aim, 'F_aim')

2
src/grid/spectral_utilities.f90
View File

@ -1123,7 +1123,7 @@ subroutine utilities_saveReferenceStiffness
fileUnit fileUnit
if (worldrank == 0) then if (worldrank == 0) then
write(6,'(a)') ' writing reference stiffness data required for restart to file';flush(6) write(6,'(a)') ' writing reference stiffness data required for restart to file'; flush(6)
fileUnit = IO_open_jobFile_binary('C_ref','w') fileUnit = IO_open_jobFile_binary('C_ref','w')
write(fileUnit) C_ref write(fileUnit) C_ref
close(fileUnit) close(fileUnit)

19
src/mesh/DAMASK_FEM.f90
View File

@ -73,7 +73,7 @@ program DAMASK_FEM
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init DAMASK (all modules) ! init DAMASK (all modules)
call CPFEM_initAll call CPFEM_initAll
write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_FEM init -+>>>'; flush(6)
! reading basic information from load case file and allocate data structure containing load cases ! reading basic information from load case file and allocate data structure containing load cases
call DMGetDimension(geomMesh,dimPlex,ierr); CHKERRA(ierr) !< dimension of mesh (2D or 3D) call DMGetDimension(geomMesh,dimPlex,ierr); CHKERRA(ierr) !< dimension of mesh (2D or 3D)
@ -296,19 +296,12 @@ program DAMASK_FEM
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new step ! report begin of new step
write(6,'(/,a)') ' ###########################################################################' write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,a,es12.5'//& write(6,'(1x,a,es12.5,6(a,i0))')&
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
'Time', time, & 'Time', time, &
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,& 's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
'-', stepFraction, '/', subStepFactor**cutBackLevel,& '-', stepFraction, '/', subStepFactor**cutBackLevel,&
' of load case ', currentLoadCase,'/',size(loadCases) ' of load case ', currentLoadCase,'/',size(loadCases)
write(incInfo,& write(incInfo,'(4(a,i0))') &
'(a,'//IO_intOut(totalIncsCounter)//&
',a,'//IO_intOut(sum(loadCases%incs))//&
',a,'//IO_intOut(stepFraction)//&
',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),& 'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-',stepFraction, '/', subStepFactor**cutBackLevel '-',stepFraction, '/', subStepFactor**cutBackLevel
flush(6) flush(6)
@ -373,11 +366,9 @@ program DAMASK_FEM
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then if (all(solres(:)%converged)) then
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report converged inc write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
' increment ', totalIncsCounter, ' converged'
else else
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged'
' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6) endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency

12
src/results.f90
View File

@ -452,9 +452,9 @@ end subroutine results_writeScalarDataset_rotation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_constituent(phaseAt,memberAt,label) subroutine results_mapping_constituent(phaseAt,memberAt,label)
integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element) integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element)
integer, dimension(:,:,:), intent(in) :: memberAt !< phase member at (constituent,IP,element) integer, dimension(:,:,:), intent(in) :: memberAt !< phase member at (constituent,IP,element)
character(len=64), dimension(:), intent(in) :: label !< label of each phase section character(len=pStringLen), dimension(:), intent(in) :: label !< label of each phase section
integer, dimension(size(memberAt,1),size(memberAt,2),size(memberAt,3)) :: & integer, dimension(size(memberAt,1),size(memberAt,2),size(memberAt,3)) :: &
phaseAt_perIP, & phaseAt_perIP, &
@ -587,9 +587,9 @@ end subroutine results_mapping_constituent
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label) subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element) integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element)
integer, dimension(:,:), intent(in) :: memberAt !< homogenization member at (IP,element) integer, dimension(:,:), intent(in) :: memberAt !< homogenization member at (IP,element)
character(len=64), dimension(:), intent(in) :: label !< label of each homogenization section character(len=pStringLen), dimension(:), intent(in) :: label !< label of each homogenization section
integer, dimension(size(memberAt,1),size(memberAt,2)) :: & integer, dimension(size(memberAt,1),size(memberAt,2)) :: &
homogenizationAt_perIP, & homogenizationAt_perIP, &