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restart does not overwrite existing results

This commit is contained in:
Martin Diehl 2020-05-06 17:50:59 +02:00
parent b891fd4e4e 82661f1757
commit 0f2447d413
7 changed files with 149 additions and 137 deletions
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2
cmake/Compiler-GNU.cmake
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@ -26,7 +26,7 @@ set (COMPILE_FLAGS "${COMPILE_FLAGS} -xf95-cpp-input")
# preprocessor # preprocessor
set (COMPILE_FLAGS "${COMPILE_FLAGS} -fPIC -fPIE") set (COMPILE_FLAGS "${COMPILE_FLAGS} -fPIC -fPIE")
# position independent conde # position independent code
set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132") set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffree-line-length-132")
# restrict line length to the standard 132 characters (lattice.f90 require more characters) # restrict line length to the standard 132 characters (lattice.f90 require more characters)

64
src/CPFEM.f90
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@ -69,7 +69,7 @@ contains
!> @brief call (thread safe) all module initializations !> @brief call (thread safe) all module initializations
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine CPFEM_initAll(el,ip) subroutine CPFEM_initAll(el,ip)
integer(pInt), intent(in) :: el, & !< FE el number integer(pInt), intent(in) :: el, & !< FE el number
ip !< FE integration point number ip !< FE integration point number
@ -83,10 +83,10 @@ subroutine CPFEM_initAll(el,ip)
call math_init call math_init
call rotations_init call rotations_init
call HDF5_utilities_init call HDF5_utilities_init
call results_init call results_init(.false.)
call discretization_marc_init(ip, el) call discretization_marc_init(ip, el)
call lattice_init call lattice_init
call material_init call material_init(.false.)
call constitutive_init call constitutive_init
call crystallite_init call crystallite_init
call homogenization_init call homogenization_init
@ -132,7 +132,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
logical, intent(in) :: parallelExecution !< flag indicating parallel computation of requested IPs logical, intent(in) :: parallelExecution !< flag indicating parallel computation of requested IPs
real(pReal), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector real(pReal), dimension(6), intent(out) :: cauchyStress !< stress as 6 vector
real(pReal), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE) real(pReal), dimension(6,6), intent(out) :: jacobian !< jacobian as 66 tensor (Consistent tangent dcs/dE)
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 real(pReal), dimension (3,3) :: Kirchhoff, & ! Piola-Kirchhoff stress
@ -140,16 +140,16 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
real(pReal), dimension (3,3,3,3) :: H_sym, & real(pReal), dimension (3,3,3,3) :: H_sym, &
H, & H, &
jacobian3333 ! jacobian in Matrix notation jacobian3333 ! jacobian in Matrix notation
integer(pInt) elCP, & ! crystal plasticity element number integer(pInt) elCP, & ! crystal plasticity element number
i, j, k, l, m, n, ph, homog, mySource i, j, k, l, m, n, ph, homog, mySource
logical updateJaco ! flag indicating if Jacobian has to be updated logical updateJaco ! flag indicating if Jacobian has to be updated
real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle real(pReal), parameter :: ODD_STRESS = 1e15_pReal, & !< return value for stress in case of ping pong dummy cycle
ODD_JACOBIAN = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle ODD_JACOBIAN = 1e50_pReal !< return value for jacobian in case of ping pong dummy cycle
elCP = mesh_FEM2DAMASK_elem(elFE) elCP = mesh_FEM2DAMASK_elem(elFE)
if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt & if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt &
.and. elCP == debug_e .and. ip == debug_i) then .and. elCP == debug_e .and. ip == debug_i) then
write(6,'(/,a)') '#############################################' write(6,'(/,a)') '#############################################'
@ -164,16 +164,16 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
write(6,'(a,/)') '# --- terminallyIll --- #' write(6,'(a,/)') '# --- terminallyIll --- #'
write(6,'(a,/)') '#############################################'; flush (6) write(6,'(a,/)') '#############################################'; flush (6)
endif endif
if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) & if (iand(mode, CPFEM_BACKUPJACOBIAN) /= 0_pInt) &
CPFEM_dcsde_knownGood = CPFEM_dcsde CPFEM_dcsde_knownGood = CPFEM_dcsde
if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) & if (iand(mode, CPFEM_RESTOREJACOBIAN) /= 0_pInt) &
CPFEM_dcsde = CPFEM_dcsde_knownGood CPFEM_dcsde = CPFEM_dcsde_knownGood
!*** age results !*** age results
if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward if (iand(mode, CPFEM_AGERESULTS) /= 0_pInt) call CPFEM_forward
!*** collection of FEM input with returning of randomize odd stress and jacobian !*** collection of FEM input with returning of randomize odd stress and jacobian
!* If no parallel execution is required, there is no need to collect FEM input !* If no parallel execution is required, there is no need to collect FEM input
if (.not. parallelExecution) then if (.not. parallelExecution) then
@ -184,7 +184,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
end select chosenThermal1 end select chosenThermal1
materialpoint_F0(1:3,1:3,ip,elCP) = ffn materialpoint_F0(1:3,1:3,ip,elCP) = ffn
materialpoint_F(1:3,1:3,ip,elCP) = ffn1 materialpoint_F(1:3,1:3,ip,elCP) = ffn1
elseif (iand(mode, CPFEM_COLLECT) /= 0_pInt) then elseif (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
@ -199,11 +199,11 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
materialpoint_F(1:3,1:3,ip,elCP) = ffn1 materialpoint_F(1:3,1:3,ip,elCP) = ffn1
CPFEM_calc_done = .false. CPFEM_calc_done = .false.
endif endif
!*** calculation of stress and jacobian !*** calculation of stress and jacobian
if (iand(mode, CPFEM_CALCRESULTS) /= 0_pInt) then 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
validCalculation: if (terminallyIll & validCalculation: if (terminallyIll &
.or. outdatedFFN1 & .or. outdatedFFN1 &
@ -221,7 +221,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal if (rnd < 0.5_pReal) rnd = rnd - 1.0_pReal
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6) CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
!*** deformation gradient is not outdated !*** deformation gradient is not outdated
else validCalculation else validCalculation
updateJaco = mod(cycleCounter,iJacoStiffness) == 0 updateJaco = mod(cycleCounter,iJacoStiffness) == 0
@ -232,7 +232,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) & if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elFE,ip write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elFE,ip
call materialpoint_stressAndItsTangent(updateJaco, dt) call materialpoint_stressAndItsTangent(updateJaco, dt)
!* parallel computation and calulation not yet done !* parallel computation and calulation not yet done
elseif (.not. CPFEM_calc_done) then elseif (.not. CPFEM_calc_done) then
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) & if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
@ -241,22 +241,22 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
call materialpoint_stressAndItsTangent(updateJaco, dt) call materialpoint_stressAndItsTangent(updateJaco, dt)
CPFEM_calc_done = .true. CPFEM_calc_done = .true.
endif endif
!* map stress and stiffness (or return odd values if terminally ill) !* map stress and stiffness (or return odd values if terminally ill)
terminalIllness: if (terminallyIll) then terminalIllness: if (terminallyIll) 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
CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd CPFEM_cs(1:6,ip,elCP) = ODD_STRESS * rnd
CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6) CPFEM_dcsde(1:6,1:6,ip,elCP) = ODD_JACOBIAN * math_identity2nd(6)
else terminalIllness else terminalIllness
! translate from P to CS ! translate from P to CS
Kirchhoff = matmul(materialpoint_P(1:3,1:3,ip,elCP), transpose(materialpoint_F(1:3,1:3,ip,elCP))) Kirchhoff = matmul(materialpoint_P(1:3,1:3,ip,elCP), transpose(materialpoint_F(1:3,1:3,ip,elCP)))
J_inverse = 1.0_pReal / math_det33(materialpoint_F(1:3,1:3,ip,elCP)) J_inverse = 1.0_pReal / math_det33(materialpoint_F(1:3,1:3,ip,elCP))
CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.) CPFEM_cs(1:6,ip,elCP) = math_sym33to6(J_inverse * Kirchhoff,weighted=.false.)
! translate from dP/dF to dCS/dE ! translate from dP/dF to dCS/dE
H = 0.0_pReal H = 0.0_pReal
do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3 do i=1,3; do j=1,3; do k=1,3; do l=1,3; do m=1,3; do n=1,3
@ -267,15 +267,15 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
+ 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) & + 0.5_pReal * ( Kirchhoff(j,l)*math_delta(i,k) + Kirchhoff(i,k)*math_delta(j,l) &
+ Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k)) + Kirchhoff(j,k)*math_delta(i,l) + Kirchhoff(i,l)*math_delta(j,k))
enddo; enddo; enddo; enddo; enddo; enddo enddo; enddo; enddo; enddo; enddo; enddo
forall(i=1:3, j=1:3,k=1:3,l=1:3) & forall(i=1:3, j=1:3,k=1:3,l=1:3) &
H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k)) H_sym(i,j,k,l) = 0.25_pReal * (H(i,j,k,l) + H(j,i,k,l) + H(i,j,l,k) + H(j,i,l,k))
CPFEM_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.) CPFEM_dcsde(1:6,1:6,ip,elCP) = math_sym3333to66(J_inverse * H_sym,weighted=.false.)
endif terminalIllness endif terminalIllness
endif validCalculation endif validCalculation
!* report stress and stiffness !* report stress and stiffness
if ((iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) & if ((iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) &
.and. ((debug_e == elCP .and. debug_i == ip) & .and. ((debug_e == elCP .and. debug_i == ip) &
@ -286,17 +286,17 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
'<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal '<< CPFEM >> Jacobian/GPa at elFE ip ', elFE, ip, transpose(CPFEM_dcsdE(1:6,1:6,ip,elCP))*1.0e-9_pReal
flush(6) flush(6)
endif endif
endif endif
!*** warn if stiffness close to zero !*** warn if stiffness close to zero
if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip) if (all(abs(CPFEM_dcsdE(1:6,1:6,ip,elCP)) < 1e-10_pReal)) call IO_warning(601,elCP,ip)
!*** copy to output if using commercial FEM solver !*** copy to output if using commercial FEM solver
cauchyStress = CPFEM_cs (1:6, ip,elCP) cauchyStress = CPFEM_cs (1:6, ip,elCP)
jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP) jacobian = CPFEM_dcsdE(1:6,1:6,ip,elCP)
!*** remember extreme values of stress ... !*** remember extreme values of stress ...
cauchyStress33 = math_6toSym33(CPFEM_cs(1:6,ip,elCP),weighted=.false.) cauchyStress33 = math_6toSym33(CPFEM_cs(1:6,ip,elCP),weighted=.false.)
if (maxval(cauchyStress33) > debug_stressMax) then if (maxval(cauchyStress33) > debug_stressMax) then

8
src/CPFEM2.f90
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@ -52,13 +52,13 @@ subroutine CPFEM_initAll
call rotations_init call rotations_init
call lattice_init call lattice_init
call HDF5_utilities_init call HDF5_utilities_init
call results_init call results_init(restart=interface_restartInc>0)
#if defined(Mesh) #if defined(Mesh)
call discretization_mesh_init call discretization_mesh_init(restart=interface_restartInc>0)
#elif defined(Grid) #elif defined(Grid)
call discretization_grid_init call discretization_grid_init(restart=interface_restartInc>0)
#endif #endif
call material_init call material_init(restart=interface_restartInc>0)
call constitutive_init call constitutive_init
call crystallite_init call crystallite_init
call homogenization_init call homogenization_init

19
src/grid/discretization_grid.f90
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@ -42,7 +42,9 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief reads the geometry file to obtain information on discretization !> @brief reads the geometry file to obtain information on discretization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine discretization_grid_init subroutine discretization_grid_init(restart)
logical, intent(in) :: restart
include 'fftw3-mpi.f03' include 'fftw3-mpi.f03'
real(pReal), dimension(3) :: & real(pReal), dimension(3) :: &
@ -100,13 +102,14 @@ subroutine discretization_grid_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! store geometry information for post processing ! store geometry information for post processing
call results_openJobFile if(.not. restart) then
call results_closeGroup(results_addGroup('geometry')) call results_openJobFile
call results_addAttribute('grid', grid, 'geometry') call results_closeGroup(results_addGroup('geometry'))
call results_addAttribute('size', geomSize,'geometry') call results_addAttribute('grid', grid, 'geometry')
call results_addAttribute('origin',origin, 'geometry') call results_addAttribute('size', geomSize,'geometry')
call results_closeJobFile call results_addAttribute('origin',origin, 'geometry')
call results_closeJobFile
endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! geometry information required by the nonlocal CP model ! geometry information required by the nonlocal CP model
call geometry_plastic_nonlocal_setIPvolume(reshape([(product(mySize/real(myGrid,pReal)),j=1,product(myGrid))], & call geometry_plastic_nonlocal_setIPvolume(reshape([(product(mySize/real(myGrid,pReal)),j=1,product(myGrid))], &

15
src/material.f90
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@ -207,7 +207,9 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief parses material configuration file !> @brief parses material configuration file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine material_init subroutine material_init(restart)
logical, intent(in) :: restart
integer :: i,e,m,c,h, myDebug, myPhase, myHomog, myMicro integer :: i,e,m,c,h, myDebug, myPhase, myHomog, myMicro
integer, dimension(:), allocatable :: & integer, dimension(:), allocatable :: &
@ -339,11 +341,12 @@ subroutine material_init
call config_deallocate('material.config/microstructure') call config_deallocate('material.config/microstructure')
call config_deallocate('material.config/texture') call config_deallocate('material.config/texture')
call results_openJobFile if (.not. restart) then
call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,config_name_phase) call results_openJobFile
call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,config_name_homogenization) call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,config_name_phase)
call results_closeJobFile call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,config_name_homogenization)
call results_closeJobFile
endif
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! BEGIN DEPRECATED ! BEGIN DEPRECATED

4
src/mesh/discretization_mesh.f90
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@ -63,7 +63,9 @@ contains
!> @brief initializes the mesh by calling all necessary private routines the mesh module !> @brief initializes the mesh by calling all necessary private routines the mesh module
!! Order and routines strongly depend on type of solver !! Order and routines strongly depend on type of solver
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine discretization_mesh_init subroutine discretization_mesh_init(restart)
integer, intent(in) :: restart
integer, dimension(1), parameter:: FE_geomtype = [1] !< geometry type of particular element type integer, dimension(1), parameter:: FE_geomtype = [1] !< geometry type of particular element type
integer, dimension(1) :: FE_Nips !< number of IPs in a specific type of element integer, dimension(1) :: FE_Nips !< number of IPs in a specific type of element

174
src/results.f90
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@ -15,31 +15,31 @@ module results
implicit none implicit none
private private
integer(HID_T) :: resultsFile integer(HID_T) :: resultsFile
interface results_writeDataset interface results_writeDataset
module procedure results_writeTensorDataset_real module procedure results_writeTensorDataset_real
module procedure results_writeVectorDataset_real module procedure results_writeVectorDataset_real
module procedure results_writeScalarDataset_real module procedure results_writeScalarDataset_real
module procedure results_writeTensorDataset_int module procedure results_writeTensorDataset_int
module procedure results_writeVectorDataset_int module procedure results_writeVectorDataset_int
module procedure results_writeScalarDataset_rotation module procedure results_writeScalarDataset_rotation
end interface results_writeDataset end interface results_writeDataset
interface results_addAttribute interface results_addAttribute
module procedure results_addAttribute_real module procedure results_addAttribute_real
module procedure results_addAttribute_int module procedure results_addAttribute_int
module procedure results_addAttribute_str module procedure results_addAttribute_str
module procedure results_addAttribute_int_array module procedure results_addAttribute_int_array
module procedure results_addAttribute_real_array module procedure results_addAttribute_real_array
end interface results_addAttribute end interface results_addAttribute
public :: & public :: &
@ -59,7 +59,9 @@ module results
results_mapping_materialpoint results_mapping_materialpoint
contains contains
subroutine results_init subroutine results_init(restart)
logical, intent(in) :: restart
character(len=pStringLen) :: commandLine character(len=pStringLen) :: commandLine
@ -68,15 +70,17 @@ subroutine results_init
write(6,'(/,a)') ' Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017' write(6,'(/,a)') ' Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
write(6,'(a)') ' https://doi.org/10.1007/s40192-017-0084-5' write(6,'(a)') ' https://doi.org/10.1007/s40192-017-0084-5'
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.) if(.not. restart) then
call results_addAttribute('DADF5_version_major',0) resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
call results_addAttribute('DADF5_version_minor',6) call results_addAttribute('DADF5_version_major',0)
call results_addAttribute('DAMASK_version',DAMASKVERSION) call results_addAttribute('DADF5_version_minor',6)
call get_command(commandLine) call results_addAttribute('DAMASK_version',DAMASKVERSION)
call results_addAttribute('call',trim(commandLine)) call get_command(commandLine)
call results_closeGroup(results_addGroup('mapping')) call results_addAttribute('call',trim(commandLine))
call results_closeGroup(results_addGroup('mapping/cellResults')) call results_closeGroup(results_addGroup('mapping'))
call results_closeJobFile call results_closeGroup(results_addGroup('mapping/cellResults'))
call results_closeJobFile
endif
end subroutine results_init end subroutine results_init
@ -87,7 +91,7 @@ end subroutine results_init
subroutine results_openJobFile subroutine results_openJobFile
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.) resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.)
end subroutine results_openJobFile end subroutine results_openJobFile
@ -105,7 +109,7 @@ end subroutine results_closeJobFile
!> @brief creates the group of increment and adds time as attribute to the file !> @brief creates the group of increment and adds time as attribute to the file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addIncrement(inc,time) subroutine results_addIncrement(inc,time)
integer, intent(in) :: inc integer, intent(in) :: inc
real(pReal), intent(in) :: time real(pReal), intent(in) :: time
character(len=pStringLen) :: incChar character(len=pStringLen) :: incChar
@ -137,7 +141,7 @@ end subroutine results_finalizeIncrement
integer(HID_T) function results_openGroup(groupName) integer(HID_T) function results_openGroup(groupName)
character(len=*), intent(in) :: groupName character(len=*), intent(in) :: groupName
results_openGroup = HDF5_openGroup(resultsFile,groupName) results_openGroup = HDF5_openGroup(resultsFile,groupName)
end function results_openGroup end function results_openGroup
@ -149,7 +153,7 @@ end function results_openGroup
integer(HID_T) function results_addGroup(groupName) integer(HID_T) function results_addGroup(groupName)
character(len=*), intent(in) :: groupName character(len=*), intent(in) :: groupName
results_addGroup = HDF5_addGroup(resultsFile,groupName) results_addGroup = HDF5_addGroup(resultsFile,groupName)
end function results_addGroup end function results_addGroup
@ -161,7 +165,7 @@ end function results_addGroup
subroutine results_closeGroup(group_id) subroutine results_closeGroup(group_id)
integer(HID_T), intent(in) :: group_id integer(HID_T), intent(in) :: group_id
call HDF5_closeGroup(group_id) call HDF5_closeGroup(group_id)
end subroutine results_closeGroup end subroutine results_closeGroup
@ -290,17 +294,17 @@ subroutine results_writeScalarDataset_real(group,dataset,label,description,SIuni
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
real(pReal), intent(inout), dimension(:) :: dataset real(pReal), intent(inout), dimension(:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -319,17 +323,17 @@ subroutine results_writeVectorDataset_real(group,dataset,label,description,SIuni
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
real(pReal), intent(inout), dimension(:,:) :: dataset real(pReal), intent(inout), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -350,13 +354,13 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
logical, intent(in), optional :: transposed logical, intent(in), optional :: transposed
real(pReal), intent(in), dimension(:,:,:) :: dataset real(pReal), intent(in), dimension(:,:,:) :: dataset
integer :: i integer :: i
logical :: transposed_ logical :: transposed_
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
real(pReal), dimension(:,:,:), allocatable :: dataset_transposed real(pReal), dimension(:,:,:), allocatable :: dataset_transposed
if(present(transposed)) then if(present(transposed)) then
transposed_ = transposed transposed_ = transposed
else else
@ -374,13 +378,13 @@ subroutine results_writeTensorDataset_real(group,dataset,label,description,SIuni
endif endif
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset_transposed,label,.true.) call HDF5_write(groupHandle,dataset_transposed,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset_transposed,label,.false.) call HDF5_write(groupHandle,dataset_transposed,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -400,17 +404,17 @@ subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
integer, intent(inout), dimension(:,:) :: dataset integer, intent(inout), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -430,17 +434,17 @@ subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
integer, intent(inout), dimension(:,:,:) :: dataset integer, intent(inout), dimension(:,:,:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) & if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
@ -460,17 +464,17 @@ subroutine results_writeScalarDataset_rotation(group,dataset,label,description,l
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: lattice_structure character(len=*), intent(in), optional :: lattice_structure
type(rotation), intent(inout), dimension(:) :: dataset type(rotation), intent(inout), dimension(:) :: dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = results_openGroup(group)
#ifdef PETSc #ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.) call HDF5_write(groupHandle,dataset,label,.true.)
#else #else
call HDF5_write(groupHandle,dataset,label,.false.) call HDF5_write(groupHandle,dataset,label,.false.)
#endif #endif
if (HDF5_objectExists(groupHandle,label)) & if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label) call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(lattice_structure)) & if (HDF5_objectExists(groupHandle,label) .and. present(lattice_structure)) &
@ -486,11 +490,11 @@ end subroutine results_writeScalarDataset_rotation
!> @brief adds the unique mapping from spatial position and constituent ID to results !> @brief adds the unique mapping from spatial position and constituent ID to results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_constituent(phaseAt,memberAtLocal,label) subroutine results_mapping_constituent(phaseAt,memberAtLocal,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) :: memberAtLocal !< phase member at (constituent,IP,element) integer, dimension(:,:,:), intent(in) :: memberAtLocal !< phase member at (constituent,IP,element)
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each phase section character(len=pStringLen), dimension(:), intent(in) :: label !< label of each phase section
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2),size(memberAtLocal,3)) :: & integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2),size(memberAtLocal,3)) :: &
phaseAtMaterialpoint, & phaseAtMaterialpoint, &
memberAtGlobal memberAtGlobal
@ -500,7 +504,7 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
myShape, & !< shape of the dataset (this process) myShape, & !< shape of the dataset (this process)
myOffset, & myOffset, &
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer(HID_T) :: & integer(HID_T) :: &
loc_id, & !< identifier of group in file loc_id, & !< identifier of group in file
dtype_id, & !< identifier of compound data type dtype_id, & !< identifier of compound data type
@ -512,30 +516,30 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
plist_id, & plist_id, &
dt_id dt_id
integer(SIZE_T) :: type_size_string, type_size_int integer(SIZE_T) :: type_size_string, type_size_int
integer :: ierr, i integer :: ierr, i
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! compound type: name of phase section + position/index within results array ! compound type: name of phase section + position/index within results array
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, ierr) call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, ierr)
call h5tset_size_f(dt_id, int(len(label(1)),SIZE_T), ierr) call h5tset_size_f(dt_id, int(len(label(1)),SIZE_T), ierr)
call h5tget_size_f(dt_id, type_size_string, ierr) call h5tget_size_f(dt_id, type_size_string, ierr)
call h5tget_size_f(H5T_NATIVE_INTEGER, type_size_int, ierr) call h5tget_size_f(H5T_NATIVE_INTEGER, type_size_int, ierr)
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, ierr)
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,ierr) call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,ierr)
call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr) call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type ! create memory types for each component of the compound type
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, ierr)
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, ierr) call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, ierr)
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, ierr)
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, ierr) call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, ierr)
call h5tclose_f(dt_id, ierr) call h5tclose_f(dt_id, ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -553,10 +557,10 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
#ifdef PETSc #ifdef PETSc
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr) call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5pset_dxpl_mpio_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5pset_dxpl_mpio_f')
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process
if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_constituent: MPI_allreduce/writeSize') if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_constituent: MPI_allreduce/writeSize')
call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process
if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_constituent: MPI_allreduce/memberOffset') if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_constituent: MPI_allreduce/memberOffset')
#endif #endif
@ -564,15 +568,15 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
myShape = int([size(phaseAt,1),writeSize(worldrank)], HSIZE_T) myShape = int([size(phaseAt,1),writeSize(worldrank)], HSIZE_T)
myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T) myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([size(phaseAt,1),sum(writeSize)], HSIZE_T) totalShape = int([size(phaseAt,1),sum(writeSize)], HSIZE_T)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape = hyperslab) and in file (global shape) ! create dataspace in memory (local shape = hyperslab) and in file (global shape)
call h5screate_simple_f(2,myShape,memspace_id,ierr,myShape) call h5screate_simple_f(2,myShape,memspace_id,ierr,myShape)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5screate_simple_f/memspace_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5screate_simple_f/memspace_id')
call h5screate_simple_f(2,totalShape,filespace_id,ierr,totalShape) call h5screate_simple_f(2,totalShape,filespace_id,ierr,totalShape)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5screate_simple_f/filespace_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5screate_simple_f/filespace_id')
call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, ierr) call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5sselect_hyperslab_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5sselect_hyperslab_f')
@ -581,7 +585,7 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
do i = 1, size(phaseAtMaterialpoint,2) do i = 1, size(phaseAtMaterialpoint,2)
phaseAtMaterialpoint(:,i,:) = phaseAt phaseAtMaterialpoint(:,i,:) = phaseAt
enddo enddo
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! renumber member from my process to all processes ! renumber member from my process to all processes
do i = 1, size(label) do i = 1, size(label)
@ -591,11 +595,11 @@ subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write the components of the compound type individually ! write the components of the compound type individually
call h5pset_preserve_f(plist_id, .TRUE., ierr) call h5pset_preserve_f(plist_id, .TRUE., ierr)
loc_id = results_openGroup('/mapping/cellResults') loc_id = results_openGroup('/mapping/cellResults')
call h5dcreate_f(loc_id, 'constituent', dtype_id, filespace_id, dset_id, ierr) call h5dcreate_f(loc_id, 'constituent', dtype_id, filespace_id, dset_id, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dcreate_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dcreate_f')
call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAtMaterialpoint,.true.)),myShape), & call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAtMaterialpoint,.true.)),myShape), &
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id) myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/name_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/name_id')
@ -621,11 +625,11 @@ end subroutine results_mapping_constituent
!> @brief adds the unique mapping from spatial position and constituent ID to results !> @brief adds the unique mapping from spatial position and constituent ID to results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label) subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element) integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element)
integer, dimension(:,:), intent(in) :: memberAtLocal !< homogenization member at (IP,element) integer, dimension(:,:), intent(in) :: memberAtLocal !< homogenization member at (IP,element)
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each homogenization section character(len=pStringLen), dimension(:), intent(in) :: label !< label of each homogenization section
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2)) :: & integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2)) :: &
homogenizationAtMaterialpoint, & homogenizationAtMaterialpoint, &
memberAtGlobal memberAtGlobal
@ -635,7 +639,7 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
myShape, & !< shape of the dataset (this process) myShape, & !< shape of the dataset (this process)
myOffset, & myOffset, &
totalShape !< shape of the dataset (all processes) totalShape !< shape of the dataset (all processes)
integer(HID_T) :: & integer(HID_T) :: &
loc_id, & !< identifier of group in file loc_id, & !< identifier of group in file
dtype_id, & !< identifier of compound data type dtype_id, & !< identifier of compound data type
@ -647,30 +651,30 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
plist_id, & plist_id, &
dt_id dt_id
integer(SIZE_T) :: type_size_string, type_size_int integer(SIZE_T) :: type_size_string, type_size_int
integer :: ierr, i integer :: ierr, i
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! compound type: name of phase section + position/index within results array ! compound type: name of phase section + position/index within results array
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, ierr) call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, ierr)
call h5tset_size_f(dt_id, int(len(label(1)),SIZE_T), ierr) call h5tset_size_f(dt_id, int(len(label(1)),SIZE_T), ierr)
call h5tget_size_f(dt_id, type_size_string, ierr) call h5tget_size_f(dt_id, type_size_string, ierr)
call h5tget_size_f(H5T_NATIVE_INTEGER, type_size_int, ierr) call h5tget_size_f(H5T_NATIVE_INTEGER, type_size_int, ierr)
call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, ierr)
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,ierr) call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt_id,ierr)
call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr) call h5tinsert_f(dtype_id, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type ! create memory types for each component of the compound type
call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_string, name_id, ierr)
call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, ierr) call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt_id, ierr)
call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, ierr) call h5tcreate_f(H5T_COMPOUND_F, type_size_int, position_id, ierr)
call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, ierr) call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_NATIVE_INTEGER, ierr)
call h5tclose_f(dt_id, ierr) call h5tclose_f(dt_id, ierr)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -688,10 +692,10 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
#ifdef PETSc #ifdef PETSc
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr) call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5pset_dxpl_mpio_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5pset_dxpl_mpio_f')
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get output at each process
if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_materialpoint: MPI_allreduce/writeSize') if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_materialpoint: MPI_allreduce/writeSize')
call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process call MPI_allreduce(MPI_IN_PLACE,memberOffset,size(memberOffset),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr)! get offset at each process
if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_materialpoint: MPI_allreduce/memberOffset') if (ierr /= 0) call IO_error(894,ext_msg='results_mapping_materialpoint: MPI_allreduce/memberOffset')
#endif #endif
@ -699,15 +703,15 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
myShape = int([writeSize(worldrank)], HSIZE_T) myShape = int([writeSize(worldrank)], HSIZE_T)
myOffset = int([sum(writeSize(0:worldrank-1))], HSIZE_T) myOffset = int([sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([sum(writeSize)], HSIZE_T) totalShape = int([sum(writeSize)], HSIZE_T)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape = hyperslab) and in file (global shape) ! create dataspace in memory (local shape = hyperslab) and in file (global shape)
call h5screate_simple_f(1,myShape,memspace_id,ierr,myShape) call h5screate_simple_f(1,myShape,memspace_id,ierr,myShape)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5screate_simple_f/memspace_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5screate_simple_f/memspace_id')
call h5screate_simple_f(1,totalShape,filespace_id,ierr,totalShape) call h5screate_simple_f(1,totalShape,filespace_id,ierr,totalShape)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5screate_simple_f/filespace_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5screate_simple_f/filespace_id')
call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, ierr) call h5sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5sselect_hyperslab_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5sselect_hyperslab_f')
@ -716,7 +720,7 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
do i = 1, size(homogenizationAtMaterialpoint,1) do i = 1, size(homogenizationAtMaterialpoint,1)
homogenizationAtMaterialpoint(i,:) = homogenizationAt homogenizationAtMaterialpoint(i,:) = homogenizationAt
enddo enddo
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
! renumber member from my process to all processes ! renumber member from my process to all processes
do i = 1, size(label) do i = 1, size(label)
@ -726,11 +730,11 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write the components of the compound type individually ! write the components of the compound type individually
call h5pset_preserve_f(plist_id, .TRUE., ierr) call h5pset_preserve_f(plist_id, .TRUE., ierr)
loc_id = results_openGroup('/mapping/cellResults') loc_id = results_openGroup('/mapping/cellResults')
call h5dcreate_f(loc_id, 'materialpoint', dtype_id, filespace_id, dset_id, ierr) call h5dcreate_f(loc_id, 'materialpoint', dtype_id, filespace_id, dset_id, ierr)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dcreate_f') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dcreate_f')
call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAtMaterialpoint,.true.)),myShape), & call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAtMaterialpoint,.true.)),myShape), &
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id) myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/name_id') if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/name_id')