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DAMASK_EICMD
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DAMASK_EICMD/src/results.f90

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clearer separation of tasks 1) general HDF5_utilities (for results, restart, ...) 2) results related helpers (based on HDF5_utilities)
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!--------------------------------------------------------------------------------------------------
!> @author Vitesh Shah, Max-Planck-Institut für Eisenforschung GmbH
!> @author Yi-Chin Yang, Max-Planck-Institut für Eisenforschung GmbH
!> @author Jennifer Nastola, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!--------------------------------------------------------------------------------------------------
compile results module
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module results
create results file
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use HDF5_utilities
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#ifdef PETSc
use PETSC
#endif
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implicit none
private
integer(HID_T), public, protected :: tempCoordinates, tempResults
integer(HID_T), private :: resultsFile, currentIncID, plist_id
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interface results_writeDataset
module procedure results_writeTensorDataset_real
module procedure results_writeTensorDataset_int
module procedure results_writeVectorDataset_real
module procedure results_writeVectorDataset_int
module procedure results_writeScalarDataset_real
end interface results_writeDataset
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public :: &
results_init, &
results_openJobFile, &
results_closeJobFile, &
results_addIncrement, &
results_addGroup, &
results_openGroup, &
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results_writeDataset, &
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results_setLink, &
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results_addAttribute, &
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results_removeLink
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contains
compile results module
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subroutine results_init
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use DAMASK_interface, only: &
getSolverJobName
implicit none
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character(len=pStringLen) :: commandLine
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write(6,'(/,a)') ' <<<+- results init -+>>>'
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write(6,'(/,a)') ' Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
write(6,'(a)') ' https://doi.org/10.1007/s40192-018-0118-7'
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resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
call HDF5_addAttribute(resultsFile,'DADF5-version',0.1)
call HDF5_addAttribute(resultsFile,'DADF5-major',0)
call HDF5_addAttribute(resultsFile,'DADF5-minor',1)
call HDF5_addAttribute(resultsFile,'DAMASK',DAMASKVERSION)
call get_command(commandLine)
call HDF5_addAttribute(resultsFile,'call',trim(commandLine))
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call HDF5_closeGroup(results_addGroup('mapping'))
call HDF5_closeGroup(results_addGroup('mapping/cellResults'))
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call HDF5_closeFile(resultsFile)
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compile results module
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end subroutine results_init
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!--------------------------------------------------------------------------------------------------
!> @brief opens the results file to append data
!--------------------------------------------------------------------------------------------------
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subroutine results_openJobFile
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use DAMASK_interface, only: &
getSolverJobName
reporting command line call
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implicit none
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resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.)
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end subroutine results_openJobFile
!--------------------------------------------------------------------------------------------------
!> @brief closes the results file
!--------------------------------------------------------------------------------------------------
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subroutine results_closeJobFile
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implicit none
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call HDF5_closeFile(resultsFile)
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end subroutine results_closeJobFile
!--------------------------------------------------------------------------------------------------
!> @brief closes the results file
!--------------------------------------------------------------------------------------------------
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subroutine results_addIncrement(inc,time)
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implicit none
integer(pInt), intent(in) :: inc
real(pReal), intent(in) :: time
character(len=pStringLen) :: incChar
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write(incChar,'(i5.5)') inc ! allow up to 99999 increments
call HDF5_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar)))))
call results_setLink(trim('inc'//trim(adjustl(incChar))),'current')
call HDF5_addAttribute(resultsFile,'time/s',time,trim('inc'//trim(adjustl(incChar))))
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end subroutine results_addIncrement
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!--------------------------------------------------------------------------------------------------
create results file
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!> @brief open a group from the results file
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!--------------------------------------------------------------------------------------------------
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integer(HID_T) function results_openGroup(groupName)
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implicit none
character(len=*), intent(in) :: groupName
results_openGroup = HDF5_openGroup(resultsFile,groupName)
create results file
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end function results_openGroup
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!--------------------------------------------------------------------------------------------------
!> @brief adds a new group to the results file
!--------------------------------------------------------------------------------------------------
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integer(HID_T) function results_addGroup(groupName)
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implicit none
character(len=*), intent(in) :: groupName
results_addGroup = HDF5_addGroup(resultsFile,groupName)
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end function results_addGroup
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!--------------------------------------------------------------------------------------------------
!> @brief set link to object in results file
!--------------------------------------------------------------------------------------------------
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subroutine results_setLink(path,link)
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implicit none
character(len=*), intent(in) :: path, link
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call HDF5_setLink(resultsFile,path,link)
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end subroutine results_setLink
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!--------------------------------------------------------------------------------------------------
!> @brief adds an attribute to an object
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute(attrLabel,attrValue,path)
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implicit none
character(len=*), intent(in) :: attrLabel, attrValue, path
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call HDF5_addAttribute_str(resultsFile,attrLabel, attrValue, path)
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end subroutine results_addAttribute
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!--------------------------------------------------------------------------------------------------
!> @brief remove link to an object
!--------------------------------------------------------------------------------------------------
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subroutine results_removeLink(link)
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implicit none
character(len=*), intent(in) :: link
integer :: hdferr
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call h5ldelete_f(resultsFile,link, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'results_removeLink: h5ldelete_soft_f ('//trim(link)//')')
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end subroutine results_removeLink
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!--------------------------------------------------------------------------------------------------
!> @brief stores a scalar dataset in a group
!--------------------------------------------------------------------------------------------------
subroutine results_writeScalarDataset_real(group,dataset,label,description,SIunit)
implicit none
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
real(pReal), intent(inout), dimension(:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
#ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.)
#endif
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeScalarDataset_real
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!--------------------------------------------------------------------------------------------------
!> @brief stores a vector dataset in a group
!--------------------------------------------------------------------------------------------------
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subroutine results_writeVectorDataset_real(group,dataset,label,description,SIunit)
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implicit none
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
real(pReal), intent(inout), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
#ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.)
#endif
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief stores a tensor dataset in a group
!--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_real(group,dataset,label,description,SIunit)
implicit none
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
real(pReal), intent(inout), dimension(:,:,:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
#ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.)
#endif
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief stores a vector dataset in a group
!--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_int(group,dataset,label,description,SIunit)
implicit none
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
integer, intent(inout), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle
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groupHandle = results_openGroup(group)
#ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.)
#endif
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_int
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!--------------------------------------------------------------------------------------------------
!> @brief stores a vector dataset in a group
!--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit)
implicit none
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
integer, intent(inout), dimension(:,:,:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
#ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.)
#endif
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(SIunit)) &
call HDF5_addAttribute(groupHandle,'Unit',SIunit,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_int
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!--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results
!--------------------------------------------------------------------------------------------------
subroutine HDF5_mapping_phase(phaseAt,memberAt,label)
use numerics, only: &
worldrank, &
worldsize
integer, dimension(:,:), intent(in) :: phaseAt
integer, dimension(:,:,:), intent(in) :: memberAt
character(len=64), dimension(:), intent(in) :: label
integer, dimension(:,:), allocatable :: memberAt_global
integer, dimension(size(label),0:worldsize-1) :: members
integer, dimension(0:worldsize-1) :: writeSize
integer(HID_T) :: loc_id, dtype_id, dset_id, space_id, name_id, plist_id, dt5_id
integer(HID_T), dimension(size(memberAt,1)) :: position_id
integer(SIZE_T) :: typesize, type_size_string, type_size_int, type_size_compound
integer :: ierr, i
character(len=1) :: constituent_number
memberAt_global = reshape(memberAt,[size(memberAt,1),size(memberAt)/size(memberAt,1)])
!---------------------------------------------------------------------------------------------------
! property list for transfer properties (needed for MPI)
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, ierr)
!---------------------------------------------------------------------------------------------------
! compound type: name of phase section + position(s) within results array
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt5_id, ierr)
call h5tset_size_f(dt5_id, int(len(label(1)),SIZE_T), ierr)
call h5tget_size_f(dt5_id, type_size_string, ierr)
call h5tget_size_f(H5T_STD_I32LE, type_size_int, ierr)
type_size_compound = type_size_string + type_size_int*size(memberAt,1) ! total size of derived type
call h5tcreate_f(H5T_COMPOUND_F, type_size_compound, dtype_id, ierr)
call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt5_id, ierr)
do i=1, size(memberAt,1)
write(constituent_number, '(i0)') i
call h5tinsert_f(dtype_id, "Index "//trim(constituent_number),type_size_string+(i-1)*type_size_int,&
H5T_STD_I32LE, ierr)
enddo
!--------------------------------------------------------------------------------------------------
! Create memory types for each component of the compound type
call h5tcreate_f(H5T_COMPOUND_F, int(type_size_string,SIZE_T), name_id, ierr)
call h5tinsert_f(name_id, "Name",0_SIZE_T, dt5_id, ierr)
do i=1, size(memberAt,1)
write(constituent_number, '(i0)') i
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id(i), ierr)
call h5tinsert_f(position_id(i), "Index "//trim(constituent_number), 0_SIZE_T, H5T_STD_I32LE, ierr)
enddo
!--------------------------------------------------------------------------------------------------
! Prepare MPI communication (transparent for non-MPI runs)
members = 0
do i=1, size(label)
members(i,worldrank) = count(memberAt == i) ! number of points/instance of this process
enddo
writeSize = 0
writeSize(worldrank) = sum(members(:,worldrank)) ! total number of points by this process
#ifdef PETSc
call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, ierr)
if (ierr < 0) call IO_error(1,ext_msg='IO_mappingConstituent: h5pset_dxpl_mpio_f')
call MPI_allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process
if (ierr /= 0) call IO_error(894_pInt,ext_msg='IO_mappingConstituent: MPI_allreduce')
call MPI_allreduce(MPI_IN_PLACE,members,size(members),MPI_INT,MPI_SUM,PETSC_COMM_WORLD,ierr) ! get total output size over each process
if (ierr /= 0) call IO_error(894_pInt,ext_msg='IO_mappingConstituent: MPI_allreduce')
#endif
members(:,worldrank) = sum(members(:,0:worldrank-1),2) ! starting id for each instance of this process
loc_id = results_openGroup('/mapping/cellResults')
call HDF5_closeGroup(loc_id)
end subroutine
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!!--------------------------------------------------------------------------------------------------
!!> @brief adds the unique mapping from spatial position and constituent ID to results
!!--------------------------------------------------------------------------------------------------
!subroutine HDF5_mappingPhase(mapping,mapping2,Nconstituents,material_phase,phase_name,dataspace_size,mpiOffset,mpiOffset_phase)
! implicit none
! integer(pInt), intent(in) :: Nconstituents, dataspace_size, mpiOffset
! integer(pInt), intent(in), dimension(:) :: mapping, mapping2
! character(len=*), intent(in), dimension(:) :: phase_name
! integer(pInt), intent(in), dimension(:) :: mpiOffset_phase
! integer(pInt), intent(in), dimension(:,:,:) :: material_phase
! character(len=len(phase_name(1))), dimension(:), allocatable :: namesNA
! character(len=len(phase_name(1))) :: a
! character(len=*), parameter :: n = "NULL"
! integer(pInt) :: hdferr, NmatPoints, i, j, k
! integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, name_id, position_id, plist_id, memspace
! integer(HID_T) :: dt5_id ! Memory datatype identifier
! integer(SIZE_T) :: typesize, type_sizec, type_sizei, type_size
! integer(HSIZE_T), dimension(2) :: counter
! integer(HSSIZE_T), dimension(2) :: fileOffset
! integer(pInt), dimension(:,:), allocatable :: arrOffset
! a = n
! allocate(namesNA(0:size(phase_name)),source=[a,phase_name])
! NmatPoints = size(mapping,1)/Nconstituents
! mapping_ID = results_openGroup("current/mapGeometry")
! allocate(arrOffset(Nconstituents,NmatPoints))
! do i=1_pInt, NmatPoints
! do k=1_pInt, Nconstituents
! do j=1_pInt, size(phase_name)
! if(material_phase(k,1,i) == j) &
! arrOffset(k,i) = mpiOffset_phase(j)
! enddo
! enddo
! enddo
!!--------------------------------------------------------------------------------------------------
!! create dataspace
! call h5screate_simple_f(2, int([Nconstituents,dataspace_size],HSIZE_T), space_id, hdferr, &
! int([Nconstituents,dataspace_size],HSIZE_T))
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping')
!!--------------------------------------------------------------------------------------------------
!! compound type
! ! First calculate total size by calculating sizes of each member
! !
! CALL h5tcopy_f(H5T_NATIVE_CHARACTER, dt5_id, hdferr)
! typesize = len(phase_name(1))
! CALL h5tset_size_f(dt5_id, typesize, hdferr)
! CALL h5tget_size_f(dt5_id, type_sizec, hdferr)
! CALL h5tget_size_f(H5T_STD_I32LE,type_sizei, hdferr)
! type_size = type_sizec + type_sizei
! call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping: h5tcreate_f dtype_id')
! call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt5_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tinsert_f 0')
! call h5tinsert_f(dtype_id, "Position", type_sizec, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tinsert_f 2')
!!--------------------------------------------------------------------------------------------------
!! create Dataset
! call h5dcreate_f(mapping_id, 'constitutive', dtype_id, space_id, dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase')
!!--------------------------------------------------------------------------------------------------
!! Create memory types (one compound datatype for each member)
! call h5tcreate_f(H5T_COMPOUND_F, int(type_sizec,SIZE_T), name_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tcreate_f instance_id')
! call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt5_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tinsert_f instance_id')
! call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tcreate_f position_id')
! call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tinsert_f position_id')
!!--------------------------------------------------------------------------------------------------
!! Define and select hyperslabs
! counter(1) = Nconstituents ! how big i am
! counter(2) = NmatPoints
! fileOffset(1) = 0 ! where i start to write my data
! fileOffset(2) = mpiOffset
! call h5screate_simple_f(2, counter, memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5screate_simple_f')
! call h5dget_space_f(dset_id, space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5dget_space_f')
! call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5sselect_hyperslab_f')
!!--------------------------------------------------------------------------------------------------
! ! Create property list for collective dataset write
!#ifdef PETSc
! call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5pcreate_f')
! call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5pset_dxpl_mpio_f')
!#endif
!!--------------------------------------------------------------------------------------------------
!! write data by fields in the datatype. Fields order is not important.
! call h5dwrite_f(dset_id, name_id, reshape(namesNA(mapping),[Nconstituents,NmatPoints]), &
! int([Nconstituents, dataspace_size],HSIZE_T), hdferr, &
! file_space_id = space_id, mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5dwrite_f position_id')
! call h5dwrite_f(dset_id, position_id, reshape(mapping2-1_pInt,[Nconstituents,NmatPoints])+arrOffset, &
! int([Nconstituents, dataspace_size],HSIZE_T), hdferr, &
! file_space_id = space_id, mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
!! close types, dataspaces
! call h5tclose_f(dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tclose_f dtype_id')
! call h5tclose_f(position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tclose_f position_id')
! call h5tclose_f(name_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tclose_f name_id ')
! call h5tclose_f(dt5_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5tclose_f dt5_id')
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5sclose_f space_id')
! call h5sclose_f(memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5sclose_f memspace')
! call h5pclose_f(plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingPhase: h5pclose_f')
! call HDF5_closeGroup(mapping_ID)
!end subroutine HDF5_mappingPhase
!!--------------------------------------------------------------------------------------------------
!!> @brief adds the backward mapping from spatial position and constituent ID to results
!!--------------------------------------------------------------------------------------------------
!subroutine HDF5_backwardMappingPhase(material_phase,phasememberat,phase_name,dataspace_size,mpiOffset,mpiOffset_phase)
! use hdf5
! implicit none
! integer(pInt), intent(in), dimension(:,:,:) :: material_phase, phasememberat
! character(len=*), intent(in), dimension(:) :: phase_name
! integer(pInt), intent(in), dimension(:) :: dataspace_size, mpiOffset_phase
! integer(pInt), intent(in) :: mpiOffset
! integer(pInt) :: hdferr, NmatPoints, Nconstituents, i, j
! integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, position_id, plist_id, memspace
! integer(SIZE_T) :: type_size
! integer(pInt), dimension(:,:), allocatable :: arr
! integer(HSIZE_T), dimension(1) :: counter
! integer(HSSIZE_T), dimension(1) :: fileOffset
! character(len=64) :: phaseID
! Nconstituents = size(phasememberat,1)
! NmatPoints = count(material_phase /=0_pInt)/Nconstituents
! allocate(arr(2,NmatPoints*Nconstituents))
! do i=1_pInt, NmatPoints
! do j=Nconstituents-1_pInt, 0_pInt, -1_pInt
! arr(1,Nconstituents*i-j) = i-1_pInt
! enddo
! enddo
! arr(2,:) = pack(material_phase,material_phase/=0_pInt)
! do i=1_pInt, size(phase_name)
! write(phaseID, '(i0)') i
! mapping_ID = results_openGroup('/current/constitutive/'//trim(phaseID)//'_'//phase_name(i))
! NmatPoints = count(material_phase == i)
!!--------------------------------------------------------------------------------------------------
! ! create dataspace
! call h5screate_simple_f(1, int([dataspace_size(i)],HSIZE_T), space_id, hdferr, &
! int([dataspace_size(i)],HSIZE_T))
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping')
!!--------------------------------------------------------------------------------------------------
! ! compound type
! call h5tget_size_f(H5T_STD_I32LE, type_size, hdferr)
! call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping: h5tcreate_f dtype_id')
! call h5tinsert_f(dtype_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tinsert_f 0')
!!--------------------------------------------------------------------------------------------------
! ! create Dataset
! call h5dcreate_f(mapping_id, 'mapGeometry', dtype_id, space_id, dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase')
!!--------------------------------------------------------------------------------------------------
! ! Create memory types (one compound datatype for each member)
! call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tcreate_f position_id')
! call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tinsert_f position_id')
!!--------------------------------------------------------------------------------------------------
! ! Define and select hyperslabs
! counter = NmatPoints ! how big i am
! fileOffset = mpiOffset_phase(i) ! where i start to write my data
! call h5screate_simple_f(1, counter, memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5screate_simple_f')
! call h5dget_space_f(dset_id, space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5dget_space_f')
! call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5sselect_hyperslab_f')
!!--------------------------------------------------------------------------------------------------
! ! Create property list for collective dataset write
!#ifdef PETSc
! call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5pcreate_f')
! call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5pset_dxpl_mpio_f')
!#endif
!!--------------------------------------------------------------------------------------------------
! ! write data by fields in the datatype. Fields order is not important.
! call h5dwrite_f(dset_id, position_id, pack(arr(1,:),arr(2,:)==i)+mpiOffset, int([dataspace_size(i)],HSIZE_T),&
! hdferr, file_space_id = space_id, mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
! !close types, dataspaces
! call h5tclose_f(dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tclose_f dtype_id')
! call h5tclose_f(position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5tclose_f position_id')
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5sclose_f space_id')
! call h5sclose_f(memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5sclose_f memspace')
! call h5pclose_f(plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingPhase: h5pclose_f')
! call HDF5_closeGroup(mapping_ID)
! enddo
!end subroutine HDF5_backwardMappingPhase
!!--------------------------------------------------------------------------------------------------
!!> @brief adds the unique mapping from spatial position and constituent ID to results
!!--------------------------------------------------------------------------------------------------
!subroutine HDF5_mappingHomog(material_homog,homogmemberat,homogenization_name,dataspace_size,mpiOffset,mpiOffset_homog)
! use hdf5
! implicit none
! integer(pInt), intent(in), dimension(:,:) :: material_homog, homogmemberat
! character(len=*), intent(in), dimension(:) :: homogenization_name
! integer(pInt), intent(in), dimension(:) :: mpiOffset_homog
! integer(pInt), intent(in) :: dataspace_size, mpiOffset
! integer(pInt) :: hdferr, NmatPoints, i, j
! integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, name_id, position_id, plist_id, memspace
! integer(HID_T) :: dt5_id ! Memory datatype identifier
! integer(SIZE_T) :: typesize, type_sizec, type_sizei, type_size
! integer(HSIZE_T), dimension(1) :: counter
! integer(HSSIZE_T), dimension(1) :: fileOffset
! integer(pInt), dimension(:), allocatable :: arrOffset
! NmatPoints = count(material_homog /=0_pInt)
! mapping_ID = results_openGroup("current/mapGeometry")
! allocate(arrOffset(NmatPoints))
! do i=1_pInt, NmatPoints
! do j=1_pInt, size(homogenization_name)
! if(material_homog(1,i) == j) &
! arrOffset(i) = mpiOffset_homog(j)
! enddo
! enddo
!!--------------------------------------------------------------------------------------------------
!! create dataspace
! call h5screate_simple_f(1, int([dataspace_size],HSIZE_T), space_id, hdferr, &
! int([dataspace_size],HSIZE_T))
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping')
!!--------------------------------------------------------------------------------------------------
!! compound type
! ! First calculate total size by calculating sizes of each member
! !
! CALL h5tcopy_f(H5T_NATIVE_CHARACTER, dt5_id, hdferr)
! typesize = len(homogenization_name(1))
! CALL h5tset_size_f(dt5_id, typesize, hdferr)
! CALL h5tget_size_f(dt5_id, type_sizec, hdferr)
! CALL h5tget_size_f(H5T_STD_I32LE,type_sizei, hdferr)
! type_size = type_sizec + type_sizei
! call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping: h5tcreate_f dtype_id')
! call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt5_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tinsert_f 0')
! call h5tinsert_f(dtype_id, "Position", type_sizec, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tinsert_f 2')
!!--------------------------------------------------------------------------------------------------
!! create Dataset
! call h5dcreate_f(mapping_id, 'homogenization', dtype_id, space_id, dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog')
!!--------------------------------------------------------------------------------------------------
!! Create memory types (one compound datatype for each member)
! call h5tcreate_f(H5T_COMPOUND_F, int(type_sizec,SIZE_T), name_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tcreate_f instance_id')
! call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt5_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tinsert_f instance_id')
! call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tcreate_f position_id')
! call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tinsert_f position_id')
!!--------------------------------------------------------------------------------------------------
!! Define and select hyperslabs
! counter = NmatPoints ! how big i am
! fileOffset = mpiOffset ! where i start to write my data
! call h5screate_simple_f(1, counter, memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5screate_simple_f')
! call h5dget_space_f(dset_id, space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5dget_space_f')
! call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5sselect_hyperslab_f')
!!--------------------------------------------------------------------------------------------------
!! Create property list for collective dataset write
!#ifdef PETSc
! call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5pcreate_f')
! call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5pset_dxpl_mpio_f')
!#endif
!!--------------------------------------------------------------------------------------------------
!! write data by fields in the datatype. Fields order is not important.
! call h5dwrite_f(dset_id, name_id, homogenization_name(pack(material_homog,material_homog/=0_pInt)), &
! int([dataspace_size],HSIZE_T), hdferr, file_space_id = space_id, &
! mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5dwrite_f position_id')
! call h5dwrite_f(dset_id, position_id, pack(homogmemberat-1_pInt,homogmemberat/=0_pInt) + arrOffset, &
! int([dataspace_size],HSIZE_T), hdferr, file_space_id = space_id, &
! mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
!!close types, dataspaces
!call h5tclose_f(dtype_id, hdferr)
!if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tclose_f dtype_id')
!call h5tclose_f(position_id, hdferr)
!if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tclose_f position_id')
!call h5tclose_f(name_id, hdferr)
!if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tclose_f name_id ')
!call h5tclose_f(dt5_id, hdferr)
!if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5tclose_f dt5_id')
!call h5dclose_f(dset_id, hdferr)
!if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5dclose_f')
!call h5sclose_f(space_id, hdferr)
!if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5sclose_f space_id')
!call h5sclose_f(memspace, hdferr)
!if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5sclose_f memspace')
!call h5pclose_f(plist_id, hdferr)
!if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomog: h5pclose_f')
!call HDF5_closeGroup(mapping_ID)
!end subroutine HDF5_mappingHomog
!!--------------------------------------------------------------------------------------------------
!!> @brief adds the backward mapping from spatial position and constituent ID to results
!!--------------------------------------------------------------------------------------------------
!subroutine HDF5_backwardMappingHomog(material_homog,homogmemberat,homogenization_name,dataspace_size,mpiOffset,mpiOffset_homog)
! use hdf5
! implicit none
! integer(pInt), intent(in), dimension(:,:) :: material_homog, homogmemberat
! character(len=*), intent(in), dimension(:) :: homogenization_name
! integer(pInt), intent(in), dimension(:) :: dataspace_size, mpiOffset_homog
! integer(pInt), intent(in) :: mpiOffset
! integer(pInt) :: hdferr, NmatPoints, i
! integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, position_id, plist_id, memspace
! integer(SIZE_T) :: type_size
! integer(pInt), dimension(:,:), allocatable :: arr
! integer(HSIZE_T), dimension(1) :: counter
! integer(HSSIZE_T), dimension(1) :: fileOffset
! character(len=64) :: homogID
! NmatPoints = count(material_homog /=0_pInt)
! allocate(arr(2,NmatPoints))
! arr(1,:) = (/(i, i=0_pint,NmatPoints-1_pInt)/)
! arr(2,:) = pack(material_homog,material_homog/=0_pInt)
! do i=1_pInt, size(homogenization_name)
! write(homogID, '(i0)') i
! mapping_ID = results_openGroup('/current/homogenization/'//trim(homogID)//'_'//homogenization_name(i))
!!--------------------------------------------------------------------------------------------------
! ! create dataspace
! call h5screate_simple_f(1, int([dataspace_size(i)],HSIZE_T), space_id, hdferr, &
! int([dataspace_size(i)],HSIZE_T))
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping')
!!--------------------------------------------------------------------------------------------------
! ! compound type
! call h5tget_size_f(H5T_STD_I32LE, type_size, hdferr)
! call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping: h5tcreate_f dtype_id')
! call h5tinsert_f(dtype_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tinsert_f 0')
!!--------------------------------------------------------------------------------------------------
! ! create Dataset
! call h5dcreate_f(mapping_id, 'mapGeometry', dtype_id, space_id, dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog')
!!--------------------------------------------------------------------------------------------------
! ! Create memory types (one compound datatype for each member)
! call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tcreate_f position_id')
! call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tinsert_f position_id')
!!--------------------------------------------------------------------------------------------------
! ! Define and select hyperslabs
! counter = NmatPoints ! how big i am
! fileOffset = mpiOffset_homog(i) ! where i start to write my data
! call h5screate_simple_f(1, counter, memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5screate_simple_f')
! call h5dget_space_f(dset_id, space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5dget_space_f')
! call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5sselect_hyperslab_f')
!!--------------------------------------------------------------------------------------------------
! ! Create property list for collective dataset write
!#ifdef PETSc
! call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5pcreate_f')
! call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5pset_dxpl_mpio_f')
!#endif
!!--------------------------------------------------------------------------------------------------
! ! write data by fields in the datatype. Fields order is not important.
! call h5dwrite_f(dset_id, position_id, pack(arr(1,:),arr(2,:)==i)+mpiOffset,int([dataspace_size(i)],HSIZE_T),&
! hdferr, file_space_id = space_id, mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
! !close types, dataspaces
! call h5tclose_f(dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tclose_f dtype_id')
! call h5tclose_f(position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5tclose_f position_id')
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5sclose_f space_id')
! call h5sclose_f(memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5sclose_f memspace')
! call h5pclose_f(plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingHomog: h5pclose_f')
! call HDF5_closeGroup(mapping_ID)
! enddo
!end subroutine HDF5_backwardMappingHomog
!!--------------------------------------------------------------------------------------------------
!!> @brief adds the unique mapping from spatial position and constituent ID to results
!!--------------------------------------------------------------------------------------------------
!subroutine HDF5_mappingCrystallite(crystalliteAt,crystmemberAt,crystallite_name,dataspace_size,mpiOffset,mpiOffset_cryst)
! use hdf5
! implicit none
! integer(pInt), intent(in), dimension(:,:) :: crystalliteAt
! integer(pInt), intent(in), dimension(:,:,:) :: crystmemberAt
! character(len=*), intent(in), dimension(:) :: crystallite_name
! integer(pInt), intent(in), dimension(:) :: mpiOffset_cryst
! integer(pInt), intent(in) :: dataspace_size, mpiOffset
! integer :: hdferr
! integer(pInt) :: NmatPoints, Nconstituents, i, j
! integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, name_id, plist_id, memspace
! integer(HID_T), dimension(:), allocatable :: position_id
! integer(HID_T) :: dt5_id ! Memory datatype identifier
! integer(SIZE_T) :: typesize, type_sizec, type_sizei, type_size
! integer(HSIZE_T), dimension(1) :: counter
! integer(HSSIZE_T), dimension(1) :: fileOffset
! integer(pInt), dimension(:), allocatable :: arrOffset
! character(len=64) :: m
! Nconstituents = size(crystmemberAt,1)
! NmatPoints = count(crystalliteAt /=0_pInt)
! mapping_ID = results_openGroup("current/mapGeometry")
! allocate(position_id(Nconstituents))
! allocate(arrOffset(NmatPoints))
! do i=1_pInt, NmatPoints
! do j=1_pInt, size(crystallite_name)
! if(crystalliteAt(1,i) == j) &
! arrOffset(i) = Nconstituents*mpiOffset_cryst(j)
! enddo
! enddo
!!--------------------------------------------------------------------------------------------------
!! create dataspace
! call h5screate_simple_f(1, int([dataspace_size],HSIZE_T), space_id, hdferr, &
! int([dataspace_size],HSIZE_T))
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping')
!!--------------------------------------------------------------------------------------------------
!! compound type
! ! First calculate total size by calculating sizes of each member
! !
! CALL h5tcopy_f(H5T_NATIVE_CHARACTER, dt5_id, hdferr)
! typesize = len(crystallite_name(1))
! CALL h5tset_size_f(dt5_id, typesize, hdferr)
! CALL h5tget_size_f(dt5_id, type_sizec, hdferr)
! CALL h5tget_size_f(H5T_STD_I32LE, type_sizei, hdferr)
! type_size = type_sizec + type_sizei*Nconstituents
! call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeMapping: h5tcreate_f dtype_id')
! call h5tinsert_f(dtype_id, "Name", 0_SIZE_T, dt5_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f 0')
! do i=1_pInt, Nconstituents
! write(m, '(i0)') i
! call h5tinsert_f(dtype_id, "Position "//trim(m), type_sizec+(i-1)*type_sizei, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f 2 '//trim(m))
! enddo
!!--------------------------------------------------------------------------------------------------
!! create Dataset
! call h5dcreate_f(mapping_id, 'crystallite', dtype_id, space_id, dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite')
!!--------------------------------------------------------------------------------------------------
!! Create memory types (one compound datatype for each member)
! call h5tcreate_f(H5T_COMPOUND_F, int(type_sizec,SIZE_T), name_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tcreate_f instance_id')
! call h5tinsert_f(name_id, "Name", 0_SIZE_T, dt5_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f instance_id')
! do i=1_pInt, Nconstituents
! write(m, '(i0)') i
! call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id(i), hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tcreate_f position_id')
! call h5tinsert_f(position_id(i), "Position "//trim(m), 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f position_id')
! enddo
!!--------------------------------------------------------------------------------------------------
!! Define and select hyperslabs
! counter = NmatPoints ! how big i am
! fileOffset = mpiOffset ! where i start to write my data
! call h5screate_simple_f(1, counter, memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5screate_simple_f')
! call h5dget_space_f(dset_id, space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dget_space_f')
! call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5sselect_hyperslab_f')
!!--------------------------------------------------------------------------------------------------
! ! Create property list for collective dataset write
!#ifdef PETSc
! call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5pcreate_f')
! call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5pset_dxpl_mpio_f')
!#endif
!!--------------------------------------------------------------------------------------------------
!! write data by fields in the datatype. Fields order is not important.
! call h5dwrite_f(dset_id, name_id, crystallite_name(pack(crystalliteAt,crystalliteAt/=0_pInt)), &
! int([dataspace_size],HSIZE_T), hdferr, file_space_id = space_id, &
! mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dwrite_f position_id')
! do i=1_pInt, Nconstituents
! call h5dwrite_f(dset_id, position_id(i), pack(crystmemberAt(i,:,:)-1_pInt,crystmemberAt(i,:,:)/=0_pInt)+arrOffset,&
! int([dataspace_size],HSIZE_T), hdferr, file_space_id = space_id, &
! mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dwrite_f instance_id')
! enddo
!!--------------------------------------------------------------------------------------------------
!!close types, dataspaces
! call h5tclose_f(dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f dtype_id')
! do i=1_pInt, Nconstituents
! call h5tclose_f(position_id(i), hdferr)
! enddo
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f position_id')
! call h5tclose_f(name_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f name_id')
! call h5tclose_f(dt5_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f dt5_id')
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5sclose_f space_id')
! call h5sclose_f(memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5sclose_f memspace')
! call h5pclose_f(plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5pclose_f')
! call HDF5_closeGroup(mapping_ID)
!end subroutine HDF5_mappingCrystallite
!!--------------------------------------------------------------------------------------------------
!!> @brief adds the backward mapping from spatial position and constituent ID to results
!!--------------------------------------------------------------------------------------------------
!subroutine HDF5_backwardMappingCrystallite(crystalliteAt,crystmemberAt,crystallite_name,dataspace_size,mpiOffset,mpiOffset_cryst)
! use hdf5
! implicit none
! integer(pInt), intent(in), dimension(:,:) :: crystalliteAt
! integer(pInt), intent(in), dimension(:,:,:) :: crystmemberAt
! character(len=*), intent(in), dimension(:) :: crystallite_name
! integer(pInt), intent(in), dimension(:) :: dataspace_size, mpiOffset_cryst
! integer(pInt), intent(in) :: mpiOffset
! integer :: hdferr
! integer(pInt) :: NmatPoints, Nconstituents, i, j
! integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id, position_id, plist_id, memspace
! integer(SIZE_T) :: type_size
! integer(pInt), dimension(:,:), allocatable :: h_arr, arr
! integer(HSIZE_T), dimension(1) :: counter
! integer(HSSIZE_T), dimension(1) :: fileOffset
! character(len=64) :: crystallID
! Nconstituents = size(crystmemberAt,1)
! NmatPoints = count(crystalliteAt /=0_pInt)
! allocate(h_arr(2,NmatPoints))
! allocate(arr(2,Nconstituents*NmatPoints))
! h_arr(1,:) = (/(i, i=0_pInt,NmatPoints-1_pInt)/)
! h_arr(2,:) = pack(crystalliteAt,crystalliteAt/=0_pInt)
! do i=1_pInt, NmatPoints
! do j=Nconstituents-1_pInt, 0_pInt, -1_pInt
! arr(1,Nconstituents*i-j) = h_arr(1,i)
! arr(2,Nconstituents*i-j) = h_arr(2,i)
! enddo
! enddo
! do i=1_pInt, size(crystallite_name)
! if (crystallite_name(i) == 'none') cycle
! write(crystallID, '(i0)') i
! mapping_ID = results_openGroup('/current/crystallite/'//trim(crystallID)//'_'//crystallite_name(i))
! NmatPoints = count(crystalliteAt == i)
!!--------------------------------------------------------------------------------------------------
! ! create dataspace
! call h5screate_simple_f(1, int([Nconstituents*dataspace_size(i)],HSIZE_T), space_id, hdferr, &
! int([Nconstituents*dataspace_size(i)],HSIZE_T))
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping')
!!--------------------------------------------------------------------------------------------------
! ! compound type
! call h5tget_size_f(H5T_STD_I32LE, type_size, hdferr)
! call h5tcreate_f(H5T_COMPOUND_F, type_size, dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_writeBackwardMapping: h5tcreate_f dtype_id')
! call h5tinsert_f(dtype_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tinsert_f 0')
!!--------------------------------------------------------------------------------------------------
! ! create Dataset
! call h5dcreate_f(mapping_id, 'mapGeometry', dtype_id, space_id, dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite')
!!--------------------------------------------------------------------------------------------------
! ! Create memory types
! call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tcreate_f position_id')
! call h5tinsert_f(position_id, "Position", 0_SIZE_T, H5T_STD_I32LE, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tinsert_f position_id')
!!--------------------------------------------------------------------------------------------------
! ! Define and select hyperslabs
! counter = Nconstituents*NmatPoints ! how big i am
! fileOffset = Nconstituents*mpiOffset_cryst(i) ! where i start to write my data
! call h5screate_simple_f(1, counter, memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5screate_simple_f')
! call h5dget_space_f(dset_id, space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5dget_space_f')
! call h5sselect_hyperslab_f(space_id, H5S_SELECT_SET_F, fileOffset, counter, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5sselect_hyperslab_f')
!!--------------------------------------------------------------------------------------------------
! ! Create property list for collective dataset write
!#ifdef PETSc
! call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5pcreate_f')
! call h5pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5pset_dxpl_mpio_f')
!#endif
!!--------------------------------------------------------------------------------------------------
! ! write data by fields in the datatype. Fields order is not important.
! call h5dwrite_f(dset_id, position_id, pack(arr(1,:),arr(2,:)==i) + mpiOffset,&
! int([Nconstituents*dataspace_size(i)],HSIZE_T), hdferr, file_space_id = space_id, &
! mem_space_id = memspace, xfer_prp = plist_id)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
! !close types, dataspaces
! call h5tclose_f(dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tclose_f dtype_id')
! call h5tclose_f(position_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5tclose_f position_id')
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5sclose_f space_id')
! call h5sclose_f(memspace, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5sclose_f memspace')
! call h5pclose_f(plist_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_backwardMappingCrystallite: h5pclose_f')
! call HDF5_closeGroup(mapping_ID)
! enddo
!end subroutine HDF5_backwardMappingCrystallite
!!--------------------------------------------------------------------------------------------------
!!> @brief adds the unique cell to node mapping
!!--------------------------------------------------------------------------------------------------
!subroutine HDF5_mappingCells(mapping)
! use hdf5
! implicit none
! integer(pInt), intent(in), dimension(:) :: mapping
! integer :: hdferr, Nnodes
! integer(HID_T) :: mapping_id, dset_id, space_id
! Nnodes=size(mapping)
! mapping_ID = results_openGroup("mapping")
!!--------------------------------------------------------------------------------------------------
!! create dataspace
! call h5screate_simple_f(1, int([Nnodes],HSIZE_T), space_id, hdferr, &
! int([Nnodes],HSIZE_T))
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells: h5screate_simple_f')
!!--------------------------------------------------------------------------------------------------
!! create Dataset
! call h5dcreate_f(mapping_id, "Cell",H5T_NATIVE_INTEGER, space_id, dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells')
!!--------------------------------------------------------------------------------------------------
!! write data by fields in the datatype. Fields order is not important.
! call h5dwrite_f(dset_id, H5T_NATIVE_INTEGER, mapping, int([Nnodes],HSIZE_T), hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
!!close types, dataspaces
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5sclose_f')
! call HDF5_closeGroup(mapping_ID)
!end subroutine HDF5_mappingCells
clearer separation of tasks 1) general HDF5_utilities (for results, restart, ...) 2) results related helpers (based on HDF5_utilities)
2018-11-15 11:19:31 +05:30
compile results module
2018-11-18 16:02:53 +05:30
end module results