!--------------------------------------------------------------------------------------------------
!> @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
!--------------------------------------------------------------------------------------------------
module results
use DAMASK_interface
use rotations
use numerics
use HDF5_utilities
#ifdef PETSc
use PETSC
#endif
implicit none
private
integer(HID_T) :: resultsFile
interface results_writeDataset
module procedure results_writeTensorDataset_real
module procedure results_writeVectorDataset_real
module procedure results_writeScalarDataset_real
module procedure results_writeTensorDataset_int
module procedure results_writeVectorDataset_int
module procedure results_writeScalarDataset_rotation
end interface results_writeDataset
interface results_addAttribute
module procedure results_addAttribute_real
module procedure results_addAttribute_int
module procedure results_addAttribute_str
module procedure results_addAttribute_int_array
module procedure results_addAttribute_real_array
end interface results_addAttribute
public :: &
results_init, &
results_openJobFile, &
results_closeJobFile, &
results_addIncrement, &
results_finalizeIncrement, &
results_addGroup, &
results_openGroup, &
results_closeGroup, &
results_writeDataset, &
results_setLink, &
results_addAttribute, &
results_removeLink, &
results_mapping_constituent, &
results_mapping_materialpoint
contains
subroutine results_init
character(len=pStringLen) :: commandLine
write(6,'(/,a)') ' <<<+- results init -+>>>'
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'
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
call results_addAttribute('DADF5_version_major',0)
call results_addAttribute('DADF5_version_minor',6)
call results_addAttribute('DAMASK_version',DAMASKVERSION)
call get_command(commandLine)
call results_addAttribute('call',trim(commandLine))
call results_closeGroup(results_addGroup('mapping'))
call results_closeGroup(results_addGroup('mapping/cellResults'))
call results_closeJobFile
end subroutine results_init
!--------------------------------------------------------------------------------------------------
!> @brief opens the results file to append data
!--------------------------------------------------------------------------------------------------
subroutine results_openJobFile
resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','a',.true.)
end subroutine results_openJobFile
!--------------------------------------------------------------------------------------------------
!> @brief closes the results file
!--------------------------------------------------------------------------------------------------
subroutine results_closeJobFile
call HDF5_closeFile(resultsFile)
end subroutine results_closeJobFile
!--------------------------------------------------------------------------------------------------
!> @brief creates the group of increment and adds time as attribute to the file
!--------------------------------------------------------------------------------------------------
subroutine results_addIncrement(inc,time)
integer, intent(in) :: inc
real(pReal), intent(in) :: time
character(len=pStringLen) :: incChar
write(incChar,'(i10)') inc
call results_closeGroup(results_addGroup(trim('inc'//trim(adjustl(incChar)))))
call results_setLink(trim('inc'//trim(adjustl(incChar))),'current')
call results_addAttribute('time/s',time,trim('inc'//trim(adjustl(incChar))))
call results_closeGroup(results_addGroup('current/constituent'))
call results_closeGroup(results_addGroup('current/materialpoint'))
end subroutine results_addIncrement
!--------------------------------------------------------------------------------------------------
!> @brief finalize increment
!> @details remove soft link
!--------------------------------------------------------------------------------------------------
subroutine results_finalizeIncrement
call results_removeLink('current')
end subroutine results_finalizeIncrement
!--------------------------------------------------------------------------------------------------
!> @brief open a group from the results file
!--------------------------------------------------------------------------------------------------
integer(HID_T) function results_openGroup(groupName)
character(len=*), intent(in) :: groupName
results_openGroup = HDF5_openGroup(resultsFile,groupName)
end function results_openGroup
!--------------------------------------------------------------------------------------------------
!> @brief adds a new group to the results file
!--------------------------------------------------------------------------------------------------
integer(HID_T) function results_addGroup(groupName)
character(len=*), intent(in) :: groupName
results_addGroup = HDF5_addGroup(resultsFile,groupName)
end function results_addGroup
!--------------------------------------------------------------------------------------------------
!> @brief close a group
!--------------------------------------------------------------------------------------------------
subroutine results_closeGroup(group_id)
integer(HID_T), intent(in) :: group_id
call HDF5_closeGroup(group_id)
end subroutine results_closeGroup
!--------------------------------------------------------------------------------------------------
!> @brief set link to object in results file
!--------------------------------------------------------------------------------------------------
subroutine results_setLink(path,link)
character(len=*), intent(in) :: path, link
call HDF5_setLink(resultsFile,path,link)
end subroutine results_setLink
!--------------------------------------------------------------------------------------------------
!> @brief adds a string attribute to an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_str(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_str
!--------------------------------------------------------------------------------------------------
!> @brief adds an integer attribute an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel
integer, intent(in) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_int
!--------------------------------------------------------------------------------------------------
!> @brief adds a real attribute an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel
real(pReal), intent(in) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_real
!--------------------------------------------------------------------------------------------------
!> @brief adds an integer array attribute an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel
integer, intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_int_array
!--------------------------------------------------------------------------------------------------
!> @brief adds a real array attribute an object in the results file
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel
real(pReal), intent(in), dimension(:) :: attrValue
character(len=*), intent(in), optional :: path
if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path)
else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue)
endif
end subroutine results_addAttribute_real_array
!--------------------------------------------------------------------------------------------------
!> @brief remove link to an object
!--------------------------------------------------------------------------------------------------
subroutine results_removeLink(link)
character(len=*), intent(in) :: link
integer :: hdferr
call h5ldelete_f(resultsFile,link, hdferr)
if (hdferr < 0) call IO_error(1,ext_msg = 'results_removeLink: h5ldelete_soft_f ('//trim(link)//')')
end subroutine results_removeLink
!--------------------------------------------------------------------------------------------------
!> @brief stores a scalar dataset in a group
!--------------------------------------------------------------------------------------------------
subroutine results_writeScalarDataset_real(group,dataset,label,description,SIunit)
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.)
#else
call HDF5_write(groupHandle,dataset,label,.false.)
#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)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeScalarDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief stores a vector dataset in a group
!--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_real(group,dataset,label,description,SIunit)
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.)
#else
call HDF5_write(groupHandle,dataset,label,.false.)
#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)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,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,transposed)
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
logical, intent(in), optional :: transposed
real(pReal), intent(in), dimension(:,:,:) :: dataset
integer :: i
logical :: transposed_
integer(HID_T) :: groupHandle
real(pReal), dimension(:,:,:), allocatable :: dataset_transposed
if(present(transposed)) then
transposed_ = transposed
else
transposed_ = .true.
endif
if(transposed_) then
if(size(dataset,1) /= size(dataset,2)) call IO_error(0,ext_msg='transpose non-symmetric tensor')
allocate(dataset_transposed,mold=dataset)
do i=1,size(dataset_transposed,3)
dataset_transposed(:,:,i) = transpose(dataset(:,:,i))
enddo
else
allocate(dataset_transposed,source=dataset)
endif
groupHandle = results_openGroup(group)
#ifdef PETSc
call HDF5_write(groupHandle,dataset_transposed,label,.true.)
#else
call HDF5_write(groupHandle,dataset_transposed,label,.false.)
#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)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,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)
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.)
#else
call HDF5_write(groupHandle,dataset,label,.false.)
#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)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_int
!--------------------------------------------------------------------------------------------------
!> @brief stores a tensor dataset in a group
!--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_int(group,dataset,label,description,SIunit)
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.)
#else
call HDF5_write(groupHandle,dataset,label,.false.)
#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)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_int
!--------------------------------------------------------------------------------------------------
!> @brief stores a scalar dataset in a group
!--------------------------------------------------------------------------------------------------
subroutine results_writeScalarDataset_rotation(group,dataset,label,description,lattice_structure)
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: lattice_structure
type(rotation), intent(inout), dimension(:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
#ifdef PETSc
call HDF5_write(groupHandle,dataset,label,.true.)
#else
call HDF5_write(groupHandle,dataset,label,.false.)
#endif
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Description',description,label)
if (HDF5_objectExists(groupHandle,label) .and. present(lattice_structure)) &
call HDF5_addAttribute(groupHandle,'Lattice',lattice_structure,label)
if (HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(groupHandle,'Creator','DAMASK '//DAMASKVERSION,label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeScalarDataset_rotation
!--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results
!--------------------------------------------------------------------------------------------------
subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element)
integer, dimension(:,:,:), intent(in) :: memberAtLocal !< phase member at (constituent,IP,element)
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each phase section
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2),size(memberAtLocal,3)) :: &
phaseAtMaterialpoint, &
memberAtGlobal
integer, dimension(size(label),0:worldsize-1) :: memberOffset !< offset in member counting per process
integer, dimension(0:worldsize-1) :: writeSize !< amount of data written per process
integer(HSIZE_T), dimension(2) :: &
myShape, & !< shape of the dataset (this process)
myOffset, &
totalShape !< shape of the dataset (all processes)
integer(HID_T) :: &
loc_id, & !< identifier of group in file
dtype_id, & !< identifier of compound data type
name_id, & !< identifier of name (string) in compound data type
position_id, & !< identifier of position/index (integer) in compound data type
dset_id, &
memspace_id, &
filespace_id, &
plist_id, &
dt_id
integer(SIZE_T) :: type_size_string, type_size_int
integer :: ierr, i
!---------------------------------------------------------------------------------------------------
! compound type: name of phase section + position/index within results array
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, 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(H5T_NATIVE_INTEGER, type_size_int, 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, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr)
!--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type
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 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 h5tclose_f(dt_id, ierr)
!--------------------------------------------------------------------------------------------------
! prepare MPI communication (transparent for non-MPI runs)
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, ierr)
memberOffset = 0
do i=1, size(label)
memberOffset(i,worldrank) = count(phaseAt == i)*size(memberAtLocal,2) ! number of points/instance of this process
enddo
writeSize = 0
writeSize(worldrank) = size(memberAtLocal(1,:,:)) ! total number of points by this process
!--------------------------------------------------------------------------------------------------
! MPI settings and communication
#ifdef PETSc
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')
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')
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')
#endif
myShape = int([size(phaseAt,1),writeSize(worldrank)], HSIZE_T)
myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([size(phaseAt,1),sum(writeSize)], HSIZE_T)
!--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape = hyperslab) and in file (global shape)
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')
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')
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')
!---------------------------------------------------------------------------------------------------
! expand phaseAt to consider IPs (is not stored per IP)
do i = 1, size(phaseAtMaterialpoint,2)
phaseAtMaterialpoint(:,i,:) = phaseAt
enddo
!---------------------------------------------------------------------------------------------------
! renumber member from my process to all processes
do i = 1, size(label)
where(phaseAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) -1 ! convert to 0-based
enddo
!--------------------------------------------------------------------------------------------------
! write the components of the compound type individually
call h5pset_preserve_f(plist_id, .TRUE., ierr)
loc_id = results_openGroup('/mapping/cellResults')
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')
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)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/name_id')
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAtGlobal,.true.),myShape), &
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/position_id')
!--------------------------------------------------------------------------------------------------
! close all
call HDF5_closeGroup(loc_id)
call h5pclose_f(plist_id, ierr)
call h5sclose_f(filespace_id, ierr)
call h5sclose_f(memspace_id, ierr)
call h5dclose_f(dset_id, ierr)
call h5tclose_f(dtype_id, ierr)
call h5tclose_f(name_id, ierr)
call h5tclose_f(position_id, ierr)
end subroutine results_mapping_constituent
!--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results
!--------------------------------------------------------------------------------------------------
subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element)
integer, dimension(:,:), intent(in) :: memberAtLocal !< homogenization member at (IP,element)
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each homogenization section
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2)) :: &
homogenizationAtMaterialpoint, &
memberAtGlobal
integer, dimension(size(label),0:worldsize-1) :: memberOffset !< offset in member counting per process
integer, dimension(0:worldsize-1) :: writeSize !< amount of data written per process
integer(HSIZE_T), dimension(1) :: &
myShape, & !< shape of the dataset (this process)
myOffset, &
totalShape !< shape of the dataset (all processes)
integer(HID_T) :: &
loc_id, & !< identifier of group in file
dtype_id, & !< identifier of compound data type
name_id, & !< identifier of name (string) in compound data type
position_id, & !< identifier of position/index (integer) in compound data type
dset_id, &
memspace_id, &
filespace_id, &
plist_id, &
dt_id
integer(SIZE_T) :: type_size_string, type_size_int
integer :: ierr, i
!---------------------------------------------------------------------------------------------------
! compound type: name of phase section + position/index within results array
call h5tcopy_f(H5T_NATIVE_CHARACTER, dt_id, 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(H5T_NATIVE_INTEGER, type_size_int, 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, "Position", type_size_string, H5T_NATIVE_INTEGER, ierr)
!--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type
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 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 h5tclose_f(dt_id, ierr)
!--------------------------------------------------------------------------------------------------
! prepare MPI communication (transparent for non-MPI runs)
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, ierr)
memberOffset = 0
do i=1, size(label)
memberOffset(i,worldrank) = count(homogenizationAt == i)*size(memberAtLocal,1) ! number of points/instance of this process
enddo
writeSize = 0
writeSize(worldrank) = size(memberAtLocal) ! total number of points by this process
!--------------------------------------------------------------------------------------------------
! MPI settings and communication
#ifdef PETSc
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')
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')
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')
#endif
myShape = int([writeSize(worldrank)], HSIZE_T)
myOffset = int([sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([sum(writeSize)], HSIZE_T)
!--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape = hyperslab) and in file (global shape)
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')
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')
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')
!---------------------------------------------------------------------------------------------------
! expand phaseAt to consider IPs (is not stored per IP)
do i = 1, size(homogenizationAtMaterialpoint,1)
homogenizationAtMaterialpoint(i,:) = homogenizationAt
enddo
!---------------------------------------------------------------------------------------------------
! renumber member from my process to all processes
do i = 1, size(label)
where(homogenizationAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) - 1 ! convert to 0-based
enddo
!--------------------------------------------------------------------------------------------------
! write the components of the compound type individually
call h5pset_preserve_f(plist_id, .TRUE., ierr)
loc_id = results_openGroup('/mapping/cellResults')
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')
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)
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/name_id')
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAtGlobal,.true.),myShape), &
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/position_id')
!--------------------------------------------------------------------------------------------------
! close all
call HDF5_closeGroup(loc_id)
call h5pclose_f(plist_id, ierr)
call h5sclose_f(filespace_id, ierr)
call h5sclose_f(memspace_id, ierr)
call h5dclose_f(dset_id, ierr)
call h5tclose_f(dtype_id, ierr)
call h5tclose_f(name_id, ierr)
call h5tclose_f(position_id, ierr)
end subroutine results_mapping_materialpoint
!!--------------------------------------------------------------------------------------------------
!!> @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)
! 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)/Nconstituents
! allocate(arr(2,NmatPoints*Nconstituents))
! do i=1, NmatPoints
! do j=Nconstituents-1, 0, -1
! arr(1,Nconstituents*i-j) = i-1
! enddo
! enddo
! arr(2,:) = pack(material_phase,material_phase/=0)
! do i=1, 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,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,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,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,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,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,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,ext_msg='IO_backwardMappingPhase: h5screate_simple_f')
! call h5dget_space_f(dset_id, space_id, hdferr)
! if (hdferr < 0) call IO_error(1,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,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,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,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,ext_msg='IO_backwardMappingPhase: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
! !close types, dataspaces
! call h5tclose_f(dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingPhase: h5tclose_f dtype_id')
! call h5tclose_f(position_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingPhase: h5tclose_f position_id')
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingPhase: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingPhase: h5sclose_f space_id')
! call h5sclose_f(memspace, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingPhase: h5sclose_f memspace')
! call h5pclose_f(plist_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingPhase: h5pclose_f')
! call HDF5_closeGroup(mapping_ID)
! enddo
!end subroutine HDF5_backwardMappingPhase
!!--------------------------------------------------------------------------------------------------
!!> @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)
! 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)
! allocate(arr(2,NmatPoints))
! arr(1,:) = (/(i, i=0,NmatPoints-1)/)
! arr(2,:) = pack(material_homog,material_homog/=0)
! do i=1, 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,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,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,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,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,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,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,ext_msg='IO_backwardMappingHomog: h5screate_simple_f')
! call h5dget_space_f(dset_id, space_id, hdferr)
! if (hdferr < 0) call IO_error(1,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,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,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,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,ext_msg='IO_backwardMappingHomog: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
! !close types, dataspaces
! call h5tclose_f(dtype_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingHomog: h5tclose_f dtype_id')
! call h5tclose_f(position_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingHomog: h5tclose_f position_id')
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingHomog: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingHomog: h5sclose_f space_id')
! call h5sclose_f(memspace, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingHomog: h5sclose_f memspace')
! call h5pclose_f(plist_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_backwardMappingHomog: h5pclose_f')
! call HDF5_closeGroup(mapping_ID)
! enddo
!end subroutine HDF5_backwardMappingHomog
!!--------------------------------------------------------------------------------------------------
!!> @brief adds the unique cell to node mapping
!!--------------------------------------------------------------------------------------------------
!subroutine HDF5_mappingCells(mapping)
! 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,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,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,ext_msg='IO_mappingCells: h5dwrite_f instance_id')
!!--------------------------------------------------------------------------------------------------
!!close types, dataspaces
! call h5dclose_f(dset_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_mappingConstitutive: h5dclose_f')
! call h5sclose_f(space_id, hdferr)
! if (hdferr < 0) call IO_error(1,ext_msg='IO_mappingConstitutive: h5sclose_f')
! call HDF5_closeGroup(mapping_ID)
!end subroutine HDF5_mappingCells
end module results