DAMASK_EICMD/src/results.f90

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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
!--------------------------------------------------------------------------------------------------
module results
use prec
use parallelization
use IO
use HDF5_utilities
use HDF5
#ifdef PETSC
use CLI
#include <petsc/finclude/petscsys.h>
use PETScSys
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
use MPI_f08
#endif
#else
use DAMASK_interface
#endif
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
implicit none(type,external)
#else
implicit none
#endif
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
end interface results_writeDataset
interface results_addAttribute
module procedure results_addAttribute_str
module procedure results_addAttribute_int
module procedure results_addAttribute_real
module procedure results_addAttribute_str_array
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_writeDataset_str, &
results_setLink, &
results_addAttribute, &
results_removeLink, &
results_mapping_phase, &
results_mapping_homogenization
contains
subroutine results_init(restart)
logical, intent(in) :: restart
character(len=pPathLen) :: commandLine
integer :: hdferr
character(len=:), allocatable :: date
print'(/,1x,a)', '<<<+- results init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', 'M. Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):8391, 2017'
print'( 1x,a)', 'https://doi.org/10.1007/s40192-017-0084-5'
if (.not. restart) then
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')
call results_addAttribute('DADF5_version_major',0)
call results_addAttribute('DADF5_version_minor',14)
call get_command_argument(0,commandLine)
call results_addAttribute('creator',trim(commandLine)//' '//DAMASKVERSION)
call results_addAttribute('created',now())
call get_command(commandLine)
call results_addAttribute('call',trim(commandLine))
call results_closeGroup(results_addGroup('cell_to'))
call results_addAttribute('description','mappings to place data in space','cell_to')
call results_closeGroup(results_addGroup('setup'))
call results_addAttribute('description','input data used to run the simulation','setup')
else
date = now()
call results_openJobFile
call get_command(commandLine)
call results_addAttribute('call (restart at '//date//')',trim(commandLine))
call H5Gmove_f(resultsFile,'setup','tmp',hdferr)
call results_addAttribute('description','input data used to run the simulation up to restart at '//date,'tmp')
call results_closeGroup(results_addGroup('setup'))
call results_addAttribute('description','input data used to run the simulation','setup')
call H5Gmove_f(resultsFile,'tmp','setup/previous',hdferr)
end if
call results_closeJobFile
end subroutine results_init
!--------------------------------------------------------------------------------------------------
!> @brief opens the results file to append data
!--------------------------------------------------------------------------------------------------
subroutine results_openJobFile(parallel)
logical, intent(in), optional :: parallel
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','a',parallel)
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('increment_'//trim(adjustl(incChar)))))
call results_setLink(trim('increment_'//trim(adjustl(incChar))),'current')
call results_addAttribute('t/s',time,trim('increment_'//trim(adjustl(incChar))))
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 Add 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)
end if
end subroutine results_addAttribute_str
!--------------------------------------------------------------------------------------------------
!> @brief Add 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)
end if
end subroutine results_addAttribute_int
!--------------------------------------------------------------------------------------------------
!> @brief Add 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)
end if
end subroutine results_addAttribute_real
!--------------------------------------------------------------------------------------------------
!> @brief Add a string array attribute an object in the results file.
!--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_str_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel
character(len=*), 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)
end if
end subroutine results_addAttribute_str_array
!--------------------------------------------------------------------------------------------------
!> @brief Add 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)
end if
end subroutine results_addAttribute_int_array
!--------------------------------------------------------------------------------------------------
!> @brief Add 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)
end if
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 Store string dataset.
!> @details Not collective, must be called by one process at at time.
!--------------------------------------------------------------------------------------------------
subroutine results_writeDataset_str(dataset,group,label,description)
character(len=*), intent(in) :: label,group,description,dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write_str(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeDataset_str
!--------------------------------------------------------------------------------------------------
!> @brief Store real scalar dataset with associated metadata.
!--------------------------------------------------------------------------------------------------
subroutine results_writeScalarDataset_real(dataset,group,label,description,SIunit)
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
real(pReal), intent(in), dimension(:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeScalarDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief Store real vector dataset with associated metadata.
!--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_real(dataset,group,label,description,SIunit,systems)
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
character(len=*), intent(in), dimension(:), optional :: systems
real(pReal), intent(in), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit)
if (present(systems) .and. HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief Store real tensor dataset with associated metadata.
!> @details Data is transposed to compenstate transposed storage order.
!--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_real(dataset,group,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.
end if
groupHandle = results_openGroup(group)
if(transposed_) then
if(size(dataset,1) /= size(dataset,2)) error stop 'transpose non-symmetric tensor'
allocate(dataset_transposed,mold=dataset)
do i=1,size(dataset_transposed,3)
dataset_transposed(:,:,i) = transpose(dataset(:,:,i))
end do
call HDF5_write(dataset_transposed,groupHandle,label)
else
call HDF5_write(dataset,groupHandle,label)
end if
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_real
!--------------------------------------------------------------------------------------------------
!> @brief Store integer vector dataset with associated metadata.
!--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_int(dataset,group,label,description,SIunit,systems)
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
character(len=*), intent(in), dimension(:), optional :: systems
integer, intent(in), dimension(:,:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit)
if (present(systems) .and. HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_int
!--------------------------------------------------------------------------------------------------
!> @brief Store integer tensor dataset with associated metadata.
!--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_int(dataset,group,label,description,SIunit)
character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit
integer, intent(in), dimension(:,:,:) :: dataset
integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group)
call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_int
!--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results
!--------------------------------------------------------------------------------------------------
subroutine results_mapping_phase(ID,entry,label)
integer, dimension(:,:), intent(in) :: ID !< phase ID at (co,ce)
integer, dimension(:,:), intent(in) :: entry !< phase entry at (co,ce)
character(len=*), dimension(:), intent(in) :: label !< label of each phase section
integer(pI64), dimension(size(entry,1),size(entry,2)) :: &
entryGlobal
integer(pI64), dimension(size(label),0:worldsize-1) :: entryOffset !< offset in entry 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) :: &
pI64_t, & !< HDF5 type for pI64 (8 bit integer)
loc_id, & !< identifier of group in file
dtype_id, & !< identifier of compound data type
label_id, & !< identifier of label (string) in compound data type
entry_id, & !< identifier of entry (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 :: hdferr, ce, co
integer(MPI_INTEGER_KIND) :: err_MPI
writeSize = 0
writeSize(worldrank) = size(entry(1,:)) ! total number of entries of this process
call H5Pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
#ifndef PETSC
entryGlobal = int(entry -1,pI64) ! 0-based
#else
!--------------------------------------------------------------------------------------------------
! MPI settings and communication
call H5Pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call MPI_Allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI) ! get output at each process
if(err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
entryOffset = 0_pI64
do co = 1, size(ID,1)
do ce = 1, size(ID,2)
entryOffset(ID(co,ce),worldrank) = entryOffset(ID(co,ce),worldrank) +1_pI64
end do
end do
call MPI_Allreduce(MPI_IN_PLACE,entryOffset,size(entryOffset),MPI_INTEGER8,MPI_SUM,MPI_COMM_WORLD,err_MPI)! get offset at each process
if(err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
entryOffset(:,worldrank) = sum(entryOffset(:,0:worldrank-1),2)
do co = 1, size(ID,1)
do ce = 1, size(ID,2)
entryGlobal(co,ce) = int(entry(co,ce),pI64) -1_pI64 + entryOffset(ID(co,ce),worldrank)
end do
end do
#endif
myShape = int([size(ID,1),writeSize(worldrank)], HSIZE_T)
myOffset = int([0,sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([size(ID,1),sum(writeSize)], HSIZE_T)
!---------------------------------------------------------------------------------------------------
! compound type: label(ID) + entry
call H5Tcopy_f(H5T_NATIVE_CHARACTER, dt_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tset_size_f(dt_id, int(len(label(1)),SIZE_T), hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tget_size_f(dt_id, type_size_string, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
pI64_t = h5kind_to_type(kind(entryGlobal),H5_INTEGER_KIND)
call H5Tget_size_f(pI64_t, type_size_int, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tinsert_f(dtype_id, 'label', 0_SIZE_T, dt_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tinsert_f(dtype_id, 'entry', type_size_string, pI64_t, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type
call H5Tcreate_f(H5T_COMPOUND_F, type_size_string, label_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tinsert_f(label_id, 'label', 0_SIZE_T, dt_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tcreate_f(H5T_COMPOUND_F, type_size_int, entry_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tinsert_f(entry_id, 'entry', 0_SIZE_T, pI64_t, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tclose_f(dt_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape = hyperslab) and in file (global shape)
call H5Screate_simple_f(2,myShape,memspace_id,hdferr,myShape)
if(hdferr < 0) error stop 'HDF5 error'
call H5Screate_simple_f(2,totalShape,filespace_id,hdferr,totalShape)
if(hdferr < 0) error stop 'HDF5 error'
call H5Sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! write the components of the compound type individually
call H5Pset_preserve_f(plist_id, .true., hdferr)
if(hdferr < 0) error stop 'HDF5 error'
loc_id = results_openGroup('/cell_to')
call H5Dcreate_f(loc_id, 'phase', dtype_id, filespace_id, dset_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Dwrite_f(dset_id, label_id, reshape(label(pack(ID,.true.)),myShape), &
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
if(hdferr < 0) error stop 'HDF5 error'
call H5Dwrite_f(dset_id, entry_id, reshape(pack(entryGlobal,.true.),myShape), &
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! close all
call HDF5_closeGroup(loc_id)
call H5Pclose_f(plist_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Sclose_f(filespace_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Sclose_f(memspace_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Dclose_f(dset_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tclose_f(dtype_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tclose_f(label_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tclose_f(entry_id, hdferr)
call executionStamp('cell_to/phase','cell ID and constituent ID to phase results')
end subroutine results_mapping_phase
!--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results
!--------------------------------------------------------------------------------------------------
subroutine results_mapping_homogenization(ID,entry,label)
integer, dimension(:), intent(in) :: ID !< homogenization ID at (ce)
integer, dimension(:), intent(in) :: entry !< homogenization entry at (ce)
character(len=*), dimension(:), intent(in) :: label !< label of each homogenization section
integer(pI64), dimension(size(entry,1)) :: &
entryGlobal
integer(pI64), dimension(size(label),0:worldsize-1) :: entryOffset !< offset in entry 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) :: &
pI64_t, & !< HDF5 type for pI64 (8 bit integer)
loc_id, & !< identifier of group in file
dtype_id, & !< identifier of compound data type
label_id, & !< identifier of label (string) in compound data type
entry_id, & !< identifier of entry (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 :: hdferr, ce
integer(MPI_INTEGER_KIND) :: err_MPI
writeSize = 0
writeSize(worldrank) = size(entry) ! total number of entries of this process
call H5Pcreate_f(H5P_DATASET_XFER_F, plist_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
#ifndef PETSC
entryGlobal = int(entry -1,pI64) ! 0-based
#else
!--------------------------------------------------------------------------------------------------
! MPI settings and communication
call H5Pset_dxpl_mpio_f(plist_id, H5FD_MPIO_COLLECTIVE_F, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call MPI_Allreduce(MPI_IN_PLACE,writeSize,worldsize,MPI_INTEGER,MPI_SUM,MPI_COMM_WORLD,err_MPI) ! get output at each process
if(err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
entryOffset = 0_pI64
do ce = 1, size(ID,1)
entryOffset(ID(ce),worldrank) = entryOffset(ID(ce),worldrank) +1_pI64
end do
call MPI_Allreduce(MPI_IN_PLACE,entryOffset,size(entryOffset),MPI_INTEGER8,MPI_SUM,MPI_COMM_WORLD,err_MPI)! get offset at each process
if(err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
entryOffset(:,worldrank) = sum(entryOffset(:,0:worldrank-1),2)
do ce = 1, size(ID,1)
entryGlobal(ce) = int(entry(ce),pI64) -1_pI64 + entryOffset(ID(ce),worldrank)
end do
#endif
myShape = int([writeSize(worldrank)], HSIZE_T)
myOffset = int([sum(writeSize(0:worldrank-1))], HSIZE_T)
totalShape = int([sum(writeSize)], HSIZE_T)
!---------------------------------------------------------------------------------------------------
! compound type: label(ID) + entry
call H5Tcopy_f(H5T_NATIVE_CHARACTER, dt_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tset_size_f(dt_id, int(len(label(1)),SIZE_T), hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tget_size_f(dt_id, type_size_string, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
pI64_t = h5kind_to_type(kind(entryGlobal),H5_INTEGER_KIND)
call H5Tget_size_f(pI64_t, type_size_int, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tcreate_f(H5T_COMPOUND_F, type_size_string + type_size_int, dtype_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tinsert_f(dtype_id, 'label', 0_SIZE_T, dt_id,hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tinsert_f(dtype_id, 'entry', type_size_string, pI64_t, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! create memory types for each component of the compound type
call H5Tcreate_f(H5T_COMPOUND_F, type_size_string, label_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tinsert_f(label_id, 'label', 0_SIZE_T, dt_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tcreate_f(H5T_COMPOUND_F, type_size_int, entry_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tinsert_f(entry_id, 'entry', 0_SIZE_T, pI64_t, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tclose_f(dt_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! create dataspace in memory (local shape = hyperslab) and in file (global shape)
call H5Screate_simple_f(1,myShape,memspace_id,hdferr,myShape)
if(hdferr < 0) error stop 'HDF5 error'
call H5Screate_simple_f(1,totalShape,filespace_id,hdferr,totalShape)
if(hdferr < 0) error stop 'HDF5 error'
call H5Sselect_hyperslab_f(filespace_id, H5S_SELECT_SET_F, myOffset, myShape, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! write the components of the compound type individually
call H5Pset_preserve_f(plist_id, .true., hdferr)
if(hdferr < 0) error stop 'HDF5 error'
loc_id = results_openGroup('/cell_to')
call H5Dcreate_f(loc_id, 'homogenization', dtype_id, filespace_id, dset_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Dwrite_f(dset_id, label_id, reshape(label(pack(ID,.true.)),myShape), &
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
if(hdferr < 0) error stop 'HDF5 error'
call H5Dwrite_f(dset_id, entry_id, reshape(pack(entryGlobal,.true.),myShape), &
myShape, hdferr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
if(hdferr < 0) error stop 'HDF5 error'
!--------------------------------------------------------------------------------------------------
! close all
call HDF5_closeGroup(loc_id)
call H5Pclose_f(plist_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Sclose_f(filespace_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Sclose_f(memspace_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Dclose_f(dset_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tclose_f(dtype_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tclose_f(label_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call H5Tclose_f(entry_id, hdferr)
if(hdferr < 0) error stop 'HDF5 error'
call executionStamp('cell_to/homogenization','cell ID to homogenization results')
end subroutine results_mapping_homogenization
!--------------------------------------------------------------------------------------------------
!> @brief Add default information to a dataset.
!--------------------------------------------------------------------------------------------------
subroutine executionStamp(path,description,SIunit)
character(len=*), intent(in) :: path,description
character(len=*), intent(in), optional :: SIunit
if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'creator','DAMASK '//DAMASKVERSION,path)
if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'created',now(),path)
if (HDF5_objectExists(resultsFile,path)) &
call HDF5_addAttribute(resultsFile,'description',description,path)
if (HDF5_objectExists(resultsFile,path) .and. present(SIunit)) &
call HDF5_addAttribute(resultsFile,'unit',SIunit,path)
end subroutine executionStamp
!--------------------------------------------------------------------------------------------------
!> @brief Return current date and time (including time zone information).
!--------------------------------------------------------------------------------------------------
character(len=24) function now()
character(len=5) :: zone
integer, dimension(8) :: values
call date_and_time(values=values,zone=zone)
write(now,'(i4.4,5(a,i2.2),a)') &
values(1),'-',values(2),'-',values(3),' ',values(5),':',values(6),':',values(7),zone
end function now
end module results