added some HDF5 functionality (needs to be activated with preprocessor makro)
This commit is contained in:
Martin Diehl
parent
ff1b1c1a50
commit
3aea8b39e9
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@ -544,8 +544,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature, dt, el
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if (.not. parallelExecution) then
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FEsolving_execElem(1) = elCP
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FEsolving_execElem(2) = elCP
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if (.not. microstructure_elemhomo(mesh_element(4,elCP)) .or. & ! calculate unless homogeneous
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(microstructure_elemhomo(mesh_element(4,elCP)) .and. ip == 1_pInt)) then ! and then only first ip
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if (.not. microstructure_elemhomo(mesh_element(4,elCP)) .or. & ! calculate unless homogeneous
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(microstructure_elemhomo(mesh_element(4,elCP)) .and. ip == 1_pInt)) then ! and then only first ip
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FEsolving_execIP(1,elCP) = ip
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FEsolving_execIP(2,elCP) = ip
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if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0_pInt) then
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@ -553,8 +553,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature, dt, el
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write(6,'(a,i8,1x,i2)') '<< CPFEM >> calculation for elFE ip ',elCP,ip
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!$OMP END CRITICAL (write2out)
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endif
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call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent
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call materialpoint_postResults() ! post results
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call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent
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call materialpoint_postResults()
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endif
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!* parallel computation and calulation not yet done
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@ -566,8 +566,8 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature, dt, el
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' to ',FEsolving_execElem(2)
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!$OMP END CRITICAL (write2out)
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endif
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call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent (parallel execution inside)
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call materialpoint_postResults() ! post results
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call materialpoint_stressAndItsTangent(updateJaco, dt) ! calculate stress and its tangent (parallel execution inside)
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call materialpoint_postResults()
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CPFEM_calc_done = .true.
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endif
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@ -579,7 +579,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature, dt, el
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CPFEM_cs(1:6,ip,elCP) = rnd * CPFEM_odd_stress
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CPFEM_dcsde(1:6,1:6,ip,elCP) = CPFEM_odd_jacobian * math_identity2nd(6)
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else
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if (microstructure_elemhomo(mesh_element(4,elCP)) .and. ip > 1_pInt) then ! me homogenous? --> copy from first ip
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if (microstructure_elemhomo(mesh_element(4,elCP)) .and. ip > 1_pInt) then ! me homogenous? --> copy from first ip
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materialpoint_P(1:3,1:3,ip,elCP) = materialpoint_P(1:3,1:3,1,elCP)
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materialpoint_F(1:3,1:3,ip,elCP) = materialpoint_F(1:3,1:3,1,elCP)
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materialpoint_dPdF(1:3,1:3,1:3,1:3,ip,elCP) = materialpoint_dPdF(1:3,1:3,1:3,1:3,1,elCP)
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277
code/IO.f90
277
code/IO.f90
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@ -25,7 +25,11 @@
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief input/output functions, partly depending on chosen solver
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!--------------------------------------------------------------------------------------------------
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module IO
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module IO
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#ifdef HDF
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use hdf5, only: &
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HID_T
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#endif
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use prec, only: &
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pInt, &
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pReal
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@ -34,6 +38,10 @@ module IO
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private
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character(len=5), parameter, public :: &
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IO_EOF = '#EOF#' !< end of file string
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#ifdef HDF
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integer(HID_T), public, protected :: resultsFile, tempResults
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#endif
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public :: &
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IO_init, &
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IO_read, &
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@ -90,7 +98,10 @@ module IO
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private :: &
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abaqus_assembleInputFile
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#endif
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#ifdef HDF
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public:: HDF5_mappingConstitutive, &
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HDF5_closeJobFile
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#endif
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contains
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@ -105,6 +116,10 @@ subroutine IO_init
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write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
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#include "compilation_info.f90"
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#ifdef HDF
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call HDF5_createJobFile
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#endif
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end subroutine IO_init
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@ -1891,4 +1906,262 @@ recursive function abaqus_assembleInputFile(unit1,unit2) result(createSuccess)
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end function abaqus_assembleInputFile
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#endif
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#ifdef HDF
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!--------------------------------------------------------------------------------------------------
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!> @brief creates and initializes HDF5 output file
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_createJobFile
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use hdf5
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use DAMASK_interface, only: &
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getSolverWorkingDirectoryName, &
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getSolverJobName
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implicit none
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integer :: hdferr
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INTEGER(SIZE_T) :: typeSize
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character(len=1024) :: path
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!--------------------------------------------------------------------------------------------------
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! initialize HDF5 library and check if integer and float type size match
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call h5open_f(hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_createJobFile')
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call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_createJobFile: h5tget_size_f (int)')
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if (int(pInt,SIZE_T)/=typeSize) call IO_error(0_pInt,ext_msg='pInt does not match H5T_NATIVE_INTEGER')
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call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_createJobFile: h5tget_size_f (double)')
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if (int(pReal,SIZE_T)/=typeSize) call IO_error(0_pInt,ext_msg='pReal does not match H5T_NATIVE_DOUBLE')
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!--------------------------------------------------------------------------------------------------
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! open file
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path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//'DAMASKout'
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call h5fcreate_f(path,H5F_ACC_TRUNC_F,resultsFile,hdferr)
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if (hdferr < 0) call IO_error(100_pInt,ext_msg=path)
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call HDF5_addStringAttribute(resultsFile,'createdBy','$Id$')
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!--------------------------------------------------------------------------------------------------
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! create mapping group in file
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call HDF5_closeGroup(HDF5_addGroup("mapping"))
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end subroutine HDF5_createJobFile
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!--------------------------------------------------------------------------------------------------
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!> @brief creates and initializes HDF5 output file
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_closeJobFile()
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use hdf5
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implicit none
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integer :: hdferr
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call h5fclose_f(resultsFile,hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_closeJobFile')
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end subroutine HDF5_closeJobFile
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!--------------------------------------------------------------------------------------------------
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!> @brief adds a new group to the results file
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!--------------------------------------------------------------------------------------------------
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integer(HID_T) function HDF5_addGroup(path)
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use hdf5
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implicit none
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character(len=*), intent(in) :: path
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integer :: hdferr
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call h5gcreate_f(resultsFile, trim(path), HDF5_addGroup, hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_addGroup failed ('//trim(path)//' )')
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end function HDF5_addGroup
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!--------------------------------------------------------------------------------------------------
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!> @brief adds a new group to the results file
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!--------------------------------------------------------------------------------------------------
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integer(HID_T) function HDF5_openGroup(path)
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use hdf5
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implicit none
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character(len=*), intent(in) :: path
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integer :: hdferr
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call h5gopen_f(resultsFile, trim(path), HDF5_openGroup, hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_openGroup failed ('//trim(path)//' )')
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end function HDF5_openGroup
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!--------------------------------------------------------------------------------------------------
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!> @brief closes a group
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_closeGroup(ID)
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use hdf5
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implicit none
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integer(HID_T), intent(in) :: ID
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integer :: hdferr
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call h5gclose_f(ID, hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_closeGroup')
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end subroutine HDF5_closeGroup
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!--------------------------------------------------------------------------------------------------
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!> @brief adds a new group to the results file
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_addStringAttribute(entity,attrLabel,attrValue)
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use hdf5
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implicit none
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integer(HID_T), intent(in) :: entity
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character(len=*), intent(in) :: attrLabel, attrValue
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integer :: hdferr
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integer(HID_T) :: attr_id, space_id, type_id
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call h5screate_f(H5S_SCALAR_F,space_id,hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute')
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call h5tcopy_f(H5T_NATIVE_CHARACTER, type_id, hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute')
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call h5tset_size_f(type_id, int(len(trim(attrValue)),HSIZE_T), hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute')
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call h5acreate_f(entity, trim(attrLabel),type_id,space_id,attr_id,hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute')
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call h5awrite_f(attr_id, type_id, trim(attrValue), int([1],HSIZE_T), hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute')
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call h5aclose_f(attr_id,hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute')
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call h5sclose_f(space_id,hdferr)
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if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute')
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end subroutine HDF5_addStringAttribute
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!--------------------------------------------------------------------------------------------------
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!> @brief adds the unique mapping from spatial position and constituent ID to results
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_mappingConstitutive(mapping)
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use hdf5
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implicit none
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integer(pInt), intent(in), dimension(:,:,:) :: mapping
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integer :: hdf5err, NmatPoints,Nconstituents
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integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id,instance_id,position_id
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Nconstituents=size(mapping,1)
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NmatPoints=size(mapping,2)
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mapping_ID = HDF5_openGroup("mapping")
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!--------------------------------------------------------------------------------------------------
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! create dataspace
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call h5screate_simple_f(2, int([Nconstituents,NmatPoints],HSIZE_T), space_id, hdf5err, &
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int([Nconstituents,NmatPoints],HSIZE_T))
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute')
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!--------------------------------------------------------------------------------------------------
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! compound type
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call h5tcreate_f(H5T_COMPOUND_F, 6_SIZE_T, dtype_id, hdf5err)
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute: h5tcreate_f dtype_id')
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call h5tinsert_f(dtype_id, "Constitutive Instance", 0_SIZE_T, H5T_STD_U16LE, hdf5err)
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute: h5tinsert_f 0')
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call h5tinsert_f(dtype_id, "Position in Instance Results", 2_SIZE_T, H5T_STD_U32LE, hdf5err)
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute: h5tinsert_f 2')
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!--------------------------------------------------------------------------------------------------
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! create Dataset
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call h5dcreate_f(mapping_id, "Constitutive", dtype_id, space_id, dset_id, hdf5err)
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute')
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!--------------------------------------------------------------------------------------------------
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! Create memory types (one compound datatype for each member)
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call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), instance_id, hdf5err)
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute: h5tcreate_f instance_id')
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call h5tinsert_f(instance_id, "Constitutive Instance", 0_SIZE_T, H5T_NATIVE_INTEGER, hdf5err)
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute: h5tinsert_f instance_id')
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call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdf5err)
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute: h5tcreate_f position_id')
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call h5tinsert_f(position_id, "Position in Instance Results", 0_SIZE_T, H5T_NATIVE_INTEGER, hdf5err)
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if (hdf5err < 0) call IO_error(1_pInt,ext_msg='IO_addAttribute: h5tinsert_f position_id')
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print*, mapping
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print*, 'ddddddddd'
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print*, mapping(1:Nconstituents,1:nmatpoints,1)
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print*, mapping(1:Nconstituents,1:nmatpoints,2)
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!--------------------------------------------------------------------------------------------------
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! write data by fields in the datatype. Fields order is not important.
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call h5dwrite_f(dset_id, position_id, mapping(1:Nconstituents,1:NmatPoints,1), &
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int([Nconstituents, NmatPoints],HSIZE_T), hdf5err)
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call h5dwrite_f(dset_id, instance_id, mapping(1:Nconstituents,1:NmatPoints,2), &
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int([Nconstituents, NmatPoints],HSIZE_T), hdf5err)
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!--------------------------------------------------------------------------------------------------
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!close types, dataspaces
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call h5tclose_f(dtype_id, hdf5err)
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call h5tclose_f(position_id, hdf5err)
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call h5tclose_f(instance_id, hdf5err)
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call h5dclose_f(dset_id, hdf5err)
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call h5sclose_f(space_id, hdf5err)
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call HDF5_closeGroup(mapping_ID)
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end subroutine HDF5_mappingConstitutive
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subroutine HDF5_mappingHomogenization(Npoints)
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use hdf5
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implicit none
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integer(pInt), intent(in) :: Npoints
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integer(pInt) :: i
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integer :: hdf5err
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integer(HID_T) :: mapping_ID,dspace_id,dtype_id,dset_ID
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INTEGER(HID_T) :: instance_id,position_id,elem_id,ip_id
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mapping_ID=HDF5_openGroup("mapping")
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call h5screate_simple_f(1, [int(Npoints,HSIZE_T)], dspace_id, hdf5err) ! dataspace
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! compound type
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CALL h5tcreate_f(H5T_COMPOUND_F, 11_SIZE_T, dtype_id, hdf5err)
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CALL h5tinsert_f(dtype_id, "Homogenization Instance", 0_SIZE_T, H5T_STD_U16LE, hdf5err)
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CALL h5tinsert_f(dtype_id, "Position in Instance", 2_SIZE_T, H5T_STD_U32LE, hdf5err)
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CALL h5tinsert_f(dtype_id, "Element ID", 6_SIZE_T, H5T_STD_U32LE, hdf5err)
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CALL h5tinsert_f(dtype_id, "Integration Point Number",10_SIZE_T, H5T_STD_U8LE, hdf5err)
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! create Dataset
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CALL h5dcreate_f(mapping_id, "Homogenization", dtype_id, dspace_id, dset_id, hdf5err) ! dataset
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! Create memory types. We have to create a compound datatype
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! for each member we want to write.
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!
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CALL h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), instance_id, hdf5err)
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CALL h5tinsert_f(instance_id, "Homogenization Instance", 0_SIZE_T, H5T_NATIVE_INTEGER, hdf5err)
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CALL h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdf5err)
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CALL h5tinsert_f(position_id, "Position in Instance", 0_SIZE_T, H5T_NATIVE_INTEGER, hdf5err)
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CALL h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), elem_id, hdf5err)
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CALL h5tinsert_f(elem_id, "Element Number", 0_SIZE_T, H5T_NATIVE_INTEGER, hdf5err)
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CALL h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), ip_id, hdf5err)
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CALL h5tinsert_f(ip_id, "Integration Point Number",0_SIZE_T, H5T_NATIVE_INTEGER, hdf5err)
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! Write data by fields in the datatype. Fields order is not important.
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!
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CALL h5dwrite_f(dset_id, ip_id, spread(1_pInt,1,Npoints), [int(Npoints,HSIZE_T)], hdf5err)
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CALL h5dwrite_f(dset_id, position_id, [(i,i=0_pInt,Npoints-1_pInt)], [int(Npoints,HSIZE_T)], hdf5err)
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CALL h5dwrite_f(dset_id, instance_id, spread(1_pInt,1,Npoints), [int(Npoints,HSIZE_T)], hdf5err)
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CALL h5dwrite_f(dset_id, elem_id, [(i,i=1_pInt,Npoints)], [int(Npoints,HSIZE_T)], hdf5err)
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!close
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call h5tclose_f(ip_id, hdf5err)
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call h5tclose_f(elem_id, hdf5err)
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call h5tclose_f(position_id, hdf5err)
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call h5tclose_f(instance_id, hdf5err)
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call h5tclose_f(dtype_id, hdf5err)
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call h5dclose_f(dset_id, hdf5err)
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call h5sclose_f(dspace_id, hdf5err)
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call HDF5_closeGroup(mapping_ID)
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end subroutine HDF5_mappingHomogenization
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#endif
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end module IO
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@ -76,6 +76,14 @@ contains
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!> @brief allocates arrays pointing to array of the various constitutive modules
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!--------------------------------------------------------------------------------------------------
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subroutine constitutive_init
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#ifdef HDF
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use hdf5, only: &
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HID_T
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use IO, only : &
|
||||
HDF5_mappingConstitutive, &
|
||||
HDF5_closeJobFile
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||||
#endif
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||||
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||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use debug, only: &
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debug_level, &
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|
@ -146,7 +154,12 @@ subroutine constitutive_init
|
|||
character(len=64), dimension(:,:), pointer :: thisOutput
|
||||
character(len=32) :: outputName !< name of output, intermediate fix until HDF5 output is ready
|
||||
logical :: knownPlasticity, nonlocalConstitutionPresent
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||||
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||||
#ifdef HDF
|
||||
integer(pInt), dimension(:,:,:), allocatable :: mapping
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||||
integer(pInt), dimension(:), allocatable :: InstancePosition
|
||||
allocate(mapping(homogenization_maxngrains,mesh_ncpelems,2),source=0_pInt)
|
||||
allocate(InstancePosition(material_nphase),source=0_pInt)
|
||||
#endif
|
||||
nonlocalConstitutionPresent = .false.
|
||||
|
||||
|
||||
|
|
@ -248,6 +261,10 @@ subroutine constitutive_init
|
|||
case default ! so far no output for elasticity
|
||||
end select
|
||||
instance = phase_plasticityInstance(material_phase(g,i,e))
|
||||
#ifdef HDF
|
||||
InstancePosition(instance) = InstancePosition(instance)+1_pInt
|
||||
mapping(g,e,1:2) = [instancePosition(instance),instance]
|
||||
#endif
|
||||
select case(phase_plasticity(material_phase(g,i,e)))
|
||||
case (PLASTICITY_NONE_ID)
|
||||
allocate(constitutive_state0(g,i,e)%p(constitutive_none_sizeState(instance)))
|
||||
|
|
@ -425,7 +442,10 @@ subroutine constitutive_init
|
|||
constitutive_state(g,i,e)%p = constitutive_state0(g,i,e)%p ! need to be defined for first call of constitutive_microstructure in crystallite_init
|
||||
endforall
|
||||
enddo
|
||||
|
||||
#ifdef HDF
|
||||
call HDF5_mappingConstitutive(mapping)
|
||||
call HDF5_closeJobFile()
|
||||
#endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write out state size file
|
||||
call IO_write_jobIntFile(777,'sizeStateConst', size(constitutive_sizeState))
|
||||
|
|
@ -875,7 +895,6 @@ function constitutive_postResults(Tstar_v, Fe, temperature, ipc, ip, el)
|
|||
select case (phase_plasticity(material_phase(ipc,ip,el)))
|
||||
|
||||
case (PLASTICITY_NONE_ID)
|
||||
constitutive_postResults = 0.0_pReal
|
||||
|
||||
case (PLASTICITY_TITANMOD_ID)
|
||||
constitutive_postResults = constitutive_titanmod_postResults(constitutive_state,ipc,ip,el)
|
||||
|
|
|
|||
|
|
@ -615,7 +615,7 @@ subroutine materialpoint_postResults
|
|||
|
||||
grainLooping :do g = 1,myNgrains
|
||||
theSize = (1 + crystallite_sizePostResults(myCrystallite)) + (1 + constitutive_sizePostResults(g,i,e))
|
||||
materialpoint_results(thePos+1:thePos+theSize,i,e) = crystallite_postResults(g,i,e) ! tell crystallite results
|
||||
materialpoint_results(thePos+1:thePos+theSize,i,e) = crystallite_postResults(g,i,e) ! tell crystallite results
|
||||
thePos = thePos + theSize
|
||||
enddo grainLooping
|
||||
enddo IpLooping
|
||||
|
|
|
|||
|
|
@ -102,7 +102,7 @@ module material
|
|||
homogenization_typeInstance, & !< instance of particular type of each homogenization
|
||||
microstructure_crystallite !< crystallite setting ID of each microstructure
|
||||
|
||||
integer(pInt), dimension(:,:,:), allocatable, public:: &
|
||||
integer(pInt), dimension(:,:,:), allocatable, public :: &
|
||||
material_phase !< phase (index) of each grain,IP,element
|
||||
integer(pInt), dimension(:,:,:), allocatable, public, protected :: &
|
||||
material_texture !< texture (index) of each grain,IP,element
|
||||
|
|
|
|||
Loading…
Reference in New Issue