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DAMASK_EICMD
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DAMASK_EICMD/code/IO.f90

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!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief input/output functions, partly depending on chosen solver
!--------------------------------------------------------------------------------------------------
module IO
#ifdef HDF
use hdf5, only: &
HID_T
#endif
use prec, only: &
pInt, &
pReal
implicit none
private
character(len=5), parameter, public :: &
IO_EOF = '#EOF#' !< end of file string
#ifdef HDF
integer(HID_T), public, protected :: tempCoordinates, tempResults
integer(HID_T), private :: resultsFile, tempFile
integer(pInt), private :: currentInc
#endif
public :: &
#ifdef HDF
HDF5_mappingConstitutive, &
HDF5_mappingHomogenization, &
HDF5_mappingCells, &
HDF5_addGroup ,&
HDF5_forwardResults, &
HDF5_addScalarDataset, &
IO_formatIntToString ,&
#endif
IO_init, &
IO_read, &
IO_checkAndRewind, &
IO_open_file_stat, &
IO_open_jobFile_stat, &
IO_open_file, &
IO_open_jobFile, &
IO_write_jobFile, &
IO_write_jobRealFile, &
IO_write_jobIntFile, &
IO_read_realFile, &
IO_read_intFile, &
IO_hybridIA, &
IO_isBlank, &
IO_getTag, &
IO_countSections, &
IO_countTagInPart, &
IO_spotTagInPart, &
IO_globalTagInPart, &
IO_stringPos, &
IO_stringValue, &
IO_fixedStringValue ,&
IO_floatValue, &
IO_fixedNoEFloatValue, &
IO_intValue, &
IO_fixedIntValue, &
IO_lc, &
IO_skipChunks, &
IO_extractValue, &
IO_countDataLines, &
IO_countContinuousIntValues, &
IO_continuousIntValues, &
IO_error, &
IO_warning, &
IO_intOut, &
IO_timeStamp
#if defined(Marc4DAMASK) || defined(Abaqus)
public :: &
IO_open_inputFile, &
IO_open_logFile
#endif
#ifdef Abaqus
public :: &
IO_abaqus_hasNoPart
#endif
private :: &
IO_fixedFloatValue, &
IO_verifyFloatValue, &
IO_verifyIntValue
#ifdef Abaqus
private :: &
abaqus_assembleInputFile
#endif
contains
!--------------------------------------------------------------------------------------------------
!> @brief only outputs revision number
!--------------------------------------------------------------------------------------------------
subroutine IO_init
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
implicit none
integer(pInt) :: worldrank = 0_pInt
#ifdef PETSc
#include <petsc/finclude/petscsys.h>
PetscErrorCode :: ierr
#endif
external :: &
MPI_Comm_rank, &
MPI_Abort
#ifdef PETSc
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
#endif
mainProcess: if (worldrank == 0) then
write(6,'(/,a)') ' <<<+- IO init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
endif mainProcess
#ifdef HDF
call HDF5_createJobFile
#endif
end subroutine IO_init
!--------------------------------------------------------------------------------------------------
!> @brief recursively reads a line from a text file.
!! Recursion is triggered by "{path/to/inputfile}" in a line
!--------------------------------------------------------------------------------------------------
recursive function IO_read(fileUnit,reset) result(line)
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
logical, intent(in), optional :: reset
integer(pInt), dimension(10) :: unitOn = 0_pInt ! save the stack of recursive file units
integer(pInt) :: stack = 1_pInt ! current stack position
character(len=8192), dimension(10) :: pathOn = ''
character(len=512) :: path,input
integer(pInt) :: myStat
character(len=65536) :: line
character(len=*), parameter :: SEP = achar(47)//achar(92) ! forward and backward slash ("/", "\")
!--------------------------------------------------------------------------------------------------
! reset case
if(present(reset)) then; if (reset) then ! do not short circuit here
do while (stack > 1_pInt) ! can go back to former file
close(unitOn(stack))
stack = stack-1_pInt
enddo
return
endif; endif
!--------------------------------------------------------------------------------------------------
! read from file
unitOn(1) = fileUnit
read(unitOn(stack),'(a65536)',END=100) line
input = IO_getTag(line,'{','}')
!--------------------------------------------------------------------------------------------------
! normal case
if (input == '') return ! regular line
!--------------------------------------------------------------------------------------------------
! recursion case
if (stack >= 10_pInt) call IO_error(104_pInt,ext_msg=input) ! recursion limit reached
inquire(UNIT=unitOn(stack),NAME=path) ! path of current file
stack = stack+1_pInt
if(scan(input,SEP) == 1) then ! absolut path given (UNIX only)
pathOn(stack) = input
else
pathOn(stack) = path(1:scan(path,SEP,.true.))//input ! glue include to current file's dir
endif
open(newunit=unitOn(stack),iostat=myStat,file=pathOn(stack)) ! open included file
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=pathOn(stack))
line = IO_read(fileUnit)
return
!--------------------------------------------------------------------------------------------------
! end of file case
100 if (stack > 1_pInt) then ! can go back to former file
close(unitOn(stack))
stack = stack-1_pInt
line = IO_read(fileUnit)
else ! top-most file reached
line = IO_EOF
endif
end function IO_read
!--------------------------------------------------------------------------------------------------
!> @brief checks if unit is opened for reading, if true rewinds. Otherwise stops with
!! error message
!--------------------------------------------------------------------------------------------------
subroutine IO_checkAndRewind(fileUnit)
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
logical :: fileOpened
character(len=15) :: fileRead
inquire(unit=fileUnit, opened=fileOpened, read=fileRead)
if (.not. fileOpened .or. trim(fileRead)/='YES') call IO_error(102_pInt)
rewind(fileUnit)
end subroutine IO_checkAndRewind
!--------------------------------------------------------------------------------------------------
!> @brief opens existing file for reading to given unit. Path to file is relative to working
!! directory
!> @details like IO_open_file_stat, but error is handled via call to IO_error and not via return
!! value
!--------------------------------------------------------------------------------------------------
subroutine IO_open_file(fileUnit,relPath)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: relPath !< relative path from working directory
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//relPath
open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
end subroutine IO_open_file
!--------------------------------------------------------------------------------------------------
!> @brief opens existing file for reading to given unit. Path to file is relative to working
!! directory
!> @details Like IO_open_file, but error is handled via return value and not via call to IO_error
!--------------------------------------------------------------------------------------------------
logical function IO_open_file_stat(fileUnit,relPath)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: relPath !< relative path from working directory
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//relPath
open(fileUnit,status='old',iostat=myStat,file=path)
IO_open_file_stat = (myStat == 0_pInt)
end function IO_open_file_stat
!--------------------------------------------------------------------------------------------------
!> @brief opens existing file for reading to given unit. File is named after solver job name
!! plus given extension and located in current working directory
!> @details like IO_open_jobFile_stat, but error is handled via call to IO_error and not via return
!! value
!--------------------------------------------------------------------------------------------------
subroutine IO_open_jobFile(fileUnit,ext)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: ext !< extension of file
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext
open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
end subroutine IO_open_jobFile
!--------------------------------------------------------------------------------------------------
!> @brief opens existing file for reading to given unit. File is named after solver job name
!! plus given extension and located in current working directory
!> @details Like IO_open_jobFile, but error is handled via return value and not via call to
!! IO_error
!--------------------------------------------------------------------------------------------------
logical function IO_open_jobFile_stat(fileUnit,ext)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: ext !< extension of file
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext
open(fileUnit,status='old',iostat=myStat,file=path)
IO_open_jobFile_stat = (myStat == 0_pInt)
end function IO_open_JobFile_stat
#if defined(Marc4DAMASK) || defined(Abaqus)
!--------------------------------------------------------------------------------------------------
!> @brief opens FEM input file for reading located in current working directory to given unit
!--------------------------------------------------------------------------------------------------
subroutine IO_open_inputFile(fileUnit,modelName)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName,&
getSolverJobName, &
inputFileExtension
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: modelName !< model name, in case of restart not solver job name
integer(pInt) :: myStat
character(len=1024) :: path
#ifdef Abaqus
integer(pInt) :: fileType
fileType = 1_pInt ! assume .pes
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//inputFileExtension(fileType) ! attempt .pes, if it exists: it should be used
open(fileUnit+1,status='old',iostat=myStat,file=path)
if(myStat /= 0_pInt) then ! if .pes does not work / exist; use conventional extension, i.e.".inp"
fileType = 2_pInt
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//inputFileExtension(fileType)
open(fileUnit+1,status='old',iostat=myStat,file=path)
endif
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//inputFileExtension(fileType)//'_assembly'
open(fileUnit,iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
if (.not.abaqus_assembleInputFile(fileUnit,fileUnit+1_pInt)) call IO_error(103_pInt) ! strip comments and concatenate any "include"s
close(fileUnit+1_pInt)
#endif
#ifdef Marc4DAMASK
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//inputFileExtension
open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
#endif
end subroutine IO_open_inputFile
!--------------------------------------------------------------------------------------------------
!> @brief opens existing FEM log file for reading to given unit. File is named after solver job
!! name and located in current working directory
!--------------------------------------------------------------------------------------------------
subroutine IO_open_logFile(fileUnit)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName, &
LogFileExtension
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//LogFileExtension
open(fileUnit,status='old',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
end subroutine IO_open_logFile
#endif
!--------------------------------------------------------------------------------------------------
!> @brief opens ASCII file to given unit for writing. File is named after solver job name plus
!! given extension and located in current working directory
!--------------------------------------------------------------------------------------------------
subroutine IO_write_jobFile(fileUnit,ext)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: ext !< extension of file
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext
open(fileUnit,status='replace',iostat=myStat,file=path)
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
end subroutine IO_write_jobFile
!--------------------------------------------------------------------------------------------------
!> @brief opens binary file containing array of pReal numbers to given unit for writing. File is
!! named after solver job name plus given extension and located in current working directory
!--------------------------------------------------------------------------------------------------
subroutine IO_write_jobRealFile(fileUnit,ext,recMultiplier)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: ext !< extension of file
integer(pInt), intent(in), optional :: recMultiplier !< record length (multiple of pReal Numbers, if not given set to one)
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext
if (present(recMultiplier)) then
open(fileUnit,status='replace',form='unformatted',access='direct', &
recl=pReal*recMultiplier,iostat=myStat,file=path)
else
open(fileUnit,status='replace',form='unformatted',access='direct', &
recl=pReal,iostat=myStat,file=path)
endif
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
end subroutine IO_write_jobRealFile
!--------------------------------------------------------------------------------------------------
!> @brief opens binary file containing array of pInt numbers to given unit for writing. File is
!! named after solver job name plus given extension and located in current working directory
!--------------------------------------------------------------------------------------------------
subroutine IO_write_jobIntFile(fileUnit,ext,recMultiplier)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: ext !< extension of file
integer(pInt), intent(in), optional :: recMultiplier !< record length (multiple of pReal Numbers, if not given set to one)
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//ext
if (present(recMultiplier)) then
open(fileUnit,status='replace',form='unformatted',access='direct', &
recl=pInt*recMultiplier,iostat=myStat,file=path)
else
open(fileUnit,status='replace',form='unformatted',access='direct', &
recl=pInt,iostat=myStat,file=path)
endif
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
end subroutine IO_write_jobIntFile
!--------------------------------------------------------------------------------------------------
!> @brief opens binary file containing array of pReal numbers to given unit for reading. File is
!! located in current working directory
!--------------------------------------------------------------------------------------------------
subroutine IO_read_realFile(fileUnit,ext,modelName,recMultiplier)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: ext, & !< extension of file
modelName !< model name, in case of restart not solver job name
integer(pInt), intent(in), optional :: recMultiplier !< record length (multiple of pReal Numbers, if not given set to one)
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//'.'//ext
if (present(recMultiplier)) then
open(fileUnit,status='old',form='unformatted',access='direct', &
recl=pReal*recMultiplier,iostat=myStat,file=path)
else
open(fileUnit,status='old',form='unformatted',access='direct', &
recl=pReal,iostat=myStat,file=path)
endif
if (myStat /= 0_pInt) call IO_error(100_pInt,el=myStat,ext_msg=path)
end subroutine IO_read_realFile
!--------------------------------------------------------------------------------------------------
!> @brief opens binary file containing array of pInt numbers to given unit for reading. File is
!! located in current working directory
!--------------------------------------------------------------------------------------------------
subroutine IO_read_intFile(fileUnit,ext,modelName,recMultiplier)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none
integer(pInt), intent(in) :: fileUnit !< file unit
character(len=*), intent(in) :: ext, & !< extension of file
modelName !< model name, in case of restart not solver job name
integer(pInt), intent(in), optional :: recMultiplier !< record length (multiple of pReal Numbers, if not given set to one)
integer(pInt) :: myStat
character(len=1024) :: path
path = trim(getSolverWorkingDirectoryName())//trim(modelName)//'.'//ext
if (present(recMultiplier)) then
open(fileUnit,status='old',form='unformatted',access='direct', &
recl=pInt*recMultiplier,iostat=myStat,file=path)
else
open(fileUnit,status='old',form='unformatted',access='direct', &
recl=pInt,iostat=myStat,file=path)
endif
if (myStat /= 0) call IO_error(100_pInt,ext_msg=path)
end subroutine IO_read_intFile
#ifdef Abaqus
!--------------------------------------------------------------------------------------------------
!> @brief check if the input file for Abaqus contains part info
!--------------------------------------------------------------------------------------------------
logical function IO_abaqus_hasNoPart(fileUnit)
implicit none
integer(pInt), intent(in) :: fileUnit
integer(pInt), allocatable, dimension(:) :: chunkPos
character(len=65536) :: line
IO_abaqus_hasNoPart = .true.
610 FORMAT(A65536)
rewind(fileUnit)
do
read(fileUnit,610,END=620) line
chunkPos = IO_stringPos(line)
if (IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == '*part' ) then
IO_abaqus_hasNoPart = .false.
exit
endif
enddo
620 end function IO_abaqus_hasNoPart
#endif
!--------------------------------------------------------------------------------------------------
!> @brief hybrid IA sampling of ODFfile
!--------------------------------------------------------------------------------------------------
function IO_hybridIA(Nast,ODFfileName)
use prec, only: &
tol_math_check
implicit none
integer(pInt), intent(in) :: Nast !< number of samples?
real(pReal), dimension(3,Nast) :: IO_hybridIA
character(len=*), intent(in) :: ODFfileName !< name of ODF file including total path
!--------------------------------------------------------------------------------------------------
! math module is not available
real(pReal), parameter :: PI = 3.14159265358979323846264338327950288419716939937510_pReal
real(pReal), parameter :: INRAD = PI/180.0_pReal
integer(pInt) :: i,j,bin,NnonZero,Nset,Nreps,reps,phi1,Phi,phi2
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt), dimension(3) :: steps !< number of steps in phi1, Phi, and phi2 direction
integer(pInt), dimension(4) :: columns !< columns in linearODF file where eulerangles and density are located
integer(pInt), dimension(:), allocatable :: binSet
real(pReal) :: center,sum_dV_V,prob,dg_0,C,lowerC,upperC,rnd
real(pReal), dimension(2,3) :: limits !< starting and end values for eulerangles
real(pReal), dimension(3) :: deltas, & !< angular step size in phi1, Phi, and phi2 direction
eulers !< euler angles when reading from file
real(pReal), dimension(:,:,:), allocatable :: dV_V
character(len=65536) :: line, keyword
integer(pInt) :: headerLength
integer(pInt), parameter :: FILEUNIT = 999_pInt
IO_hybridIA = 0.0_pReal ! initialize return value for case of error
write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName)
!--------------------------------------------------------------------------------------------------
! parse header of ODF file
call IO_open_file(FILEUNIT,ODFfileName)
headerLength = 0_pInt
line=IO_read(FILEUNIT)
chunkPos = IO_stringPos(line)
keyword = IO_lc(IO_StringValue(line,chunkPos,2_pInt,.true.))
if (keyword(1:4) == 'head') then
headerLength = IO_intValue(line,chunkPos,1_pInt) + 1_pInt
else
call IO_error(error_ID=156_pInt, ext_msg='no header found')
endif
!--------------------------------------------------------------------------------------------------
! figure out columns containing data
do i = 1_pInt, headerLength-1_pInt
line=IO_read(FILEUNIT)
enddo
columns = 0_pInt
chunkPos = IO_stringPos(line)
do i = 1_pInt, chunkPos(1)
select case ( IO_lc(IO_StringValue(line,chunkPos,i,.true.)) )
case ('phi1')
columns(1) = i
case ('phi')
columns(2) = i
case ('phi2')
columns(3) = i
case ('intensity')
columns(4) = i
end select
enddo
if (any(columns<1)) call IO_error(error_ID = 156_pInt, ext_msg='could not find expected header')
!--------------------------------------------------------------------------------------------------
! determine limits, number of steps and step size
limits(1,1:3) = 721.0_pReal
limits(2,1:3) = -1.0_pReal
steps = 0_pInt
line=IO_read(FILEUNIT)
do while (trim(line) /= IO_EOF)
chunkPos = IO_stringPos(line)
eulers=[IO_floatValue(line,chunkPos,columns(1)),&
IO_floatValue(line,chunkPos,columns(2)),&
IO_floatValue(line,chunkPos,columns(3))]
steps = steps + merge(1,0,eulers>limits(2,1:3))
limits(1,1:3) = min(limits(1,1:3),eulers)
limits(2,1:3) = max(limits(2,1:3),eulers)
line=IO_read(FILEUNIT)
enddo
deltas = (limits(2,1:3)-limits(1,1:3))/real(steps-1_pInt,pReal)
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Starting angles / ° = ',limits(1,1:3)
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Ending angles / ° = ',limits(2,1:3)
write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Angular steps / ° = ',deltas
if (all(abs(limits(1,1:3)) < tol_math_check)) then
write(6,'(/,a,/)',advance='no') ' assuming vertex centered data'
center = 0.0_pReal ! no need to shift
if (any(mod(int(limits(2,1:3),pInt),90)==0)) &
call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data repeated at right boundary')
else
write(6,'(/,a,/)',advance='no') ' assuming cell centered data'
center = 0.5_pReal ! shift data by half of a bin
endif
limits = limits*INRAD
deltas = deltas*INRAD
!--------------------------------------------------------------------------------------------------
! read in data
allocate(dV_V(steps(3),steps(2),steps(1)),source=0.0_pReal)
sum_dV_V = 0.0_pReal
dg_0 = deltas(1)*deltas(3)*2.0_pReal*sin(deltas(2)/2.0_pReal)
NnonZero = 0_pInt
call IO_checkAndRewind(FILEUNIT) ! forward
do i = 1_pInt, headerLength
line=IO_read(FILEUNIT)
enddo
do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2); do phi2=1_pInt,steps(3)
line=IO_read(FILEUNIT)
chunkPos = IO_stringPos(line)
eulers=[IO_floatValue(line,chunkPos,columns(1)),& ! read in again for consistency check only
IO_floatValue(line,chunkPos,columns(2)),&
IO_floatValue(line,chunkPos,columns(3))]*INRAD
if (any(abs((real([phi1,phi,phi2],pReal) -1.0_pReal + center)*deltas-eulers)>tol_math_check)) & ! check if data is in expected order (phi2 fast) and correct for Fortran starting at 1
call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order')
prob = IO_floatValue(line,chunkPos,columns(4))
if (prob > 0.0_pReal) then
NnonZero = NnonZero+1_pInt
sum_dV_V = sum_dV_V+prob
else
prob = 0.0_pReal
endif
dV_V(phi2,Phi,phi1) = prob*dg_0*sin((Phi-1.0_pReal+center)*deltas(2))
enddo; enddo; enddo
close(FILEUNIT)
dV_V = dV_V/sum_dV_V ! normalize to 1
!--------------------------------------------------------------------------------------------------
! now fix bounds
Nset = max(Nast,NnonZero) ! if less than non-zero voxel count requested, sample at least that much
lowerC = 0.0_pReal
upperC = real(Nset, pReal)
do while (hybridIA_reps(dV_V,steps,upperC) < Nset)
lowerC = upperC
upperC = upperC*2.0_pReal
enddo
!--------------------------------------------------------------------------------------------------
! binary search for best C
do
C = (upperC+lowerC)/2.0_pReal
Nreps = hybridIA_reps(dV_V,steps,C)
if (abs(upperC-lowerC) < upperC*1.0e-14_pReal) then
C = upperC
Nreps = hybridIA_reps(dV_V,steps,C)
exit
elseif (Nreps < Nset) then
lowerC = C
elseif (Nreps > Nset) then
upperC = C
else
exit
endif
enddo
allocate(binSet(Nreps))
bin = 0_pInt ! bin counter
i = 1_pInt ! set counter
do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2) ;do phi2=1_pInt,steps(3)
reps = nint(C*dV_V(phi2,Phi,phi1), pInt)
binSet(i:i+reps-1) = bin
bin = bin+1_pInt ! advance bin
i = i+reps ! advance set
enddo; enddo; enddo
do i=1_pInt,Nast
if (i < Nast) then
call random_number(rnd)
j = nint(rnd*(Nreps-i)+i+0.5_pReal,pInt)
else
j = i
endif
bin = binSet(j)
IO_hybridIA(1,i) = deltas(1)*(real(mod(bin/(steps(3)*steps(2)),steps(1)),pReal)+center) ! phi1
IO_hybridIA(2,i) = deltas(2)*(real(mod(bin/ steps(3) ,steps(2)),pReal)+center) ! Phi
IO_hybridIA(3,i) = deltas(3)*(real(mod(bin ,steps(3)),pReal)+center) ! phi2
binSet(j) = binSet(i)
enddo
contains
!--------------------------------------------------------------------------------------------------
!> @brief counts hybrid IA repetitions
!--------------------------------------------------------------------------------------------------
integer(pInt) pure function hybridIA_reps(dV_V,steps,C)
implicit none
integer(pInt), intent(in), dimension(3) :: steps !< number of bins in Euler space
real(pReal), intent(in), dimension(steps(3),steps(2),steps(1)) :: dV_V !< needs description
real(pReal), intent(in) :: C !< needs description
integer(pInt) :: phi1,Phi,phi2
hybridIA_reps = 0_pInt
do phi1=1_pInt,steps(1); do Phi =1_pInt,steps(2); do phi2=1_pInt,steps(3)
hybridIA_reps = hybridIA_reps+nint(C*dV_V(phi2,Phi,phi1), pInt)
enddo; enddo; enddo
end function hybridIA_reps
end function IO_hybridIA
!--------------------------------------------------------------------------------------------------
!> @brief identifies strings without content
!--------------------------------------------------------------------------------------------------
logical pure function IO_isBlank(string)
implicit none
character(len=*), intent(in) :: string !< string to check for content
character(len=*), parameter :: blankChar = achar(32)//achar(9)//achar(10)//achar(13) ! whitespaces
character(len=*), parameter :: comment = achar(35) ! comment id '#'
integer :: posNonBlank, posComment ! no pInt
posNonBlank = verify(string,blankChar)
posComment = scan(string,comment)
IO_isBlank = posNonBlank == 0 .or. posNonBlank == posComment
end function IO_isBlank
!--------------------------------------------------------------------------------------------------
!> @brief get tagged content of string
!--------------------------------------------------------------------------------------------------
pure function IO_getTag(string,openChar,closeChar)
implicit none
character(len=*), intent(in) :: string !< string to check for tag
character(len=len_trim(string)) :: IO_getTag
character(len=*), intent(in) :: openChar, & !< indicates beginning of tag
closeChar !< indicates end of tag
character(len=*), parameter :: SEP=achar(32)//achar(9)//achar(10)//achar(13) ! whitespaces
integer :: left,right ! no pInt
IO_getTag = ''
left = scan(string,openChar)
right = scan(string,closeChar)
if (left == verify(string,SEP) .and. right > left) & ! openChar is first and closeChar occurs
IO_getTag = string(left+1:right-1)
end function IO_getTag
!--------------------------------------------------------------------------------------------------
!> @brief count number of [sections] in <part> for given file handle
!--------------------------------------------------------------------------------------------------
integer(pInt) function IO_countSections(fileUnit,part)
implicit none
integer(pInt), intent(in) :: fileUnit !< file handle
character(len=*), intent(in) :: part !< part name in which sections are counted
character(len=65536) :: line
line = ''
IO_countSections = 0_pInt
rewind(fileUnit)
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
line = IO_read(fileUnit)
enddo
do while (trim(line) /= IO_EOF)
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') & ! found [section] identifier
IO_countSections = IO_countSections + 1_pInt
enddo
end function IO_countSections
!--------------------------------------------------------------------------------------------------
!> @brief returns array of tag counts within <part> for at most N [sections]
!--------------------------------------------------------------------------------------------------
function IO_countTagInPart(fileUnit,part,tag,Nsections)
implicit none
integer(pInt), intent(in) :: Nsections !< maximum number of sections in which tag is searched for
integer(pInt), dimension(Nsections) :: IO_countTagInPart
integer(pInt), intent(in) :: fileUnit !< file handle
character(len=*),intent(in) :: part, & !< part in which tag is searched for
tag !< tag to search for
integer(pInt), dimension(Nsections) :: counter
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: section
character(len=65536) :: line
line = ''
counter = 0_pInt
section = 0_pInt
rewind(fileUnit)
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
line = IO_read(fileUnit)
enddo
do while (trim(line) /= IO_EOF)
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') section = section + 1_pInt ! found [section] identifier
if (section > 0) then
chunkPos = IO_stringPos(line)
if (tag == trim(IO_lc(IO_stringValue(line,chunkPos,1_pInt)))) & ! match
counter(section) = counter(section) + 1_pInt
endif
enddo
IO_countTagInPart = counter
end function IO_countTagInPart
!--------------------------------------------------------------------------------------------------
!> @brief returns array of tag presence within <part> for at most N [sections]
!--------------------------------------------------------------------------------------------------
function IO_spotTagInPart(fileUnit,part,tag,Nsections)
implicit none
integer(pInt), intent(in) :: Nsections !< maximum number of sections in which tag is searched for
logical, dimension(Nsections) :: IO_spotTagInPart
integer(pInt), intent(in) :: fileUnit !< file handle
character(len=*),intent(in) :: part, & !< part in which tag is searched for
tag !< tag to search for
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: section
character(len=65536) :: line
IO_spotTagInPart = .false. ! assume to nowhere spot tag
section = 0_pInt
line =''
rewind(fileUnit)
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
line = IO_read(fileUnit)
enddo
do while (trim(line) /= IO_EOF)
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') section = section + 1_pInt ! found [section] identifier
if (section > 0_pInt) then
chunkPos = IO_stringPos(line)
if (tag == trim(IO_lc(IO_stringValue(line,chunkPos,1_pInt)))) & ! match
IO_spotTagInPart(section) = .true.
endif
enddo
end function IO_spotTagInPart
!--------------------------------------------------------------------------------------------------
!> @brief return logical whether tag is present within <part> before any [sections]
!--------------------------------------------------------------------------------------------------
logical function IO_globalTagInPart(fileUnit,part,tag)
implicit none
integer(pInt), intent(in) :: fileUnit !< file handle
character(len=*),intent(in) :: part, & !< part in which tag is searched for
tag !< tag to search for
integer(pInt), allocatable, dimension(:) :: chunkPos
integer(pInt) :: section
character(len=65536) :: line
IO_globalTagInPart = .false. ! assume to nowhere spot tag
section = 0_pInt
line =''
rewind(fileUnit)
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
line = IO_read(fileUnit)
enddo
do while (trim(line) /= IO_EOF)
line = IO_read(fileUnit)
if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') then ! stop at next part
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
endif
if (IO_getTag(line,'[',']') /= '') section = section + 1_pInt ! found [section] identifier
if (section == 0_pInt) then
chunkPos = IO_stringPos(line)
if (tag == trim(IO_lc(IO_stringValue(line,chunkPos,1_pInt)))) & ! match
IO_globalTagInPart = .true.
endif
enddo
end function IO_globalTagInPart
!--------------------------------------------------------------------------------------------------
!> @brief locates all space-separated chunks in given string and returns array containing number
!! them and the left/right position to be used by IO_xxxVal
!! Array size is dynamically adjusted to number of chunks found in string
!! IMPORTANT: first element contains number of chunks!
!--------------------------------------------------------------------------------------------------
pure function IO_stringPos(string)
implicit none
integer(pInt), dimension(:), allocatable :: IO_stringPos
character(len=*), intent(in) :: string !< string in which chunk positions are searched for
character(len=*), parameter :: SEP=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
integer :: left, right ! no pInt (verify and scan return default integer)
allocate(IO_stringPos(1), source=0_pInt)
right = 0
do while (verify(string(right+1:),SEP)>0)
left = right + verify(string(right+1:),SEP)
right = left + scan(string(left:),SEP) - 2
if ( string(left:left) == '#' ) exit
IO_stringPos = [IO_stringPos,int(left, pInt), int(right, pInt)]
IO_stringPos(1) = IO_stringPos(1)+1_pInt
enddo
end function IO_stringPos
!--------------------------------------------------------------------------------------------------
!> @brief reads string value at myChunk from string
!--------------------------------------------------------------------------------------------------
function IO_stringValue(string,chunkPos,myChunk,silent)
implicit none
integer(pInt), dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
integer(pInt), intent(in) :: myChunk !< position number of desired chunk
character(len=*), intent(in) :: string !< raw input with known start and end of each chunk
character(len=:), allocatable :: IO_stringValue
logical, optional,intent(in) :: silent !< switch to trigger verbosity
character(len=16), parameter :: MYNAME = 'IO_stringValue: '
logical :: warn
if (.not. present(silent)) then
warn = .false.
else
warn = silent
endif
IO_stringValue = ''
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then
if (warn) call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string))
else valuePresent
IO_stringValue = string(chunkPos(myChunk*2):chunkPos(myChunk*2+1))
endif valuePresent
end function IO_stringValue
!--------------------------------------------------------------------------------------------------
!> @brief reads string value at myChunk from fixed format string
!--------------------------------------------------------------------------------------------------
pure function IO_fixedStringValue (string,ends,myChunk)
implicit none
integer(pInt), intent(in) :: myChunk !< position number of desired chunk
integer(pInt), dimension(:), intent(in) :: ends !< positions of end of each tag/chunk in given string
character(len=ends(myChunk+1)-ends(myChunk)) :: IO_fixedStringValue
character(len=*), intent(in) :: string !< raw input with known ends of each chunk
IO_fixedStringValue = string(ends(myChunk)+1:ends(myChunk+1))
end function IO_fixedStringValue
!--------------------------------------------------------------------------------------------------
!> @brief reads float value at myChunk from string
!--------------------------------------------------------------------------------------------------
real(pReal) function IO_floatValue (string,chunkPos,myChunk)
implicit none
integer(pInt), dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
integer(pInt), intent(in) :: myChunk !< position number of desired chunk
character(len=*), intent(in) :: string !< raw input with known start and end of each chunk
character(len=15), parameter :: MYNAME = 'IO_floatValue: '
character(len=17), parameter :: VALIDCHARACTERS = '0123456789eEdD.+-'
IO_floatValue = 0.0_pReal
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then
call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string))
else valuePresent
IO_floatValue = &
IO_verifyFloatValue(trim(adjustl(string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)))),&
VALIDCHARACTERS,MYNAME)
endif valuePresent
end function IO_floatValue
!--------------------------------------------------------------------------------------------------
!> @brief reads float value at myChunk from fixed format string
!--------------------------------------------------------------------------------------------------
real(pReal) function IO_fixedFloatValue (string,ends,myChunk)
implicit none
character(len=*), intent(in) :: string !< raw input with known ends of each chunk
integer(pInt), intent(in) :: myChunk !< position number of desired chunk
integer(pInt), dimension(:), intent(in) :: ends !< positions of end of each tag/chunk in given string
character(len=20), parameter :: MYNAME = 'IO_fixedFloatValue: '
character(len=17), parameter :: VALIDCHARACTERS = '0123456789eEdD.+-'
IO_fixedFloatValue = &
IO_verifyFloatValue(trim(adjustl(string(ends(myChunk)+1_pInt:ends(myChunk+1_pInt)))),&
VALIDCHARACTERS,MYNAME)
end function IO_fixedFloatValue
!--------------------------------------------------------------------------------------------------
!> @brief reads float x.y+z value at myChunk from format string
!--------------------------------------------------------------------------------------------------
real(pReal) function IO_fixedNoEFloatValue (string,ends,myChunk)
implicit none
character(len=*), intent(in) :: string !< raw input with known ends of each chunk
integer(pInt), intent(in) :: myChunk !< position number of desired chunk
integer(pInt), dimension(:), intent(in) :: ends !< positions of end of each tag/chunk in given string
character(len=22), parameter :: MYNAME = 'IO_fixedNoEFloatValue '
character(len=13), parameter :: VALIDBASE = '0123456789.+-'
character(len=12), parameter :: VALIDEXP = '0123456789+-'
real(pReal) :: base
integer(pInt) :: expon
integer :: pos_exp
pos_exp = scan(string(ends(myChunk)+1:ends(myChunk+1)),'+-',back=.true.)
hasExponent: if (pos_exp > 1) then
base = IO_verifyFloatValue(trim(adjustl(string(ends(myChunk)+1_pInt:ends(myChunk)+pos_exp-1_pInt))),&
VALIDBASE,MYNAME//'(base): ')
expon = IO_verifyIntValue(trim(adjustl(string(ends(myChunk)+pos_exp:ends(myChunk+1_pInt)))),&
VALIDEXP,MYNAME//'(exp): ')
else hasExponent
base = IO_verifyFloatValue(trim(adjustl(string(ends(myChunk)+1_pInt:ends(myChunk+1_pInt)))),&
VALIDBASE,MYNAME//'(base): ')
expon = 0_pInt
endif hasExponent
IO_fixedNoEFloatValue = base*10.0_pReal**real(expon,pReal)
end function IO_fixedNoEFloatValue
!--------------------------------------------------------------------------------------------------
!> @brief reads integer value at myChunk from string
!--------------------------------------------------------------------------------------------------
integer(pInt) function IO_intValue(string,chunkPos,myChunk)
implicit none
character(len=*), intent(in) :: string !< raw input with known start and end of each chunk
integer(pInt), intent(in) :: myChunk !< position number of desired chunk
integer(pInt), dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
character(len=13), parameter :: MYNAME = 'IO_intValue: '
character(len=12), parameter :: VALIDCHARACTERS = '0123456789+-'
IO_intValue = 0_pInt
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then
call IO_warning(201,el=myChunk,ext_msg=MYNAME//trim(string))
else valuePresent
IO_intValue = IO_verifyIntValue(trim(adjustl(string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)))),&
VALIDCHARACTERS,MYNAME)
endif valuePresent
end function IO_intValue
!--------------------------------------------------------------------------------------------------
!> @brief reads integer value at myChunk from fixed format string
!--------------------------------------------------------------------------------------------------
integer(pInt) function IO_fixedIntValue(string,ends,myChunk)
implicit none
character(len=*), intent(in) :: string !< raw input with known ends of each chunk
integer(pInt), intent(in) :: myChunk !< position number of desired chunk
integer(pInt), dimension(:), intent(in) :: ends !< positions of end of each tag/chunk in given string
character(len=20), parameter :: MYNAME = 'IO_fixedIntValue: '
character(len=12), parameter :: VALIDCHARACTERS = '0123456789+-'
IO_fixedIntValue = IO_verifyIntValue(trim(adjustl(string(ends(myChunk)+1_pInt:ends(myChunk+1_pInt)))),&
VALIDCHARACTERS,MYNAME)
end function IO_fixedIntValue
!--------------------------------------------------------------------------------------------------
!> @brief changes characters in string to lower case
!--------------------------------------------------------------------------------------------------
pure function IO_lc(string)
implicit none
character(len=*), intent(in) :: string !< string to convert
character(len=len(string)) :: IO_lc
character(26), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
character(26), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
integer :: i,n ! no pInt (len returns default integer)
IO_lc = string
do i=1,len(string)
n = index(UPPER,IO_lc(i:i))
if (n/=0) IO_lc(i:i) = LOWER(n:n)
enddo
end function IO_lc
!--------------------------------------------------------------------------------------------------
!> @brief reads file to skip (at least) N chunks (may be over multiple lines)
!--------------------------------------------------------------------------------------------------
subroutine IO_skipChunks(fileUnit,N)
implicit none
integer(pInt), intent(in) :: fileUnit, & !< file handle
N !< minimum number of chunks to skip
integer(pInt) :: remainingChunks
character(len=65536) :: line
line = ''
remainingChunks = N
do while (trim(line) /= IO_EOF .and. remainingChunks > 0)
line = IO_read(fileUnit)
remainingChunks = remainingChunks - (size(IO_stringPos(line))-1_pInt)/2_pInt
enddo
end subroutine IO_skipChunks
!--------------------------------------------------------------------------------------------------
!> @brief extracts string value from key=value pair and check whether key matches
!--------------------------------------------------------------------------------------------------
character(len=300) pure function IO_extractValue(pair,key)
implicit none
character(len=*), intent(in) :: pair, & !< key=value pair
key !< key to be expected
character(len=*), parameter :: SEP = achar(61) ! '='
integer :: myChunk !< position number of desired chunk
IO_extractValue = ''
myChunk = scan(pair,SEP)
if (myChunk > 0 .and. pair(:myChunk-1) == key(:myChunk-1)) &
IO_extractValue = pair(myChunk+1:) ! extract value if key matches
end function IO_extractValue
!--------------------------------------------------------------------------------------------------
!> @brief count lines containig data up to next *keyword
!--------------------------------------------------------------------------------------------------
integer(pInt) function IO_countDataLines(fileUnit)
implicit none
integer(pInt), intent(in) :: fileUnit !< file handle
integer(pInt), allocatable, dimension(:) :: chunkPos
character(len=65536) :: line, &
tmp
IO_countDataLines = 0_pInt
line = ''
do while (trim(line) /= IO_EOF)
line = IO_read(fileUnit)
chunkPos = IO_stringPos(line)
tmp = IO_lc(IO_stringValue(line,chunkPos,1_pInt))
if (tmp(1:1) == '*' .and. tmp(2:2) /= '*') then ! found keyword
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
else
if (tmp(2:2) /= '*') IO_countDataLines = IO_countDataLines + 1_pInt
endif
enddo
backspace(fileUnit)
end function IO_countDataLines
!--------------------------------------------------------------------------------------------------
!> @brief count items in consecutive lines depending on lines
!> @details Marc: ints concatenated by "c" as last char or range of values a "to" b
!> Abaqus: triplet of start,stop,inc
!> Spectral: ints concatenated range of a "to" b, multiple entries with a "of" b
!--------------------------------------------------------------------------------------------------
integer(pInt) function IO_countContinuousIntValues(fileUnit)
implicit none
integer(pInt), intent(in) :: fileUnit
#ifdef Abaqus
integer(pInt) :: l,c
#endif
integer(pInt), allocatable, dimension(:) :: chunkPos
character(len=65536) :: line
IO_countContinuousIntValues = 0_pInt
line = ''
#ifndef Abaqus
do while (trim(line) /= IO_EOF)
line = IO_read(fileUnit)
chunkPos = IO_stringPos(line)
if (chunkPos(1) < 1_pInt) then ! empty line
line = IO_read(fileUnit, .true.) ! reset IO_read
exit
elseif (IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'to' ) then ! found range indicator
IO_countContinuousIntValues = 1_pInt + IO_intValue(line,chunkPos,3_pInt) &
- IO_intValue(line,chunkPos,1_pInt)
line = IO_read(fileUnit, .true.) ! reset IO_read
exit ! only one single range indicator allowed
else if (IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'of' ) then ! found multiple entries indicator
IO_countContinuousIntValues = IO_intValue(line,chunkPos,1_pInt)
line = IO_read(fileUnit, .true.) ! reset IO_read
exit ! only one single multiplier allowed
else
IO_countContinuousIntValues = IO_countContinuousIntValues+chunkPos(1)-1_pInt ! add line's count when assuming 'c'
if ( IO_lc(IO_stringValue(line,chunkPos,chunkPos(1))) /= 'c' ) then ! line finished, read last value
IO_countContinuousIntValues = IO_countContinuousIntValues+1_pInt
line = IO_read(fileUnit, .true.) ! reset IO_read
exit ! data ended
endif
endif
enddo
#else
c = IO_countDataLines(fileUnit)
do l = 1_pInt,c
backspace(fileUnit) ! ToDo: substitute by rewind?
enddo
l = 1_pInt
do while (trim(line) /= IO_EOF .and. l <= c) ! ToDo: is this correct
l = l + 1_pInt
line = IO_read(fileUnit)
chunkPos = IO_stringPos(line)
IO_countContinuousIntValues = IO_countContinuousIntValues + 1_pInt + & ! assuming range generation
(IO_intValue(line,chunkPos,2_pInt)-IO_intValue(line,chunkPos,1_pInt))/&
max(1_pInt,IO_intValue(line,chunkPos,3_pInt))
enddo
#endif
end function IO_countContinuousIntValues
!--------------------------------------------------------------------------------------------------
!> @brief return integer list corrsponding to items in consecutive lines.
!! First integer in array is counter
!> @details Marc: ints concatenated by "c" as last char, range of a "to" b, or named set
!! Abaqus: triplet of start,stop,inc or named set
!! Spectral: ints concatenated range of a "to" b, multiple entries with a "of" b
!--------------------------------------------------------------------------------------------------
function IO_continuousIntValues(fileUnit,maxN,lookupName,lookupMap,lookupMaxN)
implicit none
integer(pInt), intent(in) :: maxN
integer(pInt), dimension(1+maxN) :: IO_continuousIntValues
integer(pInt), intent(in) :: fileUnit, &
lookupMaxN
integer(pInt), dimension(:,:), intent(in) :: lookupMap
character(len=64), dimension(:), intent(in) :: lookupName
integer(pInt) :: i
#ifdef Abaqus
integer(pInt) :: j,l,c,first,last
#endif
integer(pInt), allocatable, dimension(:) :: chunkPos
character(len=65536) line
logical rangeGeneration
IO_continuousIntValues = 0_pInt
rangeGeneration = .false.
#ifndef Abaqus
do
read(fileUnit,'(A65536)',end=100) line
chunkPos = IO_stringPos(line)
if (chunkPos(1) < 1_pInt) then ! empty line
exit
elseif (verify(IO_stringValue(line,chunkPos,1_pInt),'0123456789') > 0) then ! a non-int, i.e. set name
do i = 1_pInt, lookupMaxN ! loop over known set names
if (IO_stringValue(line,chunkPos,1_pInt) == lookupName(i)) then ! found matching name
IO_continuousIntValues = lookupMap(:,i) ! return resp. entity list
exit
endif
enddo
exit
else if (chunkPos(1) > 2_pInt .and. IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'to' ) then ! found range indicator
do i = IO_intValue(line,chunkPos,1_pInt),IO_intValue(line,chunkPos,3_pInt)
IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt
IO_continuousIntValues(1+IO_continuousIntValues(1)) = i
enddo
exit
else if (chunkPos(1) > 2_pInt .and. IO_lc(IO_stringValue(line,chunkPos,2_pInt)) == 'of' ) then ! found multiple entries indicator
IO_continuousIntValues(1) = IO_intValue(line,chunkPos,1_pInt)
IO_continuousIntValues(2:IO_continuousIntValues(1)+1) = IO_intValue(line,chunkPos,3_pInt)
exit
else
do i = 1_pInt,chunkPos(1)-1_pInt ! interpret up to second to last value
IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt
IO_continuousIntValues(1+IO_continuousIntValues(1)) = IO_intValue(line,chunkPos,i)
enddo
if ( IO_lc(IO_stringValue(line,chunkPos,chunkPos(1))) /= 'c' ) then ! line finished, read last value
IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt
IO_continuousIntValues(1+IO_continuousIntValues(1)) = IO_intValue(line,chunkPos,chunkPos(1))
exit
endif
endif
enddo
#else
c = IO_countDataLines(fileUnit)
do l = 1_pInt,c
backspace(fileUnit)
enddo
!--------------------------------------------------------------------------------------------------
! check if the element values in the elset are auto generated
backspace(fileUnit)
read(fileUnit,'(A65536)',end=100) line
chunkPos = IO_stringPos(line)
do i = 1_pInt,chunkPos(1)
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'generate') rangeGeneration = .true.
enddo
do l = 1_pInt,c
read(fileUnit,'(A65536)',end=100) line
chunkPos = IO_stringPos(line)
if (verify(IO_stringValue(line,chunkPos,1_pInt),'0123456789') > 0) then ! a non-int, i.e. set names follow on this line
do i = 1_pInt,chunkPos(1) ! loop over set names in line
do j = 1_pInt,lookupMaxN ! look through known set names
if (IO_stringValue(line,chunkPos,i) == lookupName(j)) then ! found matching name
first = 2_pInt + IO_continuousIntValues(1) ! where to start appending data
last = first + lookupMap(1,j) - 1_pInt ! up to where to append data
IO_continuousIntValues(first:last) = lookupMap(2:1+lookupMap(1,j),j) ! add resp. entity list
IO_continuousIntValues(1) = IO_continuousIntValues(1) + lookupMap(1,j) ! count them
endif
enddo
enddo
else if (rangeGeneration) then ! range generation
do i = IO_intValue(line,chunkPos,1_pInt),&
IO_intValue(line,chunkPos,2_pInt),&
max(1_pInt,IO_intValue(line,chunkPos,3_pInt))
IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt
IO_continuousIntValues(1+IO_continuousIntValues(1)) = i
enddo
else ! read individual elem nums
do i = 1_pInt,chunkPos(1)
IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt
IO_continuousIntValues(1+IO_continuousIntValues(1)) = IO_intValue(line,chunkPos,i)
enddo
endif
enddo
#endif
100 end function IO_continuousIntValues
!--------------------------------------------------------------------------------------------------
!> @brief returns format string for integer values without leading zeros
!--------------------------------------------------------------------------------------------------
pure function IO_intOut(intToPrint)
implicit none
character(len=19) :: N_Digits ! maximum digits for 64 bit integer
character(len=40) :: IO_intOut
integer(pInt), intent(in) :: intToPrint
write(N_Digits, '(I19.19)') 1_pInt + int(log10(real(intToPrint)),pInt)
IO_intOut = 'I'//trim(N_Digits)//'.'//trim(N_Digits)
end function IO_intOut
!--------------------------------------------------------------------------------------------------
!> @brief returns time stamp
!--------------------------------------------------------------------------------------------------
function IO_timeStamp()
implicit none
character(len=10) :: IO_timeStamp
integer(pInt), dimension(8) :: values
call DATE_AND_TIME(VALUES=values)
write(IO_timeStamp,'(i2.2,a1,i2.2,a1,i2.2)') values(5),':',values(6),':',values(7)
end function IO_timeStamp
!--------------------------------------------------------------------------------------------------
!> @brief write error statements to standard out and terminate the Marc/spectral run with exit #9xxx
!> in ABAQUS either time step is reduced or execution terminated
!--------------------------------------------------------------------------------------------------
subroutine IO_error(error_ID,el,ip,g,ext_msg)
implicit none
integer(pInt), intent(in) :: error_ID
integer(pInt), optional, intent(in) :: el,ip,g
character(len=*), optional, intent(in) :: ext_msg
external :: quit
character(len=1024) :: msg
character(len=1024) :: formatString
select case (error_ID)
!--------------------------------------------------------------------------------------------------
! internal errors
case (0_pInt)
msg = 'internal check failed:'
!--------------------------------------------------------------------------------------------------
! file handling errors
case (100_pInt)
msg = 'could not open file:'
case (101_pInt)
msg = 'write error for file:'
case (102_pInt)
msg = 'could not read file:'
case (103_pInt)
msg = 'could not assemble input files'
case (104_pInt)
msg = '{input} recursion limit reached'
case (105_pInt)
msg = 'unknown output:'
!--------------------------------------------------------------------------------------------------
! lattice error messages
case (130_pInt)
msg = 'unknown lattice structure encountered'
case (131_pInt)
msg = 'hex lattice structure with invalid c/a ratio'
case (132_pInt)
msg = 'trans_lattice_structure not possible'
case (133_pInt)
msg = 'transformed hex lattice structure with invalid c/a ratio'
case (135_pInt)
msg = 'zero entry on stiffness diagonal'
case (136_pInt)
msg = 'zero entry on stiffness diagonal for transformed phase'
!--------------------------------------------------------------------------------------------------
! material error messages and related messages in mesh
case (150_pInt)
msg = 'index out of bounds'
case (151_pInt)
msg = 'microstructure has no constituents'
case (153_pInt)
msg = 'sum of phase fractions differs from 1'
case (154_pInt)
msg = 'homogenization index out of bounds'
case (155_pInt)
msg = 'microstructure index out of bounds'
case (156_pInt)
msg = 'reading from ODF file'
case (157_pInt)
msg = 'illegal texture transformation specified'
case (160_pInt)
msg = 'no entries in config part'
case (165_pInt)
msg = 'homogenization configuration'
case (170_pInt)
msg = 'no homogenization specified via State Variable 2'
case (180_pInt)
msg = 'no microstructure specified via State Variable 3'
case (190_pInt)
msg = 'unknown element type:'
!--------------------------------------------------------------------------------------------------
! plasticity error messages
case (200_pInt)
msg = 'unknown elasticity specified:'
case (201_pInt)
msg = 'unknown plasticity specified:'
case (210_pInt)
msg = 'unknown material parameter:'
case (211_pInt)
msg = 'material parameter out of bounds:'
!--------------------------------------------------------------------------------------------------
! numerics error messages
case (300_pInt)
msg = 'unknown numerics parameter:'
case (301_pInt)
msg = 'numerics parameter out of bounds:'
!--------------------------------------------------------------------------------------------------
! math errors
case (400_pInt)
msg = 'matrix inversion error'
case (401_pInt)
msg = 'math_check: quat -> axisAngle -> quat failed'
case (402_pInt)
msg = 'math_check: quat -> R -> quat failed'
case (403_pInt)
msg = 'math_check: quat -> euler -> quat failed'
case (404_pInt)
msg = 'math_check: R -> euler -> R failed'
case (405_pInt)
msg = 'I_TO_HALTON-error: an input base BASE is <= 1'
case (406_pInt)
msg = 'Prime-error: N must be between 0 and PRIME_MAX'
case (407_pInt)
msg = 'Polar decomposition error'
case (409_pInt)
msg = 'math_check: R*v == q*v failed'
case (410_pInt)
msg = 'eigenvalues computation error'
case (450_pInt)
msg = 'unknown symmetry type specified'
!-------------------------------------------------------------------------------------------------
! homogenization errors
case (500_pInt)
msg = 'unknown homogenization specified'
!--------------------------------------------------------------------------------------------------
! user errors
case (600_pInt)
msg = 'Ping-Pong not possible when using non-DAMASK elements'
case (601_pInt)
msg = 'Ping-Pong needed when using non-local plasticity'
case (602_pInt)
msg = 'invalid element/IP/component (grain) selected for debug'
!-------------------------------------------------------------------------------------------------
! DAMASK_marc errors
case (700_pInt)
msg = 'invalid materialpoint result requested'
!-------------------------------------------------------------------------------------------------
! errors related to spectral solver
case (809_pInt)
msg = 'initializing FFTW'
case (810_pInt)
msg = 'FFTW plan creation'
case (831_pInt)
msg = 'mask consistency violated in spectral loadcase'
case (832_pInt)
msg = 'ill-defined L (line partly defined) in spectral loadcase'
case (834_pInt)
msg = 'negative time increment in spectral loadcase'
case (835_pInt)
msg = 'non-positive increments in spectral loadcase'
case (836_pInt)
msg = 'non-positive result frequency in spectral loadcase'
case (837_pInt)
msg = 'incomplete loadcase'
case (838_pInt)
msg = 'mixed boundary conditions allow rotation'
case (841_pInt)
msg = 'missing header length info in spectral mesh'
case (842_pInt)
msg = 'homogenization in spectral mesh'
case (843_pInt)
msg = 'grid in spectral mesh'
case (844_pInt)
msg = 'size in spectral mesh'
case (845_pInt)
msg = 'incomplete information in spectral mesh header'
case (846_pInt)
msg = 'not a rotation defined for loadcase rotation'
case (847_pInt)
msg = 'update of gamma operator not possible when pre-calculated'
case (880_pInt)
msg = 'mismatch of microstructure count and a*b*c in geom file'
case (890_pInt)
msg = 'invalid input for regridding'
case (891_pInt)
msg = 'unknown solver type selected'
case (892_pInt)
msg = 'unknown filter type selected'
case (893_pInt)
msg = 'PETSc: SNES_DIVERGED_FNORM_NAN'
!-------------------------------------------------------------------------------------------------
! error messages related to parsing of Abaqus input file
case (900_pInt)
msg = 'improper definition of nodes in input file (Nnodes < 2)'
case (901_pInt)
msg = 'no elements defined in input file (Nelems = 0)'
case (902_pInt)
msg = 'no element sets defined in input file (No *Elset exists)'
case (903_pInt)
msg = 'no materials defined in input file (Look into section assigments)'
case (904_pInt)
msg = 'no elements could be assigned for Elset: '
case (905_pInt)
msg = 'error in mesh_abaqus_map_materials'
case (906_pInt)
msg = 'error in mesh_abaqus_count_cpElements'
case (907_pInt)
msg = 'size of mesh_mapFEtoCPelem in mesh_abaqus_map_elements'
case (908_pInt)
msg = 'size of mesh_mapFEtoCPnode in mesh_abaqus_map_nodes'
case (909_pInt)
msg = 'size of mesh_node in mesh_abaqus_build_nodes not equal to mesh_Nnodes'
!-------------------------------------------------------------------------------------------------
! general error messages
case (666_pInt)
msg = 'memory leak detected'
case default
msg = 'unknown error number...'
end select
!$OMP CRITICAL (write2out)
write(6,'(/,a)') ' +--------------------------------------------------------+'
write(6,'(a)') ' + error +'
write(6,'(a,i3,a)') ' + ',error_ID,' +'
write(6,'(a)') ' + +'
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(msg))),',',&
max(1,60-len(trim(msg))-5),'x,a)'
write(6,formatString) '+ ', trim(msg),'+'
if (present(ext_msg)) then
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(ext_msg))),',',&
max(1,60-len(trim(ext_msg))-5),'x,a)'
write(6,formatString) '+ ', trim(ext_msg),'+'
endif
if (present(el)) then
if (present(ip)) then
if (present(g)) then
write(6,'(a13,1x,i9,1x,a2,1x,i2,1x,a5,1x,i4,18x,a1)') ' + at element',el,'IP',ip,'grain',g,'+'
else
write(6,'(a13,1x,i9,1x,a2,1x,i2,29x,a1)') ' + at element',el,'IP',ip,'+'
endif
else
write(6,'(a13,1x,i9,35x,a1)') ' + at element',el,'+'
endif
elseif (present(ip)) then ! now having the meaning of "instance"
write(6,'(a15,1x,i9,33x,a1)') ' + for instance',ip,'+'
endif
write(6,'(a)') ' +--------------------------------------------------------+'
flush(6)
call quit(9000_pInt+error_ID)
!$OMP END CRITICAL (write2out)
end subroutine IO_error
!--------------------------------------------------------------------------------------------------
!> @brief writes warning statement to standard out
!--------------------------------------------------------------------------------------------------
subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
implicit none
integer(pInt), intent(in) :: warning_ID
integer(pInt), optional, intent(in) :: el,ip,g
character(len=*), optional, intent(in) :: ext_msg
character(len=1024) :: msg
character(len=1024) :: formatString
select case (warning_ID)
case (1_pInt)
msg = 'unknown key'
case (34_pInt)
msg = 'invalid restart increment given'
case (35_pInt)
msg = 'could not get $DAMASK_NUM_THREADS'
case (40_pInt)
msg = 'found spectral solver parameter'
case (42_pInt)
msg = 'parameter has no effect'
case (43_pInt)
msg = 'main diagonal of C66 close to zero'
case (47_pInt)
msg = 'no valid parameter for FFTW, using FFTW_PATIENT'
case (50_pInt)
msg = 'not all available slip system families are defined'
case (51_pInt)
msg = 'not all available twin system families are defined'
case (52_pInt)
msg = 'not all available parameters are defined'
case (53_pInt)
msg = 'not all available transformation system families are defined'
case (101_pInt)
msg = 'crystallite debugging off'
case (201_pInt)
msg = 'position not found when parsing line'
case (202_pInt)
msg = 'invalid character in string chunk'
case (203_pInt)
msg = 'interpretation of string chunk failed'
case (600_pInt)
msg = 'crystallite responds elastically'
case (601_pInt)
msg = 'stiffness close to zero'
case (650_pInt)
msg = 'polar decomposition failed'
case (700_pInt)
msg = 'unknown crystal symmetry'
case (850_pInt)
msg = 'max number of cut back exceeded, terminating'
case default
msg = 'unknown warning number'
end select
!$OMP CRITICAL (write2out)
write(6,'(/,a)') ' +--------------------------------------------------------+'
write(6,'(a)') ' + warning +'
write(6,'(a,i3,a)') ' + ',warning_ID,' +'
write(6,'(a)') ' + +'
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(msg))),',',&
max(1,60-len(trim(msg))-5),'x,a)'
write(6,formatString) '+ ', trim(msg),'+'
if (present(ext_msg)) then
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(ext_msg))),',',&
max(1,60-len(trim(ext_msg))-5),'x,a)'
write(6,formatString) '+ ', trim(ext_msg),'+'
endif
if (present(el)) then
if (present(ip)) then
if (present(g)) then
write(6,'(a13,1x,i9,1x,a2,1x,i2,1x,a5,1x,i4,18x,a1)') ' + at element',el,'IP',ip,'grain',g,'+'
else
write(6,'(a13,1x,i9,1x,a2,1x,i2,29x,a1)') ' + at element',el,'IP',ip,'+'
endif
else
write(6,'(a13,1x,i9,35x,a1)') ' + at element',el,'+'
endif
endif
write(6,'(a)') ' +--------------------------------------------------------+'
flush(6)
!$OMP END CRITICAL (write2out)
end subroutine IO_warning
!--------------------------------------------------------------------------------------------------
! internal helper functions
!--------------------------------------------------------------------------------------------------
!> @brief returns verified integer value in given string
!--------------------------------------------------------------------------------------------------
integer(pInt) function IO_verifyIntValue (string,validChars,myName)
implicit none
character(len=*), intent(in) :: string, & !< string for conversion to int value. Must not contain spaces!
validChars, & !< valid characters in string
myName !< name of caller function (for debugging)
integer(pInt) :: readStatus, invalidWhere
!character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1
IO_verifyIntValue = 0_pInt
invalidWhere = verify(string,validChars)
if (invalidWhere == 0_pInt) then
read(UNIT=string,iostat=readStatus,FMT=*) IO_verifyIntValue ! no offending chars found
if (readStatus /= 0_pInt) & ! error during string to float conversion
call IO_warning(203_pInt,ext_msg=myName//'"'//string//'"')
else
call IO_warning(202_pInt,ext_msg=myName//'"'//string//'"') ! complain about offending characters
read(UNIT=string(1_pInt:invalidWhere-1_pInt),iostat=readStatus,FMT=*) IO_verifyIntValue ! interpret remaining string
if (readStatus /= 0_pInt) & ! error during string to float conversion
call IO_warning(203_pInt,ext_msg=myName//'"'//string(1_pInt:invalidWhere-1_pInt)//'"')
endif
end function IO_verifyIntValue
!--------------------------------------------------------------------------------------------------
!> @brief returns verified float value in given string
!--------------------------------------------------------------------------------------------------
real(pReal) function IO_verifyFloatValue (string,validChars,myName)
implicit none
character(len=*), intent(in) :: string, & !< string for conversion to int value. Must not contain spaces!
validChars, & !< valid characters in string
myName !< name of caller function (for debugging)
integer(pInt) :: readStatus, invalidWhere
!character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1
IO_verifyFloatValue = 0.0_pReal
invalidWhere = verify(string,validChars)
if (invalidWhere == 0_pInt) then
read(UNIT=string,iostat=readStatus,FMT=*) IO_verifyFloatValue ! no offending chars found
if (readStatus /= 0_pInt) & ! error during string to float conversion
call IO_warning(203_pInt,ext_msg=myName//'"'//string//'"')
else
call IO_warning(202_pInt,ext_msg=myName//'"'//string//'"') ! complain about offending characters
read(UNIT=string(1_pInt:invalidWhere-1_pInt),iostat=readStatus,FMT=*) IO_verifyFloatValue ! interpret remaining string
if (readStatus /= 0_pInt) & ! error during string to float conversion
call IO_warning(203_pInt,ext_msg=myName//'"'//string(1_pInt:invalidWhere-1_pInt)//'"')
endif
end function IO_verifyFloatValue
#ifdef Abaqus
!--------------------------------------------------------------------------------------------------
!> @brief create a new input file for abaqus simulations by removing all comment lines and
!> including "include"s
!--------------------------------------------------------------------------------------------------
recursive function abaqus_assembleInputFile(unit1,unit2) result(createSuccess)
use DAMASK_interface, only: &
getSolverWorkingDirectoryName
implicit none
integer(pInt), intent(in) :: unit1, &
unit2
integer(pInt), allocatable, dimension(:) :: chunkPos
character(len=65536) :: line,fname
logical :: createSuccess,fexist
do
read(unit2,'(A65536)',END=220) line
chunkPos = IO_stringPos(line)
if (IO_lc(IO_StringValue(line,chunkPos,1_pInt))=='*include') then
fname = trim(getSolverWorkingDirectoryName())//trim(line(9+scan(line(9:),'='):))
inquire(file=fname, exist=fexist)
if (.not.(fexist)) then
!$OMP CRITICAL (write2out)
write(6,*)'ERROR: file does not exist error in abaqus_assembleInputFile'
write(6,*)'filename: ', trim(fname)
!$OMP END CRITICAL (write2out)
createSuccess = .false.
return
endif
open(unit2+1,err=200,status='old',file=fname)
if (abaqus_assembleInputFile(unit1,unit2+1_pInt)) then
createSuccess=.true.
close(unit2+1)
else
createSuccess=.false.
return
endif
else if (line(1:2) /= '**' .OR. line(1:8)=='**damask') then
write(unit1,'(A)') trim(line)
endif
enddo
220 createSuccess = .true.
return
200 createSuccess =.false.
end function abaqus_assembleInputFile
#endif
#ifdef HDF
!--------------------------------------------------------------------------------------------------
!> @brief creates and initializes HDF5 output files
!--------------------------------------------------------------------------------------------------
subroutine HDF5_createJobFile
use hdf5
use DAMASK_interface, only: &
getSolverWorkingDirectoryName, &
getSolverJobName
implicit none
integer :: hdferr
integer(SIZE_T) :: typeSize
character(len=1024) :: path
integer(HID_T) :: prp_id
integer(SIZE_T), parameter :: increment = 104857600 ! increase temp file in memory in 100MB steps
!--------------------------------------------------------------------------------------------------
! initialize HDF5 library and check if integer and float type size match
call h5open_f(hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_createJobFile: h5open_f')
call h5tget_size_f(H5T_NATIVE_INTEGER,typeSize, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_createJobFile: h5tget_size_f (int)')
if (int(pInt,SIZE_T)/=typeSize) call IO_error(0_pInt,ext_msg='pInt does not match H5T_NATIVE_INTEGER')
call h5tget_size_f(H5T_NATIVE_DOUBLE,typeSize, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_createJobFile: h5tget_size_f (double)')
if (int(pReal,SIZE_T)/=typeSize) call IO_error(0_pInt,ext_msg='pReal does not match H5T_NATIVE_DOUBLE')
!--------------------------------------------------------------------------------------------------
! open file
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//'DAMASKout'
call h5fcreate_f(path,H5F_ACC_TRUNC_F,resultsFile,hdferr)
if (hdferr < 0) call IO_error(100_pInt,ext_msg=path)
call HDF5_addStringAttribute(resultsFile,'createdBy','$Id$')
!--------------------------------------------------------------------------------------------------
! open temp file
path = trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.'//'DAMASKoutTemp'
call h5pcreate_f(H5P_FILE_ACCESS_F, prp_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_createJobFile: h5pcreate_f')
call h5pset_fapl_core_f(prp_id, increment, .false., hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_createJobFile: h5pset_fapl_core_f')
call h5fcreate_f(path,H5F_ACC_TRUNC_F,tempFile,hdferr)
if (hdferr < 0) call IO_error(100_pInt,ext_msg=path)
!--------------------------------------------------------------------------------------------------
! create mapping groups in out file
call HDF5_closeGroup(HDF5_addGroup("mapping"))
call HDF5_closeGroup(HDF5_addGroup("results"))
call HDF5_closeGroup(HDF5_addGroup("coordinates"))
!--------------------------------------------------------------------------------------------------
! create results group in temp file
tempResults = HDF5_addGroup("results",tempFile)
tempCoordinates = HDF5_addGroup("coordinates",tempFile)
end subroutine HDF5_createJobFile
!--------------------------------------------------------------------------------------------------
!> @brief creates and initializes HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine HDF5_closeJobFile()
use hdf5
implicit none
integer :: hdferr
call h5fclose_f(resultsFile,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_closeJobFile: h5fclose_f')
end subroutine HDF5_closeJobFile
!--------------------------------------------------------------------------------------------------
!> @brief adds a new group to the results file, or if loc is present at the given location
!--------------------------------------------------------------------------------------------------
integer(HID_T) function HDF5_addGroup(path,loc)
use hdf5
implicit none
character(len=*), intent(in) :: path
integer(HID_T), intent(in),optional :: loc
integer :: hdferr
if (present(loc)) then
call h5gcreate_f(loc, trim(path), HDF5_addGroup, hdferr)
else
call h5gcreate_f(resultsFile, trim(path), HDF5_addGroup, hdferr)
endif
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_addGroup: h5gcreate_f ('//trim(path)//' )')
end function HDF5_addGroup
!--------------------------------------------------------------------------------------------------
!> @brief adds a new group to the results file
!--------------------------------------------------------------------------------------------------
integer(HID_T) function HDF5_openGroup(path)
use hdf5
implicit none
character(len=*), intent(in) :: path
integer :: hdferr
call h5gopen_f(resultsFile, trim(path), HDF5_openGroup, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_openGroup: h5gopen_f ('//trim(path)//' )')
end function HDF5_openGroup
!--------------------------------------------------------------------------------------------------
!> @brief closes a group
!--------------------------------------------------------------------------------------------------
subroutine HDF5_closeGroup(ID)
use hdf5
implicit none
integer(HID_T), intent(in) :: ID
integer :: hdferr
call h5gclose_f(ID, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg = 'HDF5_closeGroup: h5gclose_f')
end subroutine HDF5_closeGroup
!--------------------------------------------------------------------------------------------------
!> @brief adds a new group to the results file
!--------------------------------------------------------------------------------------------------
subroutine HDF5_addStringAttribute(entity,attrLabel,attrValue)
use hdf5
implicit none
integer(HID_T), intent(in) :: entity
character(len=*), intent(in) :: attrLabel, attrValue
integer :: hdferr
integer(HID_T) :: attr_id, space_id, type_id
call h5screate_f(H5S_SCALAR_F,space_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute: h5screate_f')
call h5tcopy_f(H5T_NATIVE_CHARACTER, type_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute: h5tcopy_f')
call h5tset_size_f(type_id, int(len(trim(attrValue)),HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute: h5tset_size_f')
call h5acreate_f(entity, trim(attrLabel),type_id,space_id,attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute: h5acreate_f')
call h5awrite_f(attr_id, type_id, trim(attrValue), int([1],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute: h5awrite_f')
call h5aclose_f(attr_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute: h5aclose_f')
call h5sclose_f(space_id,hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_addStringAttribute: h5sclose_f')
end subroutine HDF5_addStringAttribute
!--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results
!--------------------------------------------------------------------------------------------------
subroutine HDF5_mappingConstitutive(mapping)
use hdf5
implicit none
integer(pInt), intent(in), dimension(:,:,:) :: mapping
integer :: hdferr, NmatPoints,Nconstituents
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id,instance_id,position_id
Nconstituents=size(mapping,1)
NmatPoints=size(mapping,2)
mapping_ID = HDF5_openGroup("mapping")
!--------------------------------------------------------------------------------------------------
! create dataspace
call h5screate_simple_f(2, int([Nconstituents,NmatPoints],HSIZE_T), space_id, hdferr, &
int([Nconstituents,NmatPoints],HSIZE_T))
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive')
!--------------------------------------------------------------------------------------------------
! compound type
call h5tcreate_f(H5T_COMPOUND_F, 6_SIZE_T, dtype_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tcreate_f dtype_id')
call h5tinsert_f(dtype_id, "Constitutive Instance", 0_SIZE_T, H5T_STD_U16LE, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tinsert_f 0')
call h5tinsert_f(dtype_id, "Position in Instance Results", 2_SIZE_T, H5T_STD_U32LE, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tinsert_f 2')
!--------------------------------------------------------------------------------------------------
! create Dataset
call h5dcreate_f(mapping_id, "Constitutive", dtype_id, space_id, dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive')
!--------------------------------------------------------------------------------------------------
! Create memory types (one compound datatype for each member)
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), instance_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tcreate_f instance_id')
call h5tinsert_f(instance_id, "Constitutive Instance", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tinsert_f instance_id')
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tcreate_f position_id')
call h5tinsert_f(position_id, "Position in Instance Results", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tinsert_f position_id')
!--------------------------------------------------------------------------------------------------
! write data by fields in the datatype. Fields order is not important.
call h5dwrite_f(dset_id, position_id, mapping(1:Nconstituents,1:NmatPoints,1), &
int([Nconstituents, NmatPoints],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5dwrite_f position_id')
call h5dwrite_f(dset_id, instance_id, mapping(1:Nconstituents,1:NmatPoints,2), &
int([Nconstituents, NmatPoints],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5dwrite_f instance_id')
!--------------------------------------------------------------------------------------------------
!close types, dataspaces
call h5tclose_f(dtype_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tclose_f dtype_id')
call h5tclose_f(position_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tclose_f position_id')
call h5tclose_f(instance_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5tclose_f instance_id')
call h5dclose_f(dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5dclose_f')
call h5sclose_f(space_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5sclose_f')
call HDF5_closeGroup(mapping_ID)
end subroutine HDF5_mappingConstitutive
!--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results
!--------------------------------------------------------------------------------------------------
subroutine HDF5_mappingCrystallite(mapping)
use hdf5
implicit none
integer(pInt), intent(in), dimension(:,:,:) :: mapping
integer :: hdferr, NmatPoints,Nconstituents
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id,instance_id,position_id
Nconstituents=size(mapping,1)
NmatPoints=size(mapping,2)
mapping_ID = HDF5_openGroup("mapping")
!--------------------------------------------------------------------------------------------------
! create dataspace
call h5screate_simple_f(2, int([Nconstituents,NmatPoints],HSIZE_T), space_id, hdferr, &
int([Nconstituents,NmatPoints],HSIZE_T))
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite')
!--------------------------------------------------------------------------------------------------
! compound type
call h5tcreate_f(H5T_COMPOUND_F, 6_SIZE_T, dtype_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tcreate_f dtype_id')
call h5tinsert_f(dtype_id, "Crystallite Instance", 0_SIZE_T, H5T_STD_U16LE, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f 0')
call h5tinsert_f(dtype_id, "Position in Instance Results", 2_SIZE_T, H5T_STD_U32LE, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f 2')
!--------------------------------------------------------------------------------------------------
! create Dataset
call h5dcreate_f(mapping_id, "Crystallite", dtype_id, space_id, dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite')
!--------------------------------------------------------------------------------------------------
! Create memory types (one compound datatype for each member)
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), instance_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tcreate_f instance_id')
call h5tinsert_f(instance_id, "Crystallite Instance", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f instance_id')
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tcreate_f position_id')
call h5tinsert_f(position_id, "Position in Instance Results", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tinsert_f position_id')
!--------------------------------------------------------------------------------------------------
! write data by fields in the datatype. Fields order is not important.
call h5dwrite_f(dset_id, position_id, mapping(1:Nconstituents,1:NmatPoints,1), &
int([Nconstituents, NmatPoints],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dwrite_f position_id')
call h5dwrite_f(dset_id, instance_id, mapping(1:Nconstituents,1:NmatPoints,2), &
int([Nconstituents, NmatPoints],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dwrite_f instance_id')
!--------------------------------------------------------------------------------------------------
!close types, dataspaces
call h5tclose_f(dtype_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f dtype_id')
call h5tclose_f(position_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f position_id')
call h5tclose_f(instance_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5tclose_f instance_id')
call h5dclose_f(dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5dclose_f')
call h5sclose_f(space_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCrystallite: h5sclose_f')
call HDF5_closeGroup(mapping_ID)
end subroutine HDF5_mappingCrystallite
!--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position to results
!--------------------------------------------------------------------------------------------------
subroutine HDF5_mappingHomogenization(mapping)
use hdf5
implicit none
integer(pInt), intent(in), dimension(:,:) :: mapping
integer :: hdferr, NmatPoints
integer(HID_T) :: mapping_id, dtype_id, dset_id, space_id,instance_id,position_id,elem_id,ip_id
NmatPoints=size(mapping,1)
mapping_ID = HDF5_openGroup("mapping")
!--------------------------------------------------------------------------------------------------
! create dataspace
call h5screate_simple_f(1, int([NmatPoints],HSIZE_T), space_id, hdferr, &
int([NmatPoints],HSIZE_T))
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization')
!--------------------------------------------------------------------------------------------------
! compound type
call h5tcreate_f(H5T_COMPOUND_F, 11_SIZE_T, dtype_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tcreate_f dtype_id')
call h5tinsert_f(dtype_id, "Homogenization Instance", 0_SIZE_T, H5T_STD_U16LE, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tinsert_f 0')
call h5tinsert_f(dtype_id, "Position in Instance Results", 2_SIZE_T, H5T_STD_U32LE, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tinsert_f 2')
call h5tinsert_f(dtype_id, "Element Number", 6_SIZE_T, H5T_STD_U32LE, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tinsert_f 6')
call h5tinsert_f(dtype_id, "Material Point Number", 10_SIZE_T, H5T_STD_U8LE, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tinsert_f 10')
!--------------------------------------------------------------------------------------------------
! create Dataset
call h5dcreate_f(mapping_id, "Homogenization", dtype_id, space_id, dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization')
!--------------------------------------------------------------------------------------------------
! Create memory types (one compound datatype for each member)
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), instance_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tcreate_f instance_id')
call h5tinsert_f(instance_id, "Homogenization Instance", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tinsert_f instance_id')
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), position_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tcreate_f position_id')
call h5tinsert_f(position_id, "Position in Instance Results", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tinsert_f position_id')
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), elem_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tcreate_f elem_id')
call h5tinsert_f(elem_id, "Element Number", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tinsert_f elem_id')
call h5tcreate_f(H5T_COMPOUND_F, int(pInt,SIZE_T), ip_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tcreate_f ip_id')
call h5tinsert_f(ip_id, "Material Point Number", 0_SIZE_T, H5T_NATIVE_INTEGER, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tinsert_f ip_id')
!--------------------------------------------------------------------------------------------------
! write data by fields in the datatype. Fields order is not important.
call h5dwrite_f(dset_id, position_id, mapping(1:NmatPoints,1), &
int([NmatPoints],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5dwrite_f position_id')
call h5dwrite_f(dset_id, instance_id, mapping(1:NmatPoints,2), &
int([NmatPoints],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5dwrite_f position_id')
call h5dwrite_f(dset_id, elem_id, mapping(1:NmatPoints,3), &
int([NmatPoints],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5dwrite_f elem_id')
call h5dwrite_f(dset_id, ip_id, mapping(1:NmatPoints,4), &
int([NmatPoints],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5dwrite_f ip_id')
!--------------------------------------------------------------------------------------------------
!close types, dataspaces
call h5tclose_f(dtype_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tclose_f dtype_id')
call h5tclose_f(position_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tclose_f position_id')
call h5tclose_f(instance_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tclose_f instance_id')
call h5tclose_f(ip_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tclose_f ip_id')
call h5tclose_f(elem_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5tclose_f elem_id')
call h5dclose_f(dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5dclose_f')
call h5sclose_f(space_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingHomogenization: h5sclose_f')
call HDF5_closeGroup(mapping_ID)
end subroutine HDF5_mappingHomogenization
!--------------------------------------------------------------------------------------------------
!> @brief adds the unique cell to node mapping
!--------------------------------------------------------------------------------------------------
subroutine HDF5_mappingCells(mapping)
use hdf5
implicit none
integer(pInt), intent(in), dimension(:) :: mapping
integer :: hdferr, Nnodes
integer(HID_T) :: mapping_id, dset_id, space_id
Nnodes=size(mapping)
mapping_ID = HDF5_openGroup("mapping")
!--------------------------------------------------------------------------------------------------
! create dataspace
call h5screate_simple_f(1, int([Nnodes],HSIZE_T), space_id, hdferr, &
int([Nnodes],HSIZE_T))
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells: h5screate_simple_f')
!--------------------------------------------------------------------------------------------------
! create Dataset
call h5dcreate_f(mapping_id, "Cell",H5T_NATIVE_INTEGER, space_id, dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells')
!--------------------------------------------------------------------------------------------------
! write data by fields in the datatype. Fields order is not important.
call h5dwrite_f(dset_id, H5T_NATIVE_INTEGER, mapping, int([Nnodes],HSIZE_T), hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingCells: h5dwrite_f instance_id')
!--------------------------------------------------------------------------------------------------
!close types, dataspaces
call h5dclose_f(dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5dclose_f')
call h5sclose_f(space_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='IO_mappingConstitutive: h5sclose_f')
call HDF5_closeGroup(mapping_ID)
end subroutine HDF5_mappingCells
!--------------------------------------------------------------------------------------------------
!> @brief creates a new scalar dataset in the given group location
!--------------------------------------------------------------------------------------------------
subroutine HDF5_addScalarDataset(group,nnodes,label,SIunit)
use hdf5
implicit none
integer(HID_T), intent(in) :: group
integer(pInt), intent(in) :: nnodes
character(len=*), intent(in) :: SIunit,label
integer :: hdferr
integer(HID_T) :: dset_id, space_id
!--------------------------------------------------------------------------------------------------
! create dataspace
call h5screate_simple_f(1, int([Nnodes],HSIZE_T), space_id, hdferr, &
int([Nnodes],HSIZE_T))
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addScalarDataset: h5screate_simple_f')
!--------------------------------------------------------------------------------------------------
! create Dataset
call h5dcreate_f(group, trim(label),H5T_NATIVE_DOUBLE, space_id, dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addScalarDataset: h5dcreate_f')
call HDF5_addStringAttribute(dset_id,'unit',trim(SIunit))
!--------------------------------------------------------------------------------------------------
!close types, dataspaces
call h5dclose_f(dset_id, hdferr)
if (hdferr < 0) call IO_error(1_pInt,ext_msg='HDF5_addScalarDataset: h5dclose_f')
call h5sclose_f(space_id, hdferr)
end subroutine HDF5_addScalarDataset
!--------------------------------------------------------------------------------------------------
!> @brief returns nicely formatted string of integer value
!--------------------------------------------------------------------------------------------------
function IO_formatIntToString(myInt)
implicit none
integer(pInt), intent(in) :: myInt
character(len=1_pInt + int(log10(real(myInt)),pInt)) :: IO_formatIntToString
write(IO_formatIntToString,'('//IO_intOut(myInt)//')') myInt
end function
!--------------------------------------------------------------------------------------------------
!> @brief copies the current temp results to the actual results file
!--------------------------------------------------------------------------------------------------
subroutine HDF5_forwardResults
use hdf5
implicit none
integer :: hdferr
integer(HID_T) :: new_loc_id
new_loc_id = HDF5_openGroup("results")
currentInc = currentInc + 1_pInt
call h5ocopy_f(tempFile, 'results', new_loc_id,dst_name=IO_formatIntToString(currentInc), hdferr=hdferr)
if (hdferr < 0_pInt) call IO_error(1_pInt,ext_msg='HDF5_forwardResults: h5ocopy_f')
call HDF5_closeGroup(new_loc_id)
end subroutine HDF5_forwardResults
#endif
end module IO
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