!-------------------------------------------------------------------------------------------------- ! $Id$ !-------------------------------------------------------------------------------------------------- !> @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, & hybridIA_reps #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 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,'(a)') ' $Id$' 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), parameter :: MAXNCHUNKS = 1_pInt integer(pInt), dimension(1+2*MAXNCHUNKS) :: myPos character(len=65536) :: line IO_abaqus_hasNoPart = .true. 610 FORMAT(A65536) rewind(fileUnit) do read(fileUnit,610,END=620) line myPos = IO_stringPos(line,MAXNCHUNKS) if (IO_lc(IO_stringValue(line,myPos,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), dimension(1_pInt + 7_pInt*2_pInt) :: positions 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) positions = IO_stringPos(line,7_pInt) keyword = IO_lc(IO_StringValue(line,positions,2_pInt,.true.)) if (keyword(1:4) == 'head') then headerLength = IO_intValue(line,positions,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 positions = IO_stringPos(line,7_pInt) do i = 1_pInt, positions(1) select case ( IO_lc(IO_StringValue(line,positions,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) = 720.0_pReal limits(2,1:3) = 0.0_pReal steps = 0_pInt line=IO_read(FILEUNIT) do while (trim(line) /= IO_EOF) positions = IO_stringPos(line,7_pInt) eulers=[IO_floatValue(line,positions,columns(1)),& IO_floatValue(line,positions,columns(2)),& IO_floatValue(line,positions,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 limits = limits*INRAD deltas = deltas*INRAD 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 !-------------------------------------------------------------------------------------------------- ! 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) positions = IO_stringPos(line,7_pInt) eulers=[IO_floatValue(line,positions,columns(1)),& ! read in again for consistency check only IO_floatValue(line,positions,columns(2)),& IO_floatValue(line,positions,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) call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order') prob = IO_floatValue(line,positions,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 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 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 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), parameter :: MAXNCHUNKS = 1_pInt integer(pInt), dimension(Nsections) :: counter integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions 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 positions = IO_stringPos(line,MAXNCHUNKS) if (tag == trim(IO_lc(IO_stringValue(line,positions,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 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), parameter :: MAXNCHUNKS = 1_pInt integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions 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 positions = IO_stringPos(line,MAXNCHUNKS) if (tag == trim(IO_lc(IO_stringValue(line,positions,1_pInt)))) & ! matsch ! match IO_spotTagInPart(section) = .true. endif enddo end function IO_spotTagInPart !-------------------------------------------------------------------------------------------------- !> @brief return logical whether tag is present within 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), parameter :: MAXNCHUNKS = 1_pInt integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions 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 positions = IO_stringPos(line,MAXNCHUNKS) if (tag == trim(IO_lc(IO_stringValue(line,positions,1_pInt)))) & ! match IO_globalTagInPart = .true. endif enddo end function IO_globalTagInPart !-------------------------------------------------------------------------------------------------- !> @brief locates at most N space-separated parts in string and returns array containing number of !! parts in string and the left/right positions of at most N to be used by IO_xxxVal !! IMPORTANT: first element contains number of chunks! !-------------------------------------------------------------------------------------------------- pure function IO_stringPos(string,N) implicit none integer(pInt), intent(in) :: N !< maximum number of parts integer(pInt), dimension(1_pInt+N*2_pInt) :: IO_stringPos character(len=*), intent(in) :: string !< string in which parts 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) IO_stringPos = -1_pInt IO_stringPos(1) = 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) == '#' ) then exit endif if ( IO_stringPos(1) @brief reads string value at myPos from string !-------------------------------------------------------------------------------------------------- function IO_stringValue(string,positions,myPos,silent) implicit none integer(pInt), dimension(:), intent(in) :: positions !< positions of tags in string integer(pInt), intent(in) :: myPos !< position of desired sub string character(len=1+positions(myPos*2+1)-positions(myPos*2)) :: IO_stringValue character(len=*), intent(in) :: string !< raw input with known positions 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 = '' if (myPos > positions(1) .or. myPos < 1_pInt) then ! trying to access non-present value if (warn) call IO_warning(201,el=myPos,ext_msg=MYNAME//trim(string)) else IO_stringValue = string(positions(myPos*2):positions(myPos*2+1)) endif end function IO_stringValue !-------------------------------------------------------------------------------------------------- !> @brief reads string value at myPos from fixed format string !-------------------------------------------------------------------------------------------------- pure function IO_fixedStringValue (string,ends,myPos) implicit none integer(pInt), intent(in) :: myPos !< position of desired sub string integer(pInt), dimension(:), intent(in) :: ends !< positions of ends in string character(len=ends(myPos+1)-ends(myPos)) :: IO_fixedStringValue character(len=*), intent(in) :: string !< raw input with known ends IO_fixedStringValue = string(ends(myPos)+1:ends(myPos+1)) end function IO_fixedStringValue !-------------------------------------------------------------------------------------------------- !> @brief reads float value at myPos from string !-------------------------------------------------------------------------------------------------- real(pReal) function IO_floatValue (string,positions,myPos) implicit none integer(pInt), dimension(:), intent(in) :: positions !< positions of tags in string integer(pInt), intent(in) :: myPos !< position of desired sub string character(len=*), intent(in) :: string !< raw input with known positions character(len=15), parameter :: MYNAME = 'IO_floatValue: ' character(len=17), parameter :: VALIDCHARACTERS = '0123456789eEdD.+-' IO_floatValue = 0.0_pReal if (myPos > positions(1) .or. myPos < 1_pInt) then ! trying to access non-present value call IO_warning(201,el=myPos,ext_msg=MYNAME//trim(string)) else IO_floatValue = & IO_verifyFloatValue(trim(adjustl(string(positions(myPos*2):positions(myPos*2+1)))),& VALIDCHARACTERS,MYNAME) endif end function IO_floatValue !-------------------------------------------------------------------------------------------------- !> @brief reads float value at myPos from fixed format string !-------------------------------------------------------------------------------------------------- real(pReal) function IO_fixedFloatValue (string,ends,myPos) implicit none character(len=*), intent(in) :: string !< raw input with known ends integer(pInt), intent(in) :: myPos !< position of desired sub string integer(pInt), dimension(:), intent(in) :: ends !< positions of ends in string character(len=20), parameter :: MYNAME = 'IO_fixedFloatValue: ' character(len=17), parameter :: VALIDCHARACTERS = '0123456789eEdD.+-' IO_fixedFloatValue = & IO_verifyFloatValue(trim(adjustl(string(ends(myPos)+1_pInt:ends(myPos+1_pInt)))),& VALIDCHARACTERS,MYNAME) end function IO_fixedFloatValue !-------------------------------------------------------------------------------------------------- !> @brief reads float x.y+z value at myPos from format string !-------------------------------------------------------------------------------------------------- real(pReal) function IO_fixedNoEFloatValue (string,ends,myPos) implicit none character(len=*), intent(in) :: string !< raw input with known ends integer(pInt), intent(in) :: myPos !< position of desired sub string integer(pInt), dimension(:), intent(in) :: ends !< positions of ends in 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(myPos)+1:ends(myPos+1)),'+-',back=.true.) if (pos_exp > 1) then base = IO_verifyFloatValue(trim(adjustl(string(ends(myPos)+1_pInt:ends(myPos)+pos_exp-1_pInt))),& VALIDBASE,MYNAME//'(base): ') expon = IO_verifyIntValue(trim(adjustl(string(ends(myPos)+pos_exp:ends(myPos+1_pInt)))),& VALIDEXP,MYNAME//'(exp): ') else base = IO_verifyFloatValue(trim(adjustl(string(ends(myPos)+1_pInt:ends(myPos+1_pInt)))),& VALIDBASE,MYNAME//'(base): ') expon = 0_pInt endif IO_fixedNoEFloatValue = base*10.0_pReal**real(expon,pReal) end function IO_fixedNoEFloatValue !-------------------------------------------------------------------------------------------------- !> @brief reads integer value at myPos from string !-------------------------------------------------------------------------------------------------- integer(pInt) function IO_intValue(string,ends,myPos) implicit none character(len=*), intent(in) :: string !< raw input with known ends integer(pInt), intent(in) :: myPos !< position of desired sub string integer(pInt), dimension(:), intent(in) :: ends !< positions of ends in string character(len=13), parameter :: MYNAME = 'IO_intValue: ' character(len=12), parameter :: VALIDCHARACTERS = '0123456789+-' IO_intValue = 0_pInt if (myPos > ends(1) .or. myPos < 1_pInt) then ! trying to access non-present value call IO_warning(201,el=myPos,ext_msg=MYNAME//trim(string)) else IO_intValue = IO_verifyIntValue(trim(adjustl(string(ends(myPos*2):ends(myPos*2+1)))),& VALIDCHARACTERS,MYNAME) endif end function IO_intValue !-------------------------------------------------------------------------------------------------- !> @brief reads integer value at myPos from fixed format string !-------------------------------------------------------------------------------------------------- integer(pInt) function IO_fixedIntValue(string,ends,myPos) implicit none character(len=*), intent(in) :: string !< raw input with known ends integer(pInt), intent(in) :: myPos !< position of desired sub string integer(pInt), dimension(:), intent(in) :: ends !< positions of ends in string character(len=20), parameter :: MYNAME = 'IO_fixedIntValue: ' character(len=12), parameter :: VALIDCHARACTERS = '0123456789+-' IO_fixedIntValue = IO_verifyIntValue(trim(adjustl(string(ends(myPos)+1_pInt:ends(myPos+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), parameter :: MAXNCHUNKS = 64_pInt integer(pInt) :: remainingChunks integer(pInt), dimension(1+2*MAXNCHUNKS) :: myPos character(len=65536) :: line line = '' remainingChunks = N do while (trim(line) /= IO_EOF .and. remainingChunks > 0) line = IO_read(fileUnit) myPos = IO_stringPos(line,MAXNCHUNKS) remainingChunks = remainingChunks - myPos(1) 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 :: myPos ! no pInt (scan returns default integer) IO_extractValue = '' myPos = scan(pair,SEP) if (myPos > 0 .and. pair(:myPos-1) == key(:myPos-1)) & ! key matches expected key IO_extractValue = pair(myPos+1:) ! extract value 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), parameter :: MAXNCHUNKS = 1_pInt integer(pInt), dimension(1+2*MAXNCHUNKS) :: myPos character(len=65536) :: line, & tmp IO_countDataLines = 0_pInt line = '' do while (trim(line) /= IO_EOF) line = IO_read(fileUnit) myPos = IO_stringPos(line,MAXNCHUNKS) tmp = IO_lc(IO_stringValue(line,myPos,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 integer(pInt), parameter :: MAXNCHUNKS = 8192_pInt #ifdef Abaqus integer(pInt) :: l,c #endif integer(pInt), dimension(1+2*MAXNCHUNKS) :: myPos character(len=65536) :: line IO_countContinuousIntValues = 0_pInt line = '' #ifndef Abaqus do while (trim(line) /= IO_EOF) line = IO_read(fileUnit) myPos = IO_stringPos(line,MAXNCHUNKS) if (myPos(1) < 1_pInt) then ! empty line line = IO_read(fileUnit, .true.) ! reset IO_read exit elseif (IO_lc(IO_stringValue(line,myPos,2_pInt)) == 'to' ) then ! found range indicator IO_countContinuousIntValues = 1_pInt + IO_intValue(line,myPos,3_pInt) & - IO_intValue(line,myPos,1_pInt) line = IO_read(fileUnit, .true.) ! reset IO_read exit ! only one single range indicator allowed else if (IO_lc(IO_stringValue(line,myPos,2_pInt)) == 'of' ) then ! found multiple entries indicator IO_countContinuousIntValues = IO_intValue(line,myPos,1_pInt) line = IO_read(fileUnit, .true.) ! reset IO_read exit ! only one single multiplier allowed else IO_countContinuousIntValues = IO_countContinuousIntValues+myPos(1)-1_pInt ! add line's count when assuming 'c' if ( IO_lc(IO_stringValue(line,myPos,myPos(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) myPos = IO_stringPos(line,MAXNCHUNKS) IO_countContinuousIntValues = IO_countContinuousIntValues + 1_pInt + & ! assuming range generation (IO_intValue(line,myPos,2_pInt)-IO_intValue(line,myPos,1_pInt))/& max(1_pInt,IO_intValue(line,myPos,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), parameter :: MAXNCHUNKS = 8192_pInt integer(pInt) :: i #ifdef Abaqus integer(pInt) :: j,l,c,first,last #endif integer(pInt), dimension(1+2*MAXNCHUNKS) :: myPos character(len=65536) line logical rangeGeneration IO_continuousIntValues = 0_pInt rangeGeneration = .false. #ifndef Abaqus do read(fileUnit,'(A65536)',end=100) line myPos = IO_stringPos(line,MAXNCHUNKS) if (myPos(1) < 1_pInt) then ! empty line exit elseif (verify(IO_stringValue(line,myPos,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,myPos,1_pInt) == lookupName(i)) then ! found matching name IO_continuousIntValues = lookupMap(:,i) ! return resp. entity list exit endif enddo exit else if (myPos(1) > 2_pInt .and. IO_lc(IO_stringValue(line,myPos,2_pInt)) == 'to' ) then ! found range indicator do i = IO_intValue(line,myPos,1_pInt),IO_intValue(line,myPos,3_pInt) IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt IO_continuousIntValues(1+IO_continuousIntValues(1)) = i enddo exit else if (myPos(1) > 2_pInt .and. IO_lc(IO_stringValue(line,myPos,2_pInt)) == 'of' ) then ! found multiple entries indicator IO_continuousIntValues(1) = IO_intValue(line,myPos,1_pInt) IO_continuousIntValues(2:IO_continuousIntValues(1)+1) = IO_intValue(line,myPos,3_pInt) exit else do i = 1_pInt,myPos(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,myPos,i) enddo if ( IO_lc(IO_stringValue(line,myPos,myPos(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,myPos,myPos(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 myPos = IO_stringPos(line,MAXNCHUNKS) do i = 1_pInt,myPos(1) if (IO_lc(IO_stringValue(line,myPos,i)) == 'generate') rangeGeneration = .true. enddo do l = 1_pInt,c read(fileUnit,'(A65536)',end=100) line myPos = IO_stringPos(line,MAXNCHUNKS) if (verify(IO_stringValue(line,myPos,1_pInt),'0123456789') > 0) then ! a non-int, i.e. set names follow on this line do i = 1_pInt,myPos(1) ! loop over set names in line do j = 1_pInt,lookupMaxN ! look thru known set names if (IO_stringValue(line,myPos,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,myPos,1_pInt),IO_intValue(line,myPos,2_pInt),max(1_pInt,IO_intValue(line,myPos,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,myPos(1) IO_continuousIntValues(1) = IO_continuousIntValues(1) + 1_pInt IO_continuousIntValues(1+IO_continuousIntValues(1)) = IO_intValue(line,myPos,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=16) :: N_Digits character(len=34) :: IO_intOut integer(pInt), intent(in) :: intToPrint write(N_Digits, '(I16.16)') 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 (135_pInt) msg = 'zero entry on stiffness diagonal' !-------------------------------------------------------------------------------------------------- ! 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 = 'Dimension in nearest neighbor search wrong' case (408_pInt) msg = 'Polar decomposition error' case (409_pInt) msg = 'math_check: R*v == q*v failed' case (450_pInt) msg = 'unknown symmetry type specified' case (460_pInt) msg = 'kdtree2 error' !------------------------------------------------------------------------------------------------- ! 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 (831_pInt) msg = 'mask consistency violated in spectral loadcase' case (832_pInt) msg = 'ill-defined L (line party P) 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' !------------------------------------------------------------------------------------------------- ! 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,ext_msg=myName//'"'//string//'"') else call IO_warning(202,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,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,ext_msg=myName//'"'//string//'"') else call IO_warning(202,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,ext_msg=myName//'"'//string(1_pInt:invalidWhere-1_pInt)//'"') endif end function IO_verifyFloatValue !-------------------------------------------------------------------------------------------------- !> @brief counts hybrid IA repetitions !-------------------------------------------------------------------------------------------------- integer(pInt) pure function hybridIA_reps(dV_V,steps,C) implicit none integer(pInt), intent(in), dimension(3) :: steps !< needs description 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 #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), parameter :: MAXNCHUNKS = 6_pInt integer(pInt), dimension(1+2*MAXNCHUNKS) :: positions character(len=65536) :: line,fname logical :: createSuccess,fexist do read(unit2,'(A65536)',END=220) line positions = IO_stringPos(line,MAXNCHUNKS) if (IO_lc(IO_StringValue(line,positions,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