517 lines
24 KiB
Fortran
517 lines
24 KiB
Fortran
!--------------------------------------------------------------------------------------------------
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!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
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!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
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!> @brief Interfacing between the spectral solver and the material subroutines provided
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!! by DAMASK
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!> @details Interfacing between the spectral solver and the material subroutines provided
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!> by DAMASK. Interpretating the command line arguments or, in case of called from f2py,
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!> the arguments parsed to the init routine to get load case, geometry file, working
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!> directory, etc.
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!--------------------------------------------------------------------------------------------------
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module DAMASK_interface
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use prec, only: &
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pInt
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implicit none
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private
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#include <petsc/finclude/petscsys.h>
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logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
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integer(pInt), public, protected :: spectralRestartInc = 1_pInt !< Increment at which calculation starts
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character(len=1024), public, protected :: &
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geometryFile = '', & !< parameter given for geometry file
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loadCaseFile = '' !< parameter given for load case file
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character(len=1024), private :: workingDirectory !< accessed by getSolverWorkingDirectoryName for compatibility reasons
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character, private,parameter :: pathSep = '/'
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public :: &
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getSolverWorkingDirectoryName, &
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getSolverJobName, &
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DAMASK_interface_init
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private :: &
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storeWorkingDirectory, &
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getGeometryFile, &
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getLoadCaseFile, &
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rectifyPath, &
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makeRelativePath, &
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IIO_stringValue, &
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IIO_intValue, &
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IIO_lc, &
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IIO_stringPos
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contains
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!--------------------------------------------------------------------------------------------------
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!> @brief initializes the solver by interpreting the command line arguments. Also writes
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!! information on computation to screen
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!--------------------------------------------------------------------------------------------------
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subroutine DAMASK_interface_init()
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use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
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use system_routines, only: &
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getHostName
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implicit none
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character(len=1024) :: &
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commandLine, & !< command line call as string
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loadCaseArg ='', & !< -l argument given to DAMASK_spectral.exe
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geometryArg ='', & !< -g argument given to DAMASK_spectral.exe
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workingDirArg ='', & !< -w argument given to DAMASK_spectral.exe
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hostName, & !< name of machine on which DAMASK_spectral.exe is execute (might require export HOSTNAME)
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userName, & !< name of user calling DAMASK_spectral.exe
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tag
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integer :: &
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i, &
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threadLevel, &
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worldrank = 0, &
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worldsize = 0
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integer, allocatable, dimension(:) :: &
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chunkPos
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integer, dimension(8) :: &
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dateAndTime ! type default integer
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PetscErrorCode :: ierr
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logical :: error
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external :: &
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quit,&
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MPI_Comm_rank,&
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MPI_Comm_size,&
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PETScInitialize, &
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MPI_Init_Thread, &
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MPI_abort
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open(6, encoding='UTF-8') ! for special characters in output
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!--------------------------------------------------------------------------------------------------
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! PETSc Init
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#ifdef _OPENMP
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call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,ierr);CHKERRQ(ierr) ! in case of OpenMP, don't rely on PETScInitialize doing MPI init
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if (threadLevel<MPI_THREAD_FUNNELED) then
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write(6,'(a)') ' MPI library does not support OpenMP'
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call quit(1_pInt)
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endif
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#endif
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call PetscInitialize(PETSC_NULL_CHARACTER,ierr) ! according to PETSc manual, that should be the first line in the code
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CHKERRQ(ierr) ! this is a macro definition, it is case sensitive
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call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
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call MPI_Comm_size(MPI_COMM_WORLD, worldsize, ierr);CHKERRQ(ierr)
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mainProcess: if (worldrank == 0) then
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if (output_unit /= 6) then
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write(output_unit,'(a)') ' STDOUT != 6'
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call quit(1_pInt)
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endif
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else mainProcess
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close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
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open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
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endif mainProcess
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call date_and_time(values = dateAndTime)
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write(6,'(/,a)') ' <<<+- DAMASK_spectral -+>>>'
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write(6,'(/,a)') ' Version: '//DAMASKVERSION
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write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
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dateAndTime(2),'/',&
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dateAndTime(1)
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write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':',&
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dateAndTime(6),':',&
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dateAndTime(7)
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write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
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write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
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#include "compilation_info.f90"
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call get_command(commandLine)
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chunkPos = IIO_stringPos(commandLine)
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do i = 1, chunkPos(1)
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tag = IIO_lc(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
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select case(tag)
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case ('-h','--help')
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write(6,'(a)') ' #######################################################################'
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write(6,'(a)') ' DAMASK_spectral:'
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write(6,'(a)') ' The spectral method boundary value problem solver for'
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write(6,'(a)') ' the Düsseldorf Advanced Material Simulation Kit'
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write(6,'(a,/)')' #######################################################################'
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write(6,'(a,/)')' Valid command line switches:'
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write(6,'(a)') ' --geom (-g, --geometry)'
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write(6,'(a)') ' --load (-l, --loadcase)'
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write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)'
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write(6,'(a)') ' --restart (-r, --rs)'
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write(6,'(a)') ' --help (-h)'
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write(6,'(/,a)')' -----------------------------------------------------------------------'
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write(6,'(a)') ' Mandatory arguments:'
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write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom'
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write(6,'(a)') ' Specifies the location of the geometry definition file,'
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write(6,'(a)') ' if no extension is given, .geom will be appended.'
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write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified'
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write(6,'(a)') ' via --workingdir.'
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write(6,'(a)') ' Make sure the file "material.config" exists in the working'
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write(6,'(a)') ' directory.'
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write(6,'(a)') ' For further configuration place "numerics.config"'
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write(6,'(a)')' and "numerics.config" in that directory.'
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write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load'
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write(6,'(a)') ' Specifies the location of the load case definition file,'
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write(6,'(a)') ' if no extension is given, .load will be appended.'
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write(6,'(/,a)')' -----------------------------------------------------------------------'
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write(6,'(a)') ' Optional arguments:'
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write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
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write(6,'(a)') ' Specifies the working directory and overwrites the default'
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write(6,'(a)') ' "PathToGeomFile".'
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write(6,'(a)') ' Make sure the file "material.config" exists in the working'
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write(6,'(a)') ' directory.'
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write(6,'(a)') ' For further configuration place "numerics.config"'
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write(6,'(a)')' and "debug.config" in that directory.'
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write(6,'(/,a)')' --restart XX'
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write(6,'(a)') ' Reads in total increment No. XX-1 and continues to'
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write(6,'(a)') ' calculate total increment No. XX.'
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write(6,'(a)') ' Appends to existing results file '
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write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".'
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write(6,'(a)') ' Works only if the restart information for total increment'
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write(6,'(a)') ' No. XX-1 is available in the working directory.'
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write(6,'(/,a)')' -----------------------------------------------------------------------'
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write(6,'(a)') ' Help:'
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write(6,'(/,a)')' --help'
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write(6,'(a,/)')' Prints this message and exits'
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call quit(0_pInt) ! normal Termination
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case ('-l', '--load', '--loadcase')
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loadcaseArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
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case ('-g', '--geom', '--geometry')
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geometryArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
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case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory')
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workingDirArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
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case ('-r', '--rs', '--restart')
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spectralRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
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appendToOutFile = .true.
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end select
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enddo
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if (len(trim(loadcaseArg)) == 0 .or. len(trim(geometryArg)) == 0) then
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write(6,'(a)') ' Please specify geometry AND load case (-h for help)'
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call quit(1_pInt)
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endif
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workingDirectory = trim(storeWorkingDirectory(trim(workingDirArg),trim(geometryArg)))
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geometryFile = getGeometryFile(geometryArg)
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loadCaseFile = getLoadCaseFile(loadCaseArg)
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call get_environment_variable('USER',userName)
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error = getHostName(hostName)
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write(6,'(a,a)') ' Host name: ', trim(hostName)
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write(6,'(a,a)') ' User name: ', trim(userName)
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write(6,'(a,a)') ' Path separator: ', pathSep
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write(6,'(a,a)') ' Command line call: ', trim(commandLine)
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if (len(trim(workingDirArg))>0) &
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write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
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write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
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write(6,'(a,a)') ' Loadcase argument: ', trim(loadcaseArg)
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write(6,'(a,a)') ' Working directory: ', trim(getSolverWorkingDirectoryName())
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write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
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write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
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write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
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if (SpectralRestartInc > 1_pInt) &
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write(6,'(a,i6.6)') ' Restart at increment: ', spectralRestartInc
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write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile
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end subroutine DAMASK_interface_init
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!--------------------------------------------------------------------------------------------------
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!> @brief extract working directory from given argument or from location of geometry file,
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!! possibly converting relative arguments to absolut path
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!> @todo change working directory with call chdir(storeWorkingDirectory)?
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryArg)
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use system_routines, only: &
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isDirectory, &
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getCWD
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implicit none
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character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
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character(len=*), intent(in) :: geometryArg !< geometry argument
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character(len=1024) :: cwd
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logical :: error
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external :: quit
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wdGiven: if (len(workingDirectoryArg)>0) then
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absolutePath: if (workingDirectoryArg(1:1) == pathSep) then
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storeWorkingDirectory = workingDirectoryArg
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else absolutePath
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error = getCWD(cwd)
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if (error) call quit(1_pInt)
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storeWorkingDirectory = trim(cwd)//pathSep//workingDirectoryArg
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endif absolutePath
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if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) /= pathSep) &
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storeWorkingDirectory = trim(storeWorkingDirectory)//pathSep ! if path seperator is not given, append it
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else wdGiven
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if (geometryArg(1:1) == pathSep) then ! absolute path given as command line argument
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storeWorkingDirectory = geometryArg(1:scan(geometryArg,pathSep,back=.true.))
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else
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error = getCWD(cwd) ! relative path given as command line argument
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if (error) call quit(1_pInt)
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storeWorkingDirectory = trim(cwd)//pathSep//geometryArg(1:scan(geometryArg,pathSep,back=.true.))
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endif
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endif wdGiven
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storeWorkingDirectory = trim(rectifyPath(storeWorkingDirectory))
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if(.not. isDirectory(trim(storeWorkingDirectory))) then ! check if the directory exists
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write(6,'(a20,a,a16)') ' working directory "',trim(storeWorkingDirectory),'" does not exist'
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call quit(1_pInt)
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endif
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end function storeWorkingDirectory
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!--------------------------------------------------------------------------------------------------
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!> @brief simply returns the private string workingDir
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getSolverWorkingDirectoryName()
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implicit none
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getSolverWorkingDirectoryName = workingDirectory
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end function getSolverWorkingDirectoryName
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!--------------------------------------------------------------------------------------------------
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!> @brief solver job name (no extension) as combination of geometry and load case name
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getSolverJobName()
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implicit none
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integer :: posExt,posSep
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character(len=1024) :: tempString
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tempString = geometryFile
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posExt = scan(tempString,'.',back=.true.)
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posSep = scan(tempString,pathSep,back=.true.)
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getSolverJobName = tempString(posSep+1:posExt-1)
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tempString = loadCaseFile
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posExt = scan(tempString,'.',back=.true.)
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posSep = scan(tempString,pathSep,back=.true.)
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getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1)
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end function getSolverJobName
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!--------------------------------------------------------------------------------------------------
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!> @brief basename of geometry file with extension from command line arguments
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getGeometryFile(geometryParameter)
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use system_routines, only: &
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getCWD
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implicit none
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character(len=1024), intent(in) :: &
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geometryParameter
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character(len=1024) :: &
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cwd
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integer :: posExt, posSep
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logical :: error
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external :: quit
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getGeometryFile = geometryParameter
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posExt = scan(getGeometryFile,'.',back=.true.)
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posSep = scan(getGeometryFile,pathSep,back=.true.)
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if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom') ! no extension present
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if (scan(getGeometryFile,pathSep) /= 1) then ! relative path given as command line argument
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error = getcwd(cwd)
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if (error) call quit(1_pInt)
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getGeometryFile = rectifyPath(trim(cwd)//pathSep//getGeometryFile)
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else
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getGeometryFile = rectifyPath(getGeometryFile)
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endif
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getGeometryFile = makeRelativePath(getSolverWorkingDirectoryName(), getGeometryFile)
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end function getGeometryFile
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!--------------------------------------------------------------------------------------------------
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!> @brief relative path of loadcase from command line arguments
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getLoadCaseFile(loadCaseParameter)
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use system_routines, only: &
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getCWD
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implicit none
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character(len=1024), intent(in) :: &
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loadCaseParameter
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character(len=1024) :: &
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cwd
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integer :: posExt, posSep
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logical :: error
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external :: quit
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getLoadCaseFile = loadcaseParameter
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posExt = scan(getLoadCaseFile,'.',back=.true.)
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posSep = scan(getLoadCaseFile,pathSep,back=.true.)
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if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load') ! no extension present
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if (scan(getLoadCaseFile,pathSep) /= 1) then ! relative path given as command line argument
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error = getcwd(cwd)
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if (error) call quit(1_pInt)
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getLoadCaseFile = rectifyPath(trim(cwd)//pathSep//getLoadCaseFile)
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else
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getLoadCaseFile = rectifyPath(getLoadCaseFile)
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endif
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getLoadCaseFile = makeRelativePath(getSolverWorkingDirectoryName(), getLoadCaseFile)
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end function getLoadCaseFile
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!--------------------------------------------------------------------------------------------------
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!> @brief remove ../ and /./ from path
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!--------------------------------------------------------------------------------------------------
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function rectifyPath(path)
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implicit none
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character(len=*) :: path
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character(len=len_trim(path)) :: rectifyPath
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integer :: i,j,k,l ! no pInt
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!--------------------------------------------------------------------------------------------------
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! remove /./ from path
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l = len_trim(path)
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rectifyPath = path
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do i = l,3,-1
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if (rectifyPath(i-2:i) == pathSep//'.'//pathSep) &
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rectifyPath(i-1:l) = rectifyPath(i+1:l)//' '
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enddo
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!--------------------------------------------------------------------------------------------------
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! remove ../ and corresponding directory from rectifyPath
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l = len_trim(rectifyPath)
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i = index(rectifyPath(i:l),'..'//pathSep)
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j = 0
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do while (i > j)
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j = scan(rectifyPath(1:i-2),pathSep,back=.true.)
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rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j)
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if (rectifyPath(j+1:j+1) == pathSep) then !search for '//' that appear in case of XXX/../../XXX
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k = len_trim(rectifyPath)
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rectifyPath(j+1:k-1) = rectifyPath(j+2:k)
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rectifyPath(k:k) = ' '
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endif
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i = j+index(rectifyPath(j+1:l),'..'//pathSep)
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enddo
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if(len_trim(rectifyPath) == 0) rectifyPath = pathSep
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end function rectifyPath
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!--------------------------------------------------------------------------------------------------
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!> @brief relative path from absolute a to absolute b
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function makeRelativePath(a,b)
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implicit none
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character (len=*) :: a,b
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integer :: i,posLastCommonSlash,remainingSlashes !no pInt
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posLastCommonSlash = 0
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remainingSlashes = 0
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do i = 1, min(1024,len_trim(a),len_trim(b))
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if (a(i:i) /= b(i:i)) exit
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if (a(i:i) == pathSep) posLastCommonSlash = i
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enddo
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do i = posLastCommonSlash+1,len_trim(a)
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if (a(i:i) == pathSep) remainingSlashes = remainingSlashes + 1
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enddo
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makeRelativePath = repeat('..'//pathSep,remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
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end function makeRelativePath
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!--------------------------------------------------------------------------------------------------
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!> @brief taken from IO, check IO_stringValue for documentation
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!--------------------------------------------------------------------------------------------------
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pure function IIO_stringValue(string,chunkPos,myChunk)
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implicit none
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integer(pInt), dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
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integer(pInt), intent(in) :: myChunk !< position number of desired chunk
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character(len=1+chunkPos(myChunk*2+1)-chunkPos(myChunk*2)) :: IIO_stringValue
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character(len=*), intent(in) :: string !< raw input with known start and end of each chunk
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valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then
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IIO_stringValue = ''
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else valuePresent
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IIO_stringValue = string(chunkPos(myChunk*2):chunkPos(myChunk*2+1))
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endif valuePresent
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end function IIO_stringValue
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!--------------------------------------------------------------------------------------------------
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!> @brief taken from IO, check IO_intValue for documentation
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!--------------------------------------------------------------------------------------------------
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integer(pInt) pure function IIO_intValue(string,chunkPos,myChunk)
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|
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implicit none
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character(len=*), intent(in) :: string !< raw input with known start and end of each chunk
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|
integer(pInt), intent(in) :: myChunk !< position number of desired sub string
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|
integer(pInt), dimension(:), intent(in) :: chunkPos !< positions of start and end of each tag/chunk in given string
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|
|
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|
|
valuePresent: if (myChunk > chunkPos(1) .or. myChunk < 1_pInt) then
|
|
IIO_intValue = 0_pInt
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|
else valuePresent
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|
read(UNIT=string(chunkPos(myChunk*2):chunkPos(myChunk*2+1)),ERR=100,FMT=*) IIO_intValue
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|
endif valuePresent
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|
return
|
|
100 IIO_intValue = huge(1_pInt)
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|
|
end function IIO_intValue
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|
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!--------------------------------------------------------------------------------------------------
|
|
!> @brief taken from IO, check IO_lc for documentation
|
|
!--------------------------------------------------------------------------------------------------
|
|
pure function IIO_lc(string)
|
|
|
|
implicit none
|
|
character(len=*), intent(in) :: string !< string to convert
|
|
character(len=len(string)) :: IIO_lc
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|
|
|
character(26), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
|
|
character(26), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
|
|
|
|
integer :: i,n ! no pInt (len returns default integer)
|
|
|
|
IIO_lc = string
|
|
do i=1,len(string)
|
|
n = index(UPPER,IIO_lc(i:i))
|
|
if (n/=0) IIO_lc(i:i) = LOWER(n:n)
|
|
enddo
|
|
|
|
end function IIO_lc
|
|
|
|
|
|
!--------------------------------------------------------------------------------------------------
|
|
!> @brief taken from IO, check IO_stringPos for documentation
|
|
!--------------------------------------------------------------------------------------------------
|
|
pure function IIO_stringPos(string)
|
|
|
|
implicit none
|
|
integer(pInt), dimension(:), allocatable :: IIO_stringPos
|
|
character(len=*), intent(in) :: string !< string in which chunks are searched for
|
|
|
|
character(len=*), parameter :: SEP=achar(44)//achar(32)//achar(9)//achar(10)//achar(13) ! comma and whitespaces
|
|
integer :: left, right ! no pInt (verify and scan return default integer)
|
|
|
|
allocate(IIO_stringPos(1), source=0_pInt)
|
|
right = 0
|
|
|
|
do while (verify(string(right+1:),SEP)>0)
|
|
left = right + verify(string(right+1:),SEP)
|
|
right = left + scan(string(left:),SEP) - 2
|
|
if ( string(left:left) == '#' ) exit
|
|
IIO_stringPos = [IIO_stringPos,int(left, pInt), int(right, pInt)]
|
|
IIO_stringPos(1) = IIO_stringPos(1)+1_pInt
|
|
enddo
|
|
|
|
end function IIO_stringPos
|
|
|
|
|
|
end module
|