added funtionality to specify working directory to spectral solver
This commit is contained in:
Martin Diehl
parent
766202bae9
commit
7a43d1b6ad
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@ -23,6 +23,10 @@
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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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@ -34,26 +38,26 @@ module DAMASK_interface
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#include <finclude/petscsys.h>
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#endif
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logical, protected, public :: &
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appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
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integer(pInt), protected, public :: &
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spectralRestartInc = 1_pInt !< Increment at which calculation starts
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character(len=1024), protected, public :: &
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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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public :: getSolverWorkingDirectoryName, &
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getSolverJobName, &
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DAMASK_interface_init
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private :: getGeometryFile, &
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private :: 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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getPathSep, &
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IO_stringValue, &
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IO_intValue, &
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IO_lc, &
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IO_stringPos
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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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@ -67,29 +71,27 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
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implicit none
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character(len=1024), optional, intent(in) :: &
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loadCaseParameterIn, &
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geometryParameterIn
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loadCaseParameterIn, & !< if using the f2py variant, the -l argument of DAMASK_spectral.exe
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geometryParameterIn !< if using the f2py variant, the -g argument of DAMASK_spectral.exe
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character(len=1024) :: &
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commandLine, & !< command line call as string
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geometryParameter, &
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loadCaseParameter, &
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hostName, & !< name of computer
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userName, & !< name of user calling the executable
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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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integer, parameter :: &
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maxNchunks = 7
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maxNchunks = 10 !< DAMASK_spectral + (l,g,w,r)*2 + h
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integer, dimension(1+ 2* maxNchunks) :: &
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positions
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integer, dimension(8) :: &
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dateAndTime ! type default integer
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logical :: &
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gotLoadCase = .false., &
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gotGeometry = .false.
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#ifdef PETSc
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PetscErrorCode :: ierr
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!--------------------------------------------------------------------------------------------------
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! PETSc Init
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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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@ -97,90 +99,99 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
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#endif
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open(6, encoding='UTF-8') ! modern fortran compilers (gfortran >4.4, ifort >11 support it)
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write(6,'(a)') ''
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write(6,'(a)') ' <<<+- DAMASK_spectral_interface init -+>>>'
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write(6,'(/,a)') ' <<<+- DAMASK_spectral_interface init -+>>>'
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write(6,'(a)') ' $Id$'
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#include "compilation_info.f90"
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if ( present(loadcaseParameterIn) .and. present(geometryParameterIn)) then ! both mandatory parameters given in function call
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geometryParameter = geometryParameterIn
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loadcaseParameter = loadcaseParameterIn
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geometryArg = geometryParameterIn
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loadcaseArg = loadcaseParameterIn
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commandLine = 'n/a'
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gotLoadCase = .true.
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gotGeometry = .true.
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else if ( .not.( present(loadcaseParameterIn) .and. present(geometryParameterIn))) then ! none parameters given in function call, trying to get them from command line
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call get_command(commandLine)
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positions = IO_stringPos(commandLine,maxNchunks)
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positions = IIO_stringPos(commandLine,maxNchunks)
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do i = 1, maxNchunks
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tag = IO_lc(IO_stringValue(commandLine,positions,i)) ! extract key
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tag = IIO_lc(IIO_stringValue(commandLine,positions,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)') ' #######################################################################'
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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 Duesseldorf 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)') ' 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)'
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write(6,'(a)') ' --restart (-r, --rs)'
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write(6,'(a)') ' --regrid (--rg)'
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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)') ' --load PathToLoadFile/NameOfLoadFile.load'
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write(6,'(a)') ' "PathToLoadFile" will be the working directory.'
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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)') ' 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)') ' '
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write(6,'(a)') ' --geom PathToGeomFile/NameOfGeom.geom'
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write(6,'(a)') ' '
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write(6,'(a)') ' Optional Argument:'
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write(6,'(a)') ' --restart XX'
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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 "numerics.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 continous 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)') ' --regrid XX'
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write(6,'(/,a)')' --regrid XX'
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write(6,'(a)') ' Reads in total increment No. XX-1 and continous to'
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write(6,'(a)') ' calculate total increment No. XX.'
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write(6,'(a)') ' Attention: Overwrites 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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write(6,'(a)') ' '
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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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loadcaseParameter = IO_stringValue(commandLine,positions,i+1_pInt)
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gotLoadCase = .true.
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loadcaseArg = IIO_stringValue(commandLine,positions,i+1_pInt)
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case ('-g', '--geom', '--geometry')
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geometryParameter = IO_stringValue(commandLine,positions,i+1_pInt)
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gotGeometry = .true.
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geometryArg = IIO_stringValue(commandLine,positions,i+1_pInt)
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case ('-w', '--wd', '--workingdir', '--workingdirectory')
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workingDirArg = IIO_stringValue(commandLine,positions,i+1_pInt)
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case ('-r', '--rs', '--restart')
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spectralRestartInc = IO_IntValue(commandLine,positions,i+1_pInt)
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spectralRestartInc = IIO_IntValue(commandLine,positions,i+1_pInt)
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appendToOutFile = .true.
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case ('--rg', '--regrid')
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spectralRestartInc = IO_IntValue(commandLine,positions,i+1_pInt)
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spectralRestartInc = IIO_IntValue(commandLine,positions,i+1_pInt)
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appendToOutFile = .false.
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end select
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enddo
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endif
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if (.not. (gotLoadCase .and. gotGeometry)) then
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write(6,'(a)') ' Please specify Geometry AND Load Case'
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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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geometryFile = getGeometryFile(geometryParameter)
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loadCaseFile = getLoadCaseFile(loadCaseParameter)
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workingDirectory = 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('HOSTNAME',hostName)
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call get_environment_variable('USER',userName)
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@ -196,38 +207,64 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
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write(6,'(a,a)') ' User name: ', trim(userName)
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write(6,'(a,a)') ' Path separator: ', getPathSep()
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write(6,'(a,a)') ' Command line call: ', trim(commandLine)
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write(6,'(a,a)') ' Geometry parameter: ', trim(geometryParameter)
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write(6,'(a,a)') ' Loadcase parameter: ', trim(loadcaseParameter)
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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)') ' Working Directory: ', trim(getSolverWorkingDirectoryName())
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write(6,'(a,a)') ' Solver Job Name: ', trim(getSolverJobName())
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write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
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if (SpectralRestartInc > 1_pInt) write(6,'(a,i6.6)') &
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' 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 loadcase file possibly based on current working dir
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!--------------------------------------------------------------------------------------------------
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character(len=1024) function getSolverWorkingDirectoryName()
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character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryArg)
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implicit none
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character(len=*), intent(in) :: workingDirectoryArg
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character(len=*), intent(in) :: geometryArg
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character(len=1024) :: cwd
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character :: pathSep
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pathSep = getPathSep()
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if (geometryFile(1:1) == pathSep) then ! absolute path given as command line argument
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getSolverWorkingDirectoryName = geometryFile(1:scan(geometryFile,pathSep,back=.true.))
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if (len(workingDirectoryArg)>0) then ! got working directory as input
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if (workingDirectoryArg(1:1) == pathSep) then ! absolute path given as command line argument
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storeWorkingDirectory = workingDirectoryArg
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else
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call getcwd(cwd) ! relative path given as command line argument
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getSolverWorkingDirectoryName = trim(cwd)//pathSep//&
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geometryFile(1:scan(geometryFile,pathSep,back=.true.))
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storeWorkingDirectory = trim(cwd)//pathSep//workingDirectoryArg
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endif
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if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) & ! if path seperator is not given, append it
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/= pathSep) storeWorkingDirectory = trim(storeWorkingDirectory)//pathSep
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else ! using path to geometry file as working dir
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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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call getcwd(cwd) ! relative path given as command line argument
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storeWorkingDirectory = trim(cwd)//pathSep//&
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geometryArg(1:scan(geometryArg,pathSep,back=.true.))
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endif
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endif
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storeWorkingDirectory = rectifyPath(storeWorkingDirectory)
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getSolverWorkingDirectoryName = rectifyPath(getSolverWorkingDirectoryName)
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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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@ -389,7 +426,7 @@ end function makeRelativePath
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!--------------------------------------------------------------------------------------------------
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!> @brief counting / and \ in $PATH System variable the character occuring more often is assumed
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!! to be the path separator
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! to be the path separator
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!--------------------------------------------------------------------------------------------------
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character function getPathSep()
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@ -412,32 +449,31 @@ character function getPathSep()
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end function getPathSep
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!********************************************************************
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! read string value at myPos from line
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!********************************************************************
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pure function IO_stringValue(line,positions,myPos)
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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(line,positions,myPos)
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implicit none
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integer(pInt), intent(in) :: positions(*), &
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myPos
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character(len=1+positions(myPos*2+1)-positions(myPos*2)) :: IO_stringValue
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character(len=1+positions(myPos*2+1)-positions(myPos*2)) :: IIO_stringValue
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character(len=*), intent(in) :: line
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if (positions(1) < myPos) then
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IO_stringValue = ''
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IIO_stringValue = ''
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else
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IO_stringValue = line(positions(myPos*2):positions(myPos*2+1))
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IIO_stringValue = line(positions(myPos*2):positions(myPos*2+1))
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endif
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end function IO_stringValue
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end function IIO_stringValue
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!********************************************************************
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! read int value at myPos from line
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!********************************************************************
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integer(pInt) pure function IO_intValue(line,positions,myPos)
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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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integer(pInt) pure function IIO_intValue(line,positions,myPos)
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implicit none
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character(len=*), intent(in) :: line
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@ -445,46 +481,46 @@ integer(pInt) pure function IO_intValue(line,positions,myPos)
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myPos
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if (positions(1) < myPos) then
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IO_intValue = 0_pInt
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IIO_intValue = 0_pInt
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else
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read(UNIT=line(positions(myPos*2):positions(myPos*2+1)),ERR=100,FMT=*) IO_intValue
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read(UNIT=line(positions(myPos*2):positions(myPos*2+1)),ERR=100,FMT=*) IIO_intValue
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endif
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return
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100 IO_intValue = huge(1_pInt)
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100 IIO_intValue = huge(1_pInt)
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end function IO_intValue
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end function IIO_intValue
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!********************************************************************
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! change character in line to lower case
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!********************************************************************
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pure function IO_lc(line)
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!--------------------------------------------------------------------------------------------------
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!> @brief taken from IO, check IO_lc for documentation
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!--------------------------------------------------------------------------------------------------
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pure function IIO_lc(line)
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implicit none
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character(26), parameter :: lower = 'abcdefghijklmnopqrstuvwxyz'
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character(26), parameter :: upper = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
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character(len=*), intent(in) :: line
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character(len=len(line)) :: IO_lc
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character(len=len(line)) :: IIO_lc
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integer :: i,n ! no pInt (len returns default integer)
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||||
IO_lc = line
|
||||
IIO_lc = line
|
||||
do i=1,len(line)
|
||||
n = index(upper,IO_lc(i:i))
|
||||
if (n/=0) IO_lc(i:i) = lower(n:n)
|
||||
n = index(upper,IIO_lc(i:i))
|
||||
if (n/=0) IIO_lc(i:i) = lower(n:n)
|
||||
enddo
|
||||
|
||||
end function IO_lc
|
||||
end function IIO_lc
|
||||
|
||||
!********************************************************************
|
||||
! locate at most N space-separated parts in line
|
||||
! return array containing number of parts in line and
|
||||
! the left/right positions of at most N to be used by IO_xxxVal
|
||||
!********************************************************************
|
||||
pure function IO_stringPos(line,N)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief taken from IO, check IO_stringPos for documentation
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function IIO_stringPos(line,N)
|
||||
|
||||
implicit none
|
||||
integer(pInt), intent(in) :: N
|
||||
integer(pInt) :: IO_stringPos(1_pInt+N*2_pInt)
|
||||
integer(pInt) :: IIO_stringPos(1_pInt+N*2_pInt)
|
||||
|
||||
character(len=*), intent(in) :: line
|
||||
|
||||
|
|
@ -493,8 +529,8 @@ pure function IO_stringPos(line,N)
|
|||
integer :: left, right !no pInt (verify and scan return default integer)
|
||||
|
||||
|
||||
IO_stringPos = -1_pInt
|
||||
IO_stringPos(1) = 0_pInt
|
||||
IIO_stringPos = -1_pInt
|
||||
IIO_stringPos(1) = 0_pInt
|
||||
right = 0
|
||||
|
||||
do while (verify(line(right+1:),sep)>0)
|
||||
|
|
@ -503,13 +539,14 @@ pure function IO_stringPos(line,N)
|
|||
if ( line(left:left) == '#' ) then
|
||||
exit
|
||||
endif
|
||||
if ( IO_stringPos(1)<N ) then
|
||||
IO_stringPos(1_pInt+IO_stringPos(1)*2_pInt+1_pInt) = int(left, pInt)
|
||||
IO_stringPos(1_pInt+IO_stringPos(1)*2_pInt+2_pInt) = int(right, pInt)
|
||||
if ( IIO_stringPos(1)<N ) then
|
||||
IIO_stringPos(1_pInt+IIO_stringPos(1)*2_pInt+1_pInt) = int(left, pInt)
|
||||
IIO_stringPos(1_pInt+IIO_stringPos(1)*2_pInt+2_pInt) = int(right, pInt)
|
||||
endif
|
||||
IO_stringPos(1) = IO_stringPos(1)+1_pInt
|
||||
IIO_stringPos(1) = IIO_stringPos(1)+1_pInt
|
||||
enddo
|
||||
|
||||
end function IO_stringPos
|
||||
end function IIO_stringPos
|
||||
|
||||
|
||||
end module
|
||||
|
|
|
|||
|
|
@ -20,7 +20,6 @@ module DAMASK_spectral_SolverBasicPETSc
|
|||
#include <finclude/petscsys.h>
|
||||
#include <finclude/petscdmda.h>
|
||||
#include <finclude/petscsnes.h>
|
||||
|
||||
character (len=*), parameter, public :: &
|
||||
DAMASK_spectral_SolverBasicPETSC_label = 'basicpetsc'
|
||||
|
||||
|
|
|
|||
|
|
@ -112,11 +112,12 @@ subroutine utilities_init()
|
|||
debug_spectralDivergence, &
|
||||
debug_spectralRestart, &
|
||||
debug_spectralFFTW, &
|
||||
#ifdef PETSc
|
||||
debug_spectralPETSc, &
|
||||
PETScDebug, &
|
||||
#endif
|
||||
debug_spectralRotation
|
||||
#ifdef PETSc
|
||||
use debug, only: &
|
||||
debug_spectralPETSc, &
|
||||
PETScDebug
|
||||
#endif
|
||||
use mesh, only: &
|
||||
res, &
|
||||
res1_red, &
|
||||
|
|
|
|||
Loading…
Reference in New Issue