223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

unfified interface for spectral and FEM solver 

Note: extension to load case and geometry is not added automatically
anymore!
This commit is contained in:
Martin Diehl 2018-08-20 15:59:13 +02:00
parent f29a5b3df3
commit b8d56ae320
3 changed files with 29 additions and 53 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
src/DAMASK_spectral.f90
View File

@ -27,7 +27,7 @@ program DAMASK_spectral
loadCaseFile, & loadCaseFile, &
geometryFile, & geometryFile, &
getSolverJobName, & getSolverJobName, &
appendToOutFile interface_appendToOutFile
use IO, only: & use IO, only: &
IO_read, & IO_read, &
IO_isBlank, & IO_isBlank, &
@ -383,7 +383,7 @@ program DAMASK_spectral
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write header of output file ! write header of output file
if (worldrank == 0) then if (worldrank == 0) then
if (.not. appendToOutFile) then ! after restart, append to existing results file if (.not. interface_appendToOutFile) then ! after restart, append to existing results file
if (getCWD(workingDir)) call IO_error(106_pInt,ext_msg=trim(workingDir)) if (getCWD(workingDir)) call IO_error(106_pInt,ext_msg=trim(workingDir))
open(newunit=resUnit,file=trim(getSolverJobName())//& open(newunit=resUnit,file=trim(getSolverJobName())//&
'.spectralOut',form='UNFORMATTED',status='REPLACE') '.spectralOut',form='UNFORMATTED',status='REPLACE')
@ -431,7 +431,7 @@ program DAMASK_spectral
call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr) call MPI_file_seek (resUnit,fileOffset,MPI_SEEK_SET,ierr)
if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek') if (ierr /= 0_pInt) call IO_error(error_ID=894_pInt, ext_msg='MPI_file_seek')
if (.not. appendToOutFile) then ! if not restarting, write 0th increment if (.not. interface_appendToOutFile) then ! if not restarting, write 0th increment
write(6,'(1/,a)') ' ... writing initial configuration to file ........................' write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output do i = 1, size(materialpoint_results,3)/(maxByteOut/(materialpoint_sizeResults*pReal))+1 ! slice the output of my process in chunks not exceeding the limit for one output
outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1? outputIndex = int([(i-1_pInt)*((maxRealOut)/materialpoint_sizeResults)+1_pInt, & ! QUESTION: why not starting i at 0 instead of murky 1?

9
src/FEsolving.f90
View File

@ -81,20 +81,13 @@ subroutine FE_init
modelName = getSolverJobName() modelName = getSolverJobName()
#if defined(Spectral) || defined(FEM) #if defined(Spectral) || defined(FEM)
restartInc = interface_RestartInc
#ifdef Spectral
restartInc = spectralRestartInc
#endif
#ifdef FEM
restartInc = FEMRestartInc
#endif
if(restartInc < 0_pInt) then if(restartInc < 0_pInt) then
call IO_warning(warning_ID=34_pInt) call IO_warning(warning_ID=34_pInt)
restartInc = 0_pInt restartInc = 0_pInt
endif endif
restartRead = restartInc > 0_pInt ! only read in if "true" restart requested restartRead = restartInc > 0_pInt ! only read in if "true" restart requested
#else #else
call IO_open_inputFile(FILEUNIT,modelName) call IO_open_inputFile(FILEUNIT,modelName)
rewind(FILEUNIT) rewind(FILEUNIT)

67
src/spectral_interface.f90
View File

@ -1,9 +1,11 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Jaeyong Jung, Max-Planck-Institut für Eisenforschung GmbH
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Interfacing between the spectral solver and the material subroutines provided !> @brief Interfacing between the PETSc-based solvers and the material subroutines provided
!! by DAMASK !! by DAMASK
!> @details Interfacing between the spectral solver and the material subroutines provided !> @details Interfacing between the PETSc-based solvers and the material subroutines provided
!> by DAMASK. Interpretating the command line arguments to get load case, geometry file, !> by DAMASK. Interpretating the command line arguments to get load case, geometry file,
!> and working directory. !> and working directory.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -13,8 +15,8 @@ module DAMASK_interface
implicit none implicit none
private private
logical, public, protected :: appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding) logical, public, protected :: interface_appendToOutFile = .false. !< Append to existing spectralOut file (in case of restart, not in case of regridding)
integer(pInt), public, protected :: spectralRestartInc = 0_pInt !< Increment at which calculation starts integer(pInt), public, protected :: interface_restartInc = 0_pInt !< Increment at which calculation starts
character(len=1024), public, protected :: & character(len=1024), public, protected :: &
geometryFile = '', & !< parameter given for geometry file geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file loadCaseFile = '' !< parameter given for load case file
@ -54,11 +56,11 @@ subroutine DAMASK_interface_init()
implicit none implicit none
character(len=1024) :: & character(len=1024) :: &
commandLine, & !< command line call as string commandLine, & !< command line call as string
loadcaseArg = '', & !< -l argument given to DAMASK_spectral.exe loadcaseArg = '', & !< -l argument given to the executable
geometryArg = '', & !< -g argument given to DAMASK_spectral.exe geometryArg = '', & !< -g argument given to the executable
workingDirArg = '', & !< -w argument given to DAMASK_spectral.exe workingDirArg = '', & !< -w argument given to the executable
hostName, & !< name of machine on which DAMASK_spectral.exe is execute (might require export HOSTNAME) hostName, & !< name of machine (might require export HOSTNAME)
userName, & !< name of user calling DAMASK_spectral.exe userName, & !< name of user calling the executable
tag tag
integer :: & integer :: &
i, & i, &
@ -110,7 +112,7 @@ subroutine DAMASK_interface_init()
endif mainProcess endif mainProcess
call date_and_time(values = dateAndTime) call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_spectral -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
write(6,'(a,/)') ' Roters et al., Computational Materials Science, 2018' write(6,'(a,/)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',& write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
@ -120,7 +122,6 @@ subroutine DAMASK_interface_init()
dateAndTime(6),':',& dateAndTime(6),':',&
dateAndTime(7) dateAndTime(7)
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
#include "compilation_info.f90" #include "compilation_info.f90"
call get_command(commandLine) call get_command(commandLine)
@ -129,9 +130,8 @@ subroutine DAMASK_interface_init()
select case(IIO_stringValue(commandLine,chunkPos,i)) ! extract key select case(IIO_stringValue(commandLine,chunkPos,i)) ! extract key
case ('-h','--help') case ('-h','--help')
write(6,'(a)') ' #######################################################################' write(6,'(a)') ' #######################################################################'
write(6,'(a)') ' DAMASK_spectral:' write(6,'(a)') ' DAMASK Command Line Interface:'
write(6,'(a)') ' The spectral method boundary value problem solver for' write(6,'(a)') ' For PETSc-based solvers for the Düsseldorf Advanced Material Simulation Kit'
write(6,'(a)') ' the Düsseldorf Advanced Material Simulation Kit'
write(6,'(a,/)')' #######################################################################' write(6,'(a,/)')' #######################################################################'
write(6,'(a,/)')' Valid command line switches:' write(6,'(a,/)')' Valid command line switches:'
write(6,'(a)') ' --geom (-g, --geometry)' write(6,'(a)') ' --geom (-g, --geometry)'
@ -141,23 +141,14 @@ subroutine DAMASK_interface_init()
write(6,'(a)') ' --help (-h)' write(6,'(a)') ' --help (-h)'
write(6,'(/,a)')' -----------------------------------------------------------------------' write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Mandatory arguments:' write(6,'(a)') ' Mandatory arguments:'
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom.geom' write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom'
write(6,'(a)') ' Specifies the location of the geometry definition file,' write(6,'(a)') ' Specifies the location of the geometry definition file.'
write(6,'(a)') ' if no extension is given, .geom will be appended.' write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile'
write(6,'(a)') ' "PathToGeomFile" will be the working directory if not specified' write(6,'(a)') ' Specifies the location of the load case definition file.'
write(6,'(a)') ' via --workingdir.'
write(6,'(a)') ' Make sure the file "material.config" exists in the working'
write(6,'(a)') ' directory.'
write(6,'(a)') ' For further configuration place "numerics.config"'
write(6,'(a)')' and "numerics.config" in that directory.'
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile.load'
write(6,'(a)') ' Specifies the location of the load case definition file,'
write(6,'(a)') ' if no extension is given, .load will be appended.'
write(6,'(/,a)')' -----------------------------------------------------------------------' write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Optional arguments:' write(6,'(a)') ' Optional arguments:'
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory' write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
write(6,'(a)') ' Specifies the working directory and overwrites the default' write(6,'(a)') ' Specifies the working directory and overwrites the default ./'
write(6,'(a)') ' "PathToGeomFile".'
write(6,'(a)') ' Make sure the file "material.config" exists in the working' write(6,'(a)') ' Make sure the file "material.config" exists in the working'
write(6,'(a)') ' directory.' write(6,'(a)') ' directory.'
write(6,'(a)') ' For further configuration place "numerics.config"' write(6,'(a)') ' For further configuration place "numerics.config"'
@ -166,7 +157,7 @@ subroutine DAMASK_interface_init()
write(6,'(a)') ' Reads in increment XX and continues with calculating' write(6,'(a)') ' Reads in increment XX and continues with calculating'
write(6,'(a)') ' increment XX+1 based on this.' write(6,'(a)') ' increment XX+1 based on this.'
write(6,'(a)') ' Appends to existing results file' write(6,'(a)') ' Appends to existing results file'
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.spectralOut".' write(6,'(a)') ' "NameOfGeom_NameOfLoadFile".'
write(6,'(a)') ' Works only if the restart information for increment XX' write(6,'(a)') ' Works only if the restart information for increment XX'
write(6,'(a)') ' is available in the working directory.' write(6,'(a)') ' is available in the working directory.'
write(6,'(/,a)')' -----------------------------------------------------------------------' write(6,'(/,a)')' -----------------------------------------------------------------------'
@ -182,8 +173,8 @@ subroutine DAMASK_interface_init()
if (i < chunkPos(1)) workingDirArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt)) if (i < chunkPos(1)) workingDirArg = trim(IIO_stringValue(commandLine,chunkPos,i+1_pInt))
case ('-r', '--rs', '--restart') case ('-r', '--rs', '--restart')
if (i < chunkPos(1)) then if (i < chunkPos(1)) then
spectralRestartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt) interface_restartInc = IIO_IntValue(commandLine,chunkPos,i+1_pInt)
appendToOutFile = .true. interface_appendToOutFile = .true.
endif endif
end select end select
enddo enddo
@ -210,9 +201,9 @@ subroutine DAMASK_interface_init()
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile) write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile) write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName()) write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
if (SpectralRestartInc > 0_pInt) & if (interface_restartInc > 0_pInt) &
write(6,'(a,i6.6)') ' Restart from increment: ', spectralRestartInc write(6,'(a,i6.6)') ' Restart from increment: ', interface_restartInc
write(6,'(a,l1,/)') ' Append to result file: ', appendToOutFile write(6,'(a,l1,/)') ' Append to result file: ', interface_appendToOutFile
end subroutine DAMASK_interface_init end subroutine DAMASK_interface_init
@ -288,14 +279,10 @@ character(len=1024) function getGeometryFile(geometryParameter)
implicit none implicit none
character(len=1024), intent(in) :: & character(len=1024), intent(in) :: &
geometryParameter geometryParameter
integer :: posExt, posSep
external :: quit external :: quit
getGeometryFile = trim(geometryParameter) getGeometryFile = trim(geometryParameter)
posExt = scan(getGeometryFile,'.',back=.true.)
posSep = scan(getGeometryFile,'/',back=.true.)
if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom')
if (scan(getGeometryFile,'/') /= 1) & if (scan(getGeometryFile,'/') /= 1) &
getGeometryFile = trim(workingDirectory)//'/'//trim(getGeometryFile) getGeometryFile = trim(workingDirectory)//'/'//trim(getGeometryFile)
@ -313,14 +300,10 @@ character(len=1024) function getLoadCaseFile(loadCaseParameter)
implicit none implicit none
character(len=1024), intent(in) :: & character(len=1024), intent(in) :: &
loadCaseParameter loadCaseParameter
integer :: posExt, posSep
external :: quit external :: quit
getLoadCaseFile = trim(loadCaseParameter) getLoadCaseFile = trim(loadCaseParameter)
posExt = scan(getLoadCaseFile,'.',back=.true.)
posSep = scan(getLoadCaseFile,'/',back=.true.)
if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load')
if (scan(getLoadCaseFile,'/') /= 1) & if (scan(getLoadCaseFile,'/') /= 1) &
getLoadCaseFile = trim(workingDirectory)//'/'//trim(getLoadCaseFile) getLoadCaseFile = trim(workingDirectory)//'/'//trim(getLoadCaseFile)