option to specify numerics configuration file and jobname
default jobname now includes all CLI arguments (for mesh/grid only)
This commit is contained in:
Martin Diehl
parent
bb49289b76
commit
3af61233c9
2
PRIVATE
2
PRIVATE
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@ -1 +1 @@
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Subproject commit 9f4ffce8b2df951191a14dc3229de1aee6e544e6
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Subproject commit 3c4052994318bf41620af2e4c8795f36cabc3645
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236
src/CLI.f90
236
src/CLI.f90
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@ -21,14 +21,16 @@ module CLI
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implicit none(type,external)
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private
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integer, public, protected :: &
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CLI_restartInc = 0 !< Increment at which calculation starts
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CLI_restartInc = 0 !< increment at which calculation starts
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character(len=:), allocatable, public, protected :: &
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CLI_geomFile, & !< parameter given for geometry file
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CLI_loadFile, & !< parameter given for load case file
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CLI_materialFile
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CLI_geomFile, & !< location of the geometry file
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CLI_loadFile, & !< location of the load case file
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CLI_materialFile, & !< location of the material configuration file
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CLI_numericsFile, & !< location of the numerics configuration file
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solverJobname
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public :: &
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getSolverJobName, &
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getSolverJobname, &
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CLI_init
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contains
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@ -47,10 +49,11 @@ subroutine CLI_init()
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character(len=:), allocatable :: &
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commandLine, & !< command line call as string
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arg, & !< individual argument
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loadCaseArg, & !< -l argument given to the executable
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geometryArg, & !< -g argument given to the executable
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materialArg, & !< -m argument given to the executable
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workingDirArg !< -w argument given to the executable
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geomArg, & !< -g CLI argument
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loadArg, & !< -l CLI argument
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materialArg, & !< -m CLI argument
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numericsArg, & !< -n CLI argument
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workingDirArg !< -w CLI argument
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integer :: &
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stat, &
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i
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@ -62,94 +65,105 @@ subroutine CLI_init()
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workingDirArg = getCWD()
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print '(/,1x,a)', '<<<+- CLI init -+>>>'
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print'(/,1x,a)', '<<<+- CLI init -+>>>'
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! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203
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#ifdef DEBUG
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print '(a)', achar(27)//'[31m'
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print '(1x,a,/)', 'debug version - debug version - debug version - debug version - debug version'
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print'(a)', achar(27)//'[31m'
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print'(1x,a,/)', 'debug version - debug version - debug version - debug version - debug version'
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#else
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print '(a)', achar(27)//'[94m'
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print'(a)', achar(27)//'[94m'
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#endif
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print '(1x,a)', ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/'
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print '(1x,a)', ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/'
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print '(1x,a)', ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/'
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print '(1x,a)', ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
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print '(1x,a)', '_/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/'
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print'(1x,a)', ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/'
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print'(1x,a)', ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/'
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print'(1x,a)', ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/'
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print'(1x,a)', ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
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print'(1x,a)', '_/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/'
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#if defined(GRID)
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print '(1x,a)', 'Grid solver'
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print'(1x,a)', 'Grid solver'
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#elif defined(MESH)
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print '(1x,a)', 'Mesh solver'
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print'(1x,a)', 'Mesh solver'
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#endif
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#ifdef DEBUG
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print '(/,1x,a)', 'debug version - debug version - debug version - debug version - debug version'
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print'(/,1x,a)', 'debug version - debug version - debug version - debug version - debug version'
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#endif
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print '(a)', achar(27)//'[0m'
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print'(a)', achar(27)//'[0m'
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print '(1x,a)', 'F. Roters et al., Computational Materials Science 158:420–478, 2019'
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print '(1x,a)', 'https://doi.org/10.1016/j.commatsci.2018.04.030'
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print'(1x,a)', 'F. Roters et al., Computational Materials Science 158:420–478, 2019'
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print'(1x,a)', 'https://doi.org/10.1016/j.commatsci.2018.04.030'
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print '(/,1x,a)', 'Version: '//DAMASKVERSION
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print'(/,1x,a)', 'Version: '//DAMASKVERSION
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print '(/,1x,a)', 'Compiled with: '//compiler_version()
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print '(1x,a)', 'Compiled on: '//CMAKE_SYSTEM
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print '(1x,a)', 'Compiler options: '//compiler_options()
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print'(/,1x,a)', 'Compiled with: '//compiler_version()
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print'(1x,a)', 'Compiled on: '//CMAKE_SYSTEM
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print'(1x,a)', 'Compiler options: '//compiler_options()
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! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
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print '(/,1x,a)', 'Compiled on: '//__DATE__//' at '//__TIME__
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print'(/,1x,a)', 'Compiled on: '//__DATE__//' at '//__TIME__
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print '(/,1x,a,1x,i0,a,i0,a,i0)', &
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print'(/,1x,a,1x,i0,a,i0,a,i0)', &
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'PETSc version:',PETSC_VERSION_MAJOR,'.',PETSC_VERSION_MINOR,'.',PETSC_VERSION_SUBMINOR
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call date_and_time(values = dateAndTime)
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print '(/,1x,a,1x,2(i2.2,a),i4.4)', 'Date:',dateAndTime(3),'/',dateAndTime(2),'/',dateAndTime(1)
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print '(1x,a,1x,2(i2.2,a),i2.2)', 'Time:',dateAndTime(5),':',dateAndTime(6),':',dateAndTime(7)
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print'(/,1x,a,1x,2(i2.2,a),i4.4)', 'Date:',dateAndTime(3),'/',dateAndTime(2),'/',dateAndTime(1)
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print'(1x,a,1x,2(i2.2,a),i2.2)', 'Time:',dateAndTime(5),':',dateAndTime(6),':',dateAndTime(7)
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do i = 1, command_argument_count()
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arg = getArg(i)
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select case(trim(arg)) ! extract key
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case ('-h','--help')
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print '(/,1x,a)','#######################################################################'
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print '(1x,a)', 'DAMASK Command Line Interface:'
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print '(1x,a)', 'Düsseldorf Advanced Material Simulation Kit with PETSc-based solvers'
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print '(1x,a,/)','#######################################################################'
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print '(1x,a,/)','Valid command line switches:'
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print '(1x,a)', ' --geom (-g, --geometry)'
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print '(1x,a)', ' --load (-l, --loadcase)'
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print '(1x,a)', ' --material (-m, --materialconfig)'
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print '(1x,a)', ' --workingdir (-w, --wd, --workingdirectory)'
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print '(1x,a)', ' --restart (-r, --rs)'
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print '(1x,a)', ' --help (-h)'
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print '(/,1x,a)','-----------------------------------------------------------------------'
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print '(1x,a)', 'Mandatory arguments:'
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print '(/,1x,a)',' --geom PathToGeomFile/NameOfGeom'
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print '(1x,a)', ' Specifies the location of the geometry definition file.'
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print '(/,1x,a)',' --load PathToLoadFile/NameOfLoadFile'
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print '(1x,a)', ' Specifies the location of the load case definition file.'
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print '(/,1x,a)',' --material PathToMaterialConfigurationFile/NameOfMaterialConfigurationFile'
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print '(1x,a)', ' Specifies the location of the material configuration file.'
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print '(/,1x,a)','-----------------------------------------------------------------------'
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print '(1x,a)', 'Optional arguments:'
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print '(/,1x,a)',' --workingdirectory PathToWorkingDirectory'
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print '(1x,a)', ' Specifies the base directory of relative paths.'
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print '(/,1x,a)',' --restart N'
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print '(1x,a)', ' Reads in increment N and continues with calculating'
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print '(1x,a)', ' increment N+1, N+2, ... based on this.'
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print '(1x,a)', ' Appends to existing results file'
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print '(1x,a)', ' "NameOfGeom_NameOfLoadFile_NameOfMaterialConfigurationFile.hdf5".'
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print '(1x,a)', ' Works only if the restart information for increment N'
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print '(1x,a)', ' is available in the base directory.'
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print '(/,1x,a)','-----------------------------------------------------------------------'
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print '(1x,a)', 'Help:'
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print '(/,1x,a)',' --help'
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print '(1x,a,/)',' Prints this message and exits'
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print'(/,1x,a)','#######################################################################'
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print'(1x,a)', 'DAMASK Command Line Interface:'
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print'(1x,a)', 'Düsseldorf Advanced Material Simulation Kit with PETSc-based solvers'
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print'(1x,a,/)','#######################################################################'
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print'(1x,a,/)','Valid command line switches:'
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print'(1x,a)', ' --geom (-g, --geometry)'
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print'(1x,a)', ' --load (-l, --loadcase)'
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print'(1x,a)', ' --material (-m, --materialconfig)'
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print'(1x,a)', ' --numerics (-n, --numericsconfig)'
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print'(1x,a)', ' --jobname (-j, --job)'
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print'(1x,a)', ' --workingdir (-w, --wd, --workingdirectory)'
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print'(1x,a)', ' --restart (-r, --rs)'
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print'(1x,a)', ' --help (-h)'
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print'(/,1x,a)','-----------------------------------------------------------------------'
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print'(1x,a)', 'Mandatory arguments:'
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print'(/,1x,a)',' --geom GEOMFILE'
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print'(1x,a)', ' specify the file path of the geometry definition'
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print'(/,1x,a)',' --load LOADFILE'
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print'(1x,a)', ' specify the file path of the load case definition'
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print'(/,1x,a)',' --material MATERIALFILE'
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print'(1x,a)', ' specify the file path of the material configuration'
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print'(/,1x,a)','-----------------------------------------------------------------------'
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print'(1x,a)', 'Optional arguments:'
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print'(/,1x,a)',' --numerics NUMERICSFILE'
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print'(1x,a)', ' Specify the file path of the numerics configuration'
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print'(/,1x,a)',' --jobname JOBNAME'
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print'(1x,a)', ' specify the job name.'
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print'(1x,a)', ' Defaults to GEOM_LOAD_MATERIAL[_NUMERICS].'
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print'(/,1x,a)',' --workingdirectory WORKINGDIRECTORY'
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print'(1x,a)', ' specify the base directory of relative paths.'
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print'(1x,a)', ' Defaults to the current working directory'
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print'(/,1x,a)',' --restart N'
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print'(1x,a)', ' read in increment N and continues with calculating'
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print'(1x,a)', ' increment N+1, N+2, ... based on this'
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print'(1x,a)', ' works only if the restart information for increment N'
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print'(1x,a)', ' is available in JOBNAME_restart.hdf5'
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print'(1x,a)', ' append to existing results file JOBNAME.hdf5'
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print'(/,1x,a)','-----------------------------------------------------------------------'
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print'(1x,a)', 'Help:'
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print'(/,1x,a)',' --help'
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print'(1x,a,/)',' Prints this message and exits'
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call quit(0) ! normal Termination
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case ('-l', '--load', '--loadcase')
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loadCaseArg = getArg(i+1)
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case ('-g', '--geom', '--geometry')
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geometryArg = getArg(i+1)
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geomArg = getArg(i+1)
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case ('-l', '--load', '--loadcase')
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loadArg = getArg(i+1)
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case ('-m', '--material', '--materialconfig')
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materialArg = getArg(i+1)
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case ('-n', '--numerics', '--numericsconfig')
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numericsArg = getArg(i+1)
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case ('-j', '--job', '--jobname')
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solverJobname = getArg(i+1)
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case ('-w', '--wd', '--workingdir', '--workingdirectory')
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workingDirArg = getArg(i+1)
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case ('-r', '--rs', '--restart')
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@ -162,33 +176,46 @@ subroutine CLI_init()
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end select
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end do
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if (.not. all([allocated(loadcaseArg),allocated(geometryArg),allocated(materialArg)])) then
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print '(/,1x,a)', 'ERROR: Please specify geometry AND load case AND material configuration (-h for help)'
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if (.not. all([allocated(loadArg),allocated(geomArg),allocated(materialArg)])) then
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print'(/,1x,a)', 'ERROR: Please specify geometry AND load case AND material configuration (-h for help)'
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call quit(1)
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end if
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call setWorkingDirectory(trim(workingDirArg))
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CLI_geomFile = getPathRelCWD(geometryArg,'geometry')
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CLI_loadFile = getPathRelCWD(loadCaseArg,'load case')
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CLI_geomFile = getPathRelCWD(geomArg,'geometry')
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CLI_loadFile = getPathRelCWD(loadArg,'load case')
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CLI_materialFile = getPathRelCWD(materialArg,'material configuration')
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if (allocated(numericsArg)) then
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CLI_numericsFile = getPathRelCWD(numericsArg,'numerics configuration')
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else
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CLI_numericsFile = ''
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endif
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if (.not. allocated(solverJobname)) then
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solverJobname = jobname(CLI_geomFile,CLI_loadFile,CLI_materialFile,CLI_numericsFile)
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elseif (scan(solverJobname,'/') > 0) then
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print'(/,1x,a)', 'ERROR: JOBNAME must not contain any slashes'
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call quit(1)
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endif
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commandLine = getArg(-1)
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print '(/,1x,a)', 'Host name: '//getHostName()
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print '(1x,a)', 'User name: '//getUserName()
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print'(/,1x,a)', 'Host name: '//getHostName()
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print'(1x,a)', 'User name: '//getUserName()
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print '(/,1x,a,/)', 'Command line call: '//trim(commandLine)
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print '(1x,a)', 'Working directory: '//IO_glueDiffering(getCWD(),workingDirArg)
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print '(1x,a)', 'Geometry: '//IO_glueDiffering(CLI_geomFile,geometryArg)
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print '(1x,a)', 'Load case: '//IO_glueDiffering(CLI_loadFile,loadCaseArg)
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print '(1x,a)', 'Material config: '//IO_glueDiffering(CLI_materialFile,materialArg)
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print '(1x,a)', 'Solver job name: '//getSolverJobName()
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print'(/,1x,a,/)', 'Command line call: '//trim(commandLine)
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print'(1x,a)', 'Working directory: '//IO_glueDiffering(getCWD(),workingDirArg)
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print'(1x,a)', 'Geometry: '//IO_glueDiffering(CLI_geomFile,geomArg)
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print'(1x,a)', 'Load case: '//IO_glueDiffering(CLI_loadFile,loadArg)
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print'(1x,a)', 'Material config: '//IO_glueDiffering(CLI_materialFile,materialArg)
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print'(1x,a)', 'Solver job name: '//getSolverJobname()
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if (CLI_restartInc > 0) &
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print '(1x,a,i6.6)', 'Restart from increment: ', CLI_restartInc
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print'(1x,a,i6.6)', 'Restart from increment: ', CLI_restartInc
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end subroutine CLI_init
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!--------------------------------------------------------------------------------------------------
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!> @brief Get argument from command line.
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!--------------------------------------------------------------------------------------------------
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@ -242,7 +269,7 @@ subroutine setWorkingDirectory(workingDirectoryArg)
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workingDirectory = trim(normpath(workingDirectory))
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error = setCWD(trim(workingDirectory))
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if (error) then
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print '(1x,a)', 'ERROR: Invalid Working directory: '//trim(workingDirectory)
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print'(1x,a)', 'ERROR: Invalid Working directory: '//trim(workingDirectory)
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call quit(1)
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end if
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@ -250,26 +277,43 @@ end subroutine setWorkingDirectory
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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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!> @brief Return solver job name (MSC.Marc compatible).
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!--------------------------------------------------------------------------------------------------
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function getSolverJobName()
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function getSolverJobname()
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character(len=:), allocatable :: getSolverJobName
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integer :: posExt,posSep
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character(len=:), allocatable :: getSolverJobname
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posExt = scan(CLI_geomFile,'.',back=.true.)
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posSep = scan(CLI_geomFile,'/',back=.true.)
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getSolverJobname = solverJobname
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getSolverJobName = CLI_geomFile(posSep+1:posExt-1)
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end function getSolverJobname
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posExt = scan(CLI_loadFile,'.',back=.true.)
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posSep = scan(CLI_loadFile,'/',back=.true.)
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getSolverJobName = getSolverJobName//'_'//CLI_loadFile(posSep+1:posExt-1)
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!--------------------------------------------------------------------------------------------------
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!> @brief Determine solver job name.
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!--------------------------------------------------------------------------------------------------
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function jobname(geomFile,LoadFile,materialsFile,numericsFile)
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end function getSolverJobName
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character(len=:), allocatable :: jobname
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character(len=*), intent(in) :: geomFile,loadFile,materialsFile,numericsFile
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jobname = stem(geomFile)//'_'//stem(loadFile)//'_'//stem(materialsFile)
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if (len_trim(numericsFile) > 0) jobname = jobname//'_'//stem(numericsFile)
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contains
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function stem(fullname)
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character(len=:), allocatable :: stem
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character(len=*), intent(in) :: fullname
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stem = fullname(scan(fullname,'/',back=.true.)+1:scan(fullname,'.',back=.true.)-1)
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end function stem
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end function jobname
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!--------------------------------------------------------------------------------------------------
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@ -291,7 +335,7 @@ function getPathRelCWD(path,fileType)
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inquire(file=getPathRelCWD, exist=file_exists)
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if (.not. file_exists) then
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print '(1x,a)', 'ERROR: '//fileType//' file does not exist: '//trim(getPathRelCWD)
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print'(1x,a)', 'ERROR: '//fileType//' file does not exist: '//trim(getPathRelCWD)
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call quit(1)
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end if
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@ -68,11 +68,10 @@ end subroutine config_numerics_deallocate
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!--------------------------------------------------------------------------------------------------
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function config_listReferences(config,indent) result(references)
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type(tDict) :: config
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integer, optional :: indent
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type(tDict), intent(in) :: config
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integer, intent(in), optional :: indent
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character(len=:), allocatable :: references
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type(tList), pointer :: ref
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character(len=:), allocatable :: filler
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integer :: r
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|
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@ -97,13 +96,13 @@ end function config_listReferences
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine parse_material()
|
||||
|
||||
logical :: fileExists
|
||||
character(len=:), allocatable :: &
|
||||
fileContent, fname
|
||||
|
||||
|
||||
if (worldrank == 0) then
|
||||
print'(/,1x,a)', 'reading material configuration'; flush(IO_STDOUT)
|
||||
#if defined(MESH) || defined(GRID)
|
||||
#if defined(MESH) || defined(GRID)
|
||||
fname = CLI_materialFile
|
||||
#else
|
||||
fname = 'material.yaml'
|
||||
|
|
@ -126,23 +125,30 @@ end subroutine parse_material
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine parse_numerics()
|
||||
|
||||
logical :: fileExists
|
||||
character(len=:), allocatable :: fileContent
|
||||
character(len=:), allocatable :: &
|
||||
fileContent, fname
|
||||
logical :: parse
|
||||
|
||||
|
||||
config_numerics => emptyDict
|
||||
|
||||
inquire(file='numerics.yaml', exist=fileExists)
|
||||
if (fileExists) then
|
||||
#if defined(MESH) || defined(GRID)
|
||||
fname = CLI_numericsFile
|
||||
parse = len_trim(CLI_numericsFile) > 0
|
||||
#else
|
||||
fname = 'numerics.yaml'
|
||||
inquire(file=fname, exist=parse)
|
||||
#endif
|
||||
|
||||
if (parse) then
|
||||
|
||||
if (worldrank == 0) then
|
||||
print'(1x,a)', 'reading numerics.yaml'; flush(IO_STDOUT)
|
||||
fileContent = IO_read('numerics.yaml')
|
||||
if (len(fileContent) > 0) then
|
||||
call result_openJobFile(parallel=.false.)
|
||||
call result_writeDataset_str(fileContent,'setup','numerics.yaml','numerics configuration')
|
||||
call result_closeJobFile()
|
||||
end if
|
||||
print'(1x,a)', 'reading numerics configuration'; flush(IO_STDOUT)
|
||||
fileContent = IO_read(fname)
|
||||
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
|
||||
call result_openJobFile(parallel=.false.)
|
||||
call result_writeDataset_str(fileContent,'setup',fname,'numerics configuration')
|
||||
call result_closeJobFile()
|
||||
end if
|
||||
call parallelization_bcast_str(fileContent)
|
||||
|
||||
|
|
|
|||
Loading…
Reference in New Issue