diff --git a/PRIVATE b/PRIVATE index 9f4ffce8b..3c4052994 160000 --- a/PRIVATE +++ b/PRIVATE @@ -1 +1 @@ -Subproject commit 9f4ffce8b2df951191a14dc3229de1aee6e544e6 +Subproject commit 3c4052994318bf41620af2e4c8795f36cabc3645 diff --git a/src/CLI.f90 b/src/CLI.f90 index e38532268..cc0fec002 100644 --- a/src/CLI.f90 +++ b/src/CLI.f90 @@ -21,14 +21,16 @@ module CLI implicit none(type,external) private integer, public, protected :: & - CLI_restartInc = 0 !< Increment at which calculation starts + CLI_restartInc = 0 !< increment at which calculation starts character(len=:), allocatable, public, protected :: & - CLI_geomFile, & !< parameter given for geometry file - CLI_loadFile, & !< parameter given for load case file - CLI_materialFile + CLI_geomFile, & !< location of the geometry file + CLI_loadFile, & !< location of the load case file + CLI_materialFile, & !< location of the material configuration file + CLI_numericsFile, & !< location of the numerics configuration file + solverJobname public :: & - getSolverJobName, & + getSolverJobname, & CLI_init contains @@ -47,10 +49,11 @@ subroutine CLI_init() character(len=:), allocatable :: & commandLine, & !< command line call as string arg, & !< individual argument - loadCaseArg, & !< -l argument given to the executable - geometryArg, & !< -g argument given to the executable - materialArg, & !< -m argument given to the executable - workingDirArg !< -w argument given to the executable + geomArg, & !< -g CLI argument + loadArg, & !< -l CLI argument + materialArg, & !< -m CLI argument + numericsArg, & !< -n CLI argument + workingDirArg !< -w CLI argument integer :: & stat, & i @@ -62,94 +65,105 @@ subroutine CLI_init() workingDirArg = getCWD() - print '(/,1x,a)', '<<<+- CLI init -+>>>' + print'(/,1x,a)', '<<<+- CLI init -+>>>' ! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203 #ifdef DEBUG - print '(a)', achar(27)//'[31m' - print '(1x,a,/)', 'debug version - debug version - debug version - debug version - debug version' + print'(a)', achar(27)//'[31m' + print'(1x,a,/)', 'debug version - debug version - debug version - debug version - debug version' #else - print '(a)', achar(27)//'[94m' + print'(a)', achar(27)//'[94m' #endif - print '(1x,a)', ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/' - print '(1x,a)', ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/' - print '(1x,a)', ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/' - print '(1x,a)', ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/' - print '(1x,a)', '_/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/' + print'(1x,a)', ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/' + print'(1x,a)', ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/' + print'(1x,a)', ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/' + print'(1x,a)', ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/' + print'(1x,a)', '_/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/' #if defined(GRID) - print '(1x,a)', 'Grid solver' + print'(1x,a)', 'Grid solver' #elif defined(MESH) - print '(1x,a)', 'Mesh solver' + print'(1x,a)', 'Mesh solver' #endif #ifdef DEBUG - print '(/,1x,a)', 'debug version - debug version - debug version - debug version - debug version' + print'(/,1x,a)', 'debug version - debug version - debug version - debug version - debug version' #endif - print '(a)', achar(27)//'[0m' + print'(a)', achar(27)//'[0m' - print '(1x,a)', 'F. Roters et al., Computational Materials Science 158:420–478, 2019' - print '(1x,a)', 'https://doi.org/10.1016/j.commatsci.2018.04.030' + print'(1x,a)', 'F. Roters et al., Computational Materials Science 158:420–478, 2019' + print'(1x,a)', 'https://doi.org/10.1016/j.commatsci.2018.04.030' - print '(/,1x,a)', 'Version: '//DAMASKVERSION + print'(/,1x,a)', 'Version: '//DAMASKVERSION - print '(/,1x,a)', 'Compiled with: '//compiler_version() - print '(1x,a)', 'Compiled on: '//CMAKE_SYSTEM - print '(1x,a)', 'Compiler options: '//compiler_options() + print'(/,1x,a)', 'Compiled with: '//compiler_version() + print'(1x,a)', 'Compiled on: '//CMAKE_SYSTEM + print'(1x,a)', 'Compiler options: '//compiler_options() ! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md - print '(/,1x,a)', 'Compiled on: '//__DATE__//' at '//__TIME__ + print'(/,1x,a)', 'Compiled on: '//__DATE__//' at '//__TIME__ - print '(/,1x,a,1x,i0,a,i0,a,i0)', & + print'(/,1x,a,1x,i0,a,i0,a,i0)', & 'PETSc version:',PETSC_VERSION_MAJOR,'.',PETSC_VERSION_MINOR,'.',PETSC_VERSION_SUBMINOR call date_and_time(values = dateAndTime) - print '(/,1x,a,1x,2(i2.2,a),i4.4)', 'Date:',dateAndTime(3),'/',dateAndTime(2),'/',dateAndTime(1) - print '(1x,a,1x,2(i2.2,a),i2.2)', 'Time:',dateAndTime(5),':',dateAndTime(6),':',dateAndTime(7) + print'(/,1x,a,1x,2(i2.2,a),i4.4)', 'Date:',dateAndTime(3),'/',dateAndTime(2),'/',dateAndTime(1) + print'(1x,a,1x,2(i2.2,a),i2.2)', 'Time:',dateAndTime(5),':',dateAndTime(6),':',dateAndTime(7) do i = 1, command_argument_count() arg = getArg(i) select case(trim(arg)) ! extract key case ('-h','--help') - print '(/,1x,a)','#######################################################################' - print '(1x,a)', 'DAMASK Command Line Interface:' - print '(1x,a)', 'Düsseldorf Advanced Material Simulation Kit with PETSc-based solvers' - print '(1x,a,/)','#######################################################################' - print '(1x,a,/)','Valid command line switches:' - print '(1x,a)', ' --geom (-g, --geometry)' - print '(1x,a)', ' --load (-l, --loadcase)' - print '(1x,a)', ' --material (-m, --materialconfig)' - print '(1x,a)', ' --workingdir (-w, --wd, --workingdirectory)' - print '(1x,a)', ' --restart (-r, --rs)' - print '(1x,a)', ' --help (-h)' - print '(/,1x,a)','-----------------------------------------------------------------------' - print '(1x,a)', 'Mandatory arguments:' - print '(/,1x,a)',' --geom PathToGeomFile/NameOfGeom' - print '(1x,a)', ' Specifies the location of the geometry definition file.' - print '(/,1x,a)',' --load PathToLoadFile/NameOfLoadFile' - print '(1x,a)', ' Specifies the location of the load case definition file.' - print '(/,1x,a)',' --material PathToMaterialConfigurationFile/NameOfMaterialConfigurationFile' - print '(1x,a)', ' Specifies the location of the material configuration file.' - print '(/,1x,a)','-----------------------------------------------------------------------' - print '(1x,a)', 'Optional arguments:' - print '(/,1x,a)',' --workingdirectory PathToWorkingDirectory' - print '(1x,a)', ' Specifies the base directory of relative paths.' - print '(/,1x,a)',' --restart N' - print '(1x,a)', ' Reads in increment N and continues with calculating' - print '(1x,a)', ' increment N+1, N+2, ... based on this.' - print '(1x,a)', ' Appends to existing results file' - print '(1x,a)', ' "NameOfGeom_NameOfLoadFile_NameOfMaterialConfigurationFile.hdf5".' - print '(1x,a)', ' Works only if the restart information for increment N' - print '(1x,a)', ' is available in the base directory.' - print '(/,1x,a)','-----------------------------------------------------------------------' - print '(1x,a)', 'Help:' - print '(/,1x,a)',' --help' - print '(1x,a,/)',' Prints this message and exits' + print'(/,1x,a)','#######################################################################' + print'(1x,a)', 'DAMASK Command Line Interface:' + print'(1x,a)', 'Düsseldorf Advanced Material Simulation Kit with PETSc-based solvers' + print'(1x,a,/)','#######################################################################' + print'(1x,a,/)','Valid command line switches:' + print'(1x,a)', ' --geom (-g, --geometry)' + print'(1x,a)', ' --load (-l, --loadcase)' + print'(1x,a)', ' --material (-m, --materialconfig)' + print'(1x,a)', ' --numerics (-n, --numericsconfig)' + print'(1x,a)', ' --jobname (-j, --job)' + print'(1x,a)', ' --workingdir (-w, --wd, --workingdirectory)' + print'(1x,a)', ' --restart (-r, --rs)' + print'(1x,a)', ' --help (-h)' + print'(/,1x,a)','-----------------------------------------------------------------------' + print'(1x,a)', 'Mandatory arguments:' + print'(/,1x,a)',' --geom GEOMFILE' + print'(1x,a)', ' specify the file path of the geometry definition' + print'(/,1x,a)',' --load LOADFILE' + print'(1x,a)', ' specify the file path of the load case definition' + print'(/,1x,a)',' --material MATERIALFILE' + print'(1x,a)', ' specify the file path of the material configuration' + print'(/,1x,a)','-----------------------------------------------------------------------' + print'(1x,a)', 'Optional arguments:' + print'(/,1x,a)',' --numerics NUMERICSFILE' + print'(1x,a)', ' Specify the file path of the numerics configuration' + print'(/,1x,a)',' --jobname JOBNAME' + print'(1x,a)', ' specify the job name.' + print'(1x,a)', ' Defaults to GEOM_LOAD_MATERIAL[_NUMERICS].' + print'(/,1x,a)',' --workingdirectory WORKINGDIRECTORY' + print'(1x,a)', ' specify the base directory of relative paths.' + print'(1x,a)', ' Defaults to the current working directory' + print'(/,1x,a)',' --restart N' + print'(1x,a)', ' read in increment N and continues with calculating' + print'(1x,a)', ' increment N+1, N+2, ... based on this' + print'(1x,a)', ' works only if the restart information for increment N' + print'(1x,a)', ' is available in JOBNAME_restart.hdf5' + print'(1x,a)', ' append to existing results file JOBNAME.hdf5' + print'(/,1x,a)','-----------------------------------------------------------------------' + print'(1x,a)', 'Help:' + print'(/,1x,a)',' --help' + print'(1x,a,/)',' Prints this message and exits' call quit(0) ! normal Termination - case ('-l', '--load', '--loadcase') - loadCaseArg = getArg(i+1) case ('-g', '--geom', '--geometry') - geometryArg = getArg(i+1) + geomArg = getArg(i+1) + case ('-l', '--load', '--loadcase') + loadArg = getArg(i+1) case ('-m', '--material', '--materialconfig') materialArg = getArg(i+1) + case ('-n', '--numerics', '--numericsconfig') + numericsArg = getArg(i+1) + case ('-j', '--job', '--jobname') + solverJobname = getArg(i+1) case ('-w', '--wd', '--workingdir', '--workingdirectory') workingDirArg = getArg(i+1) case ('-r', '--rs', '--restart') @@ -162,33 +176,46 @@ subroutine CLI_init() end select end do - if (.not. all([allocated(loadcaseArg),allocated(geometryArg),allocated(materialArg)])) then - print '(/,1x,a)', 'ERROR: Please specify geometry AND load case AND material configuration (-h for help)' + if (.not. all([allocated(loadArg),allocated(geomArg),allocated(materialArg)])) then + print'(/,1x,a)', 'ERROR: Please specify geometry AND load case AND material configuration (-h for help)' call quit(1) end if call setWorkingDirectory(trim(workingDirArg)) - CLI_geomFile = getPathRelCWD(geometryArg,'geometry') - CLI_loadFile = getPathRelCWD(loadCaseArg,'load case') + CLI_geomFile = getPathRelCWD(geomArg,'geometry') + CLI_loadFile = getPathRelCWD(loadArg,'load case') CLI_materialFile = getPathRelCWD(materialArg,'material configuration') + if (allocated(numericsArg)) then + CLI_numericsFile = getPathRelCWD(numericsArg,'numerics configuration') + else + CLI_numericsFile = '' + endif + + if (.not. allocated(solverJobname)) then + solverJobname = jobname(CLI_geomFile,CLI_loadFile,CLI_materialFile,CLI_numericsFile) + elseif (scan(solverJobname,'/') > 0) then + print'(/,1x,a)', 'ERROR: JOBNAME must not contain any slashes' + call quit(1) + endif commandLine = getArg(-1) - print '(/,1x,a)', 'Host name: '//getHostName() - print '(1x,a)', 'User name: '//getUserName() + print'(/,1x,a)', 'Host name: '//getHostName() + print'(1x,a)', 'User name: '//getUserName() - print '(/,1x,a,/)', 'Command line call: '//trim(commandLine) - print '(1x,a)', 'Working directory: '//IO_glueDiffering(getCWD(),workingDirArg) - print '(1x,a)', 'Geometry: '//IO_glueDiffering(CLI_geomFile,geometryArg) - print '(1x,a)', 'Load case: '//IO_glueDiffering(CLI_loadFile,loadCaseArg) - print '(1x,a)', 'Material config: '//IO_glueDiffering(CLI_materialFile,materialArg) - print '(1x,a)', 'Solver job name: '//getSolverJobName() + print'(/,1x,a,/)', 'Command line call: '//trim(commandLine) + print'(1x,a)', 'Working directory: '//IO_glueDiffering(getCWD(),workingDirArg) + print'(1x,a)', 'Geometry: '//IO_glueDiffering(CLI_geomFile,geomArg) + print'(1x,a)', 'Load case: '//IO_glueDiffering(CLI_loadFile,loadArg) + print'(1x,a)', 'Material config: '//IO_glueDiffering(CLI_materialFile,materialArg) + print'(1x,a)', 'Solver job name: '//getSolverJobname() if (CLI_restartInc > 0) & - print '(1x,a,i6.6)', 'Restart from increment: ', CLI_restartInc + print'(1x,a,i6.6)', 'Restart from increment: ', CLI_restartInc end subroutine CLI_init + !-------------------------------------------------------------------------------------------------- !> @brief Get argument from command line. !-------------------------------------------------------------------------------------------------- @@ -242,7 +269,7 @@ subroutine setWorkingDirectory(workingDirectoryArg) workingDirectory = trim(normpath(workingDirectory)) error = setCWD(trim(workingDirectory)) if (error) then - print '(1x,a)', 'ERROR: Invalid Working directory: '//trim(workingDirectory) + print'(1x,a)', 'ERROR: Invalid Working directory: '//trim(workingDirectory) call quit(1) end if @@ -250,26 +277,43 @@ end subroutine setWorkingDirectory !-------------------------------------------------------------------------------------------------- -!> @brief solver job name (no extension) as combination of geometry and load case name +!> @brief Return solver job name (MSC.Marc compatible). !-------------------------------------------------------------------------------------------------- -function getSolverJobName() +function getSolverJobname() - character(len=:), allocatable :: getSolverJobName - - integer :: posExt,posSep + character(len=:), allocatable :: getSolverJobname - posExt = scan(CLI_geomFile,'.',back=.true.) - posSep = scan(CLI_geomFile,'/',back=.true.) + getSolverJobname = solverJobname - getSolverJobName = CLI_geomFile(posSep+1:posExt-1) +end function getSolverJobname - posExt = scan(CLI_loadFile,'.',back=.true.) - posSep = scan(CLI_loadFile,'/',back=.true.) - getSolverJobName = getSolverJobName//'_'//CLI_loadFile(posSep+1:posExt-1) +!-------------------------------------------------------------------------------------------------- +!> @brief Determine solver job name. +!-------------------------------------------------------------------------------------------------- +function jobname(geomFile,LoadFile,materialsFile,numericsFile) -end function getSolverJobName + character(len=:), allocatable :: jobname + character(len=*), intent(in) :: geomFile,loadFile,materialsFile,numericsFile + + + jobname = stem(geomFile)//'_'//stem(loadFile)//'_'//stem(materialsFile) + if (len_trim(numericsFile) > 0) jobname = jobname//'_'//stem(numericsFile) + + contains + + function stem(fullname) + + character(len=:), allocatable :: stem + character(len=*), intent(in) :: fullname + + + stem = fullname(scan(fullname,'/',back=.true.)+1:scan(fullname,'.',back=.true.)-1) + + end function stem + +end function jobname !-------------------------------------------------------------------------------------------------- @@ -291,7 +335,7 @@ function getPathRelCWD(path,fileType) inquire(file=getPathRelCWD, exist=file_exists) if (.not. file_exists) then - print '(1x,a)', 'ERROR: '//fileType//' file does not exist: '//trim(getPathRelCWD) + print'(1x,a)', 'ERROR: '//fileType//' file does not exist: '//trim(getPathRelCWD) call quit(1) end if diff --git a/src/config.f90 b/src/config.f90 index 9006839bf..e0b2dcdad 100644 --- a/src/config.f90 +++ b/src/config.f90 @@ -68,11 +68,10 @@ end subroutine config_numerics_deallocate !-------------------------------------------------------------------------------------------------- function config_listReferences(config,indent) result(references) - type(tDict) :: config - integer, optional :: indent + type(tDict), intent(in) :: config + integer, intent(in), optional :: indent character(len=:), allocatable :: references - type(tList), pointer :: ref character(len=:), allocatable :: filler integer :: r @@ -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)