!-------------------------------------------------------------------------------------------------- !> @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 Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @brief Interfacing between the PETSc-based solvers and the material subroutines provided !! by DAMASK !> @details Interfacing between the PETSc-based solvers and the material subroutines provided !> by DAMASK. Interpreting the command line arguments to get load case, geometry file, !> and working directory. !-------------------------------------------------------------------------------------------------- #define PETSC_MAJOR 3 #define PETSC_MINOR_MIN 12 #define PETSC_MINOR_MAX 16 module DAMASK_interface use, intrinsic :: ISO_fortran_env use PETScSys use prec use parallelization use system_routines implicit none private logical, volatile, public, protected :: & interface_SIGTERM, & !< termination signal interface_SIGUSR1, & !< 1. user-defined signal interface_SIGUSR2 !< 2. user-defined signal integer, public, protected :: & interface_restartInc = 0 !< Increment at which calculation starts character(len=:), allocatable, public, protected :: & interface_geomFile, & !< parameter given for geometry file interface_loadFile !< parameter given for load case file public :: & getSolverJobName, & DAMASK_interface_init, & interface_setSIGTERM, & interface_setSIGUSR1, & interface_setSIGUSR2 contains !-------------------------------------------------------------------------------------------------- !> @brief initializes the solver by interpreting the command line arguments. Also writes !! information on computation to screen !-------------------------------------------------------------------------------------------------- subroutine DAMASK_interface_init #include #if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINORPETSC_MINOR_MAX -- UNSUPPORTED PETSc VERSION --- UNSUPPORTED PETSc VERSION --- UNSUPPORTED PETSc VERSION --- #endif character(len=pPathLen*3+pStringLen) :: & commandLine !< command line call as string character(len=pPathLen) :: & arg, & !< individual argument loadCaseArg = '', & !< -l argument given to the executable geometryArg = '', & !< -g argument given to the executable workingDirArg = '' !< -w argument given to the executable integer :: & stat, & i integer, dimension(8) :: & dateAndTime integer :: err external :: & quit print'(/,1x,a)', '<<<+- DAMASK_interface init -+>>>' if(worldrank == 0) open(OUTPUT_UNIT, encoding='UTF-8') ! for special characters in output ! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203 #ifdef DEBUG print*, achar(27)//'[31m' print'(a,/)', ' debug version - debug version - debug version - debug version - debug version' #else print*, achar(27)//'[94m' #endif print*, ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/' print*, ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/' print*, ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/' print*, ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/' print*, ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/' #if defined(GRID) print*, ' Grid solver' #elif defined(MESH) print*, ' Mesh solver' #endif #ifdef DEBUG print'(/,a)', ' debug version - debug version - debug version - debug version - debug version' #endif print*, achar(27)//'[0m' print*, 'F. Roters et al., Computational Materials Science 158:420–478, 2019' print*, 'https://doi.org/10.1016/j.commatsci.2018.04.030' print'(/,a)', ' Version: '//DAMASKVERSION print'(/,a)', ' Compiled with: '//compiler_version() print'(a)', ' Compiled on: '//CMAKE_SYSTEM print'(a)', ' Compiler options: '//compiler_options() ! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md print'(/,a)', ' Compiled on: '//__DATE__//' at '//__TIME__ print'(/,a,i0,a,i0,a,i0)', & ' PETSc version: ',PETSC_VERSION_MAJOR,'.',PETSC_VERSION_MINOR,'.',PETSC_VERSION_SUBMINOR call date_and_time(values = dateAndTime) print'(/,a,2(i2.2,a),i4.4)', ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1) print'(a,2(i2.2,a),i2.2)', ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7) do i = 1, command_argument_count() call get_command_argument(i,arg,status=err) if (err /= 0) call quit(1) select case(trim(arg)) ! extract key case ('-h','--help') print'(/,a)',' #######################################################################' print'(a)', ' DAMASK Command Line Interface:' print'(a)', ' Düsseldorf Advanced Material Simulation Kit with PETSc-based solvers' print'(a,/)',' #######################################################################' print'(a,/)',' Valid command line switches:' print'(a)', ' --geom (-g, --geometry)' print'(a)', ' --load (-l, --loadcase)' print'(a)', ' --workingdir (-w, --wd, --workingdirectory)' print'(a)', ' --restart (-r, --rs)' print'(a)', ' --help (-h)' print'(/,a)',' -----------------------------------------------------------------------' print'(a)', ' Mandatory arguments:' print'(/,a)',' --geom PathToGeomFile/NameOfGeom' print'(a)', ' Specifies the location of the geometry definition file.' print'(/,a)',' --load PathToLoadFile/NameOfLoadFile' print'(a)', ' Specifies the location of the load case definition file.' print'(/,a)',' -----------------------------------------------------------------------' print'(a)', ' Optional arguments:' print'(/,a)',' --workingdirectory PathToWorkingDirectory' print'(a)', ' Specifies the working directory and overwrites the default ./' print'(a)', ' Make sure the file "material.yaml" exists in the working' print'(a)', ' directory.' print'(a)', ' For further configuration place "numerics.yaml"' print'(a)',' and "debug.yaml" in that directory.' print'(/,a)',' --restart N' print'(a)', ' Reads in increment N and continues with calculating' print'(a)', ' increment N+1 based on this.' print'(a)', ' Appends to existing results file' print'(a)', ' "NameOfGeom_NameOfLoadFile.hdf5".' print'(a)', ' Works only if the restart information for increment N' print'(a)', ' is available in the working directory.' print'(/,a)',' -----------------------------------------------------------------------' print'(a)', ' Help:' print'(/,a)',' --help' print'(a,/)',' Prints this message and exits' call quit(0) ! normal Termination case ('-l', '--load', '--loadcase') call get_command_argument(i+1,loadCaseArg,status=err) case ('-g', '--geom', '--geometry') call get_command_argument(i+1,geometryArg,status=err) case ('-w', '--wd', '--workingdir', '--workingdirectory') call get_command_argument(i+1,workingDirArg,status=err) case ('-r', '--rs', '--restart') call get_command_argument(i+1,arg,status=err) read(arg,*,iostat=stat) interface_restartInc if (interface_restartInc < 0 .or. stat /=0) then print'(/,a)', ' ERROR: Could not parse restart increment: '//trim(arg) call quit(1) endif end select if (err /= 0) call quit(1) enddo if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then print'(/,a)', ' ERROR: Please specify geometry AND load case (-h for help)' call quit(1) endif if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg)) interface_geomFile = getGeometryFile(geometryArg) interface_loadFile = getLoadCaseFile(loadCaseArg) call get_command(commandLine) print'(/,a)', ' Host name: '//getHostName() print'(a)', ' User name: '//getUserName() print'(/a)', ' Command line call: '//trim(commandLine) if (len_trim(workingDirArg) > 0) & print'(a)', ' Working dir argument: '//trim(workingDirArg) print'(a)', ' Geometry argument: '//trim(geometryArg) print'(a)', ' Load case argument: '//trim(loadcaseArg) print'(/,a)', ' Working directory: '//getCWD() print'(a)', ' Geometry file: '//interface_geomFile print'(a)', ' Load case file: '//interface_loadFile print'(a)', ' Solver job name: '//getSolverJobName() if (interface_restartInc > 0) & print'(a,i6.6)', ' Restart from increment: ', interface_restartInc call signalterm_c(c_funloc(catchSIGTERM)) call signalusr1_c(c_funloc(catchSIGUSR1)) call signalusr2_c(c_funloc(catchSIGUSR2)) call interface_setSIGTERM(.false.) call interface_setSIGUSR1(.false.) call interface_setSIGUSR2(.false.) end subroutine DAMASK_interface_init !-------------------------------------------------------------------------------------------------- !> @brief extract working directory from given argument or from location of geometry file, !! possibly converting relative arguments to absolut path !-------------------------------------------------------------------------------------------------- subroutine setWorkingDirectory(workingDirectoryArg) character(len=*), intent(in) :: workingDirectoryArg !< working directory argument character(len=:), allocatable :: workingDirectory logical :: error external :: quit absolutePath: if (workingDirectoryArg(1:1) == '/') then workingDirectory = workingDirectoryArg else absolutePath workingDirectory = getCWD() workingDirectory = trim(workingDirectory)//'/'//workingDirectoryArg endif absolutePath workingDirectory = trim(rectifyPath(workingDirectory)) error = setCWD(trim(workingDirectory)) if(error) then print*, 'ERROR: Invalid Working directory: '//trim(workingDirectory) call quit(1) endif end subroutine setWorkingDirectory !-------------------------------------------------------------------------------------------------- !> @brief solver job name (no extension) as combination of geometry and load case name !-------------------------------------------------------------------------------------------------- function getSolverJobName() character(len=:), allocatable :: getSolverJobName integer :: posExt,posSep posExt = scan(interface_geomFile,'.',back=.true.) posSep = scan(interface_geomFile,'/',back=.true.) getSolverJobName = interface_geomFile(posSep+1:posExt-1) posExt = scan(interface_loadFile,'.',back=.true.) posSep = scan(interface_loadFile,'/',back=.true.) getSolverJobName = getSolverJobName//'_'//interface_loadFile(posSep+1:posExt-1) end function getSolverJobName !-------------------------------------------------------------------------------------------------- !> @brief basename of geometry file with extension from command line arguments !-------------------------------------------------------------------------------------------------- function getGeometryFile(geometryParameter) character(len=:), allocatable :: getGeometryFile character(len=*), intent(in) :: geometryParameter logical :: file_exists external :: quit getGeometryFile = trim(geometryParameter) if (scan(getGeometryFile,'/') /= 1) getGeometryFile = getCWD()//'/'//trim(getGeometryFile) getGeometryFile = trim(makeRelativePath(getCWD(), getGeometryFile)) inquire(file=getGeometryFile, exist=file_exists) if (.not. file_exists) then print*, 'ERROR: Geometry file does not exists: '//trim(getGeometryFile) call quit(1) endif end function getGeometryFile !-------------------------------------------------------------------------------------------------- !> @brief relative path of load case from command line arguments !-------------------------------------------------------------------------------------------------- function getLoadCaseFile(loadCaseParameter) character(len=:), allocatable :: getLoadCaseFile character(len=*), intent(in) :: loadCaseParameter logical :: file_exists external :: quit getLoadCaseFile = trim(loadCaseParameter) if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = getCWD()//'/'//trim(getLoadCaseFile) getLoadCaseFile = trim(makeRelativePath(getCWD(), getLoadCaseFile)) inquire(file=getLoadCaseFile, exist=file_exists) if (.not. file_exists) then print*, 'ERROR: Load case file does not exists: '//trim(getLoadCaseFile) call quit(1) endif end function getLoadCaseFile !-------------------------------------------------------------------------------------------------- !> @brief remove ../, /./, and // from path. !> @details works only if absolute path is given !-------------------------------------------------------------------------------------------------- function rectifyPath(path) character(len=*), intent(in) :: path character(len=:), allocatable :: rectifyPath integer :: i,j,k,l !-------------------------------------------------------------------------------------------------- ! remove /./ from path rectifyPath = trim(path) l = len_trim(rectifyPath) do i = l,3,-1 if (rectifyPath(i-2:i) == '/./') rectifyPath(i-1:l) = rectifyPath(i+1:l)//' ' enddo !-------------------------------------------------------------------------------------------------- ! remove // from path l = len_trim(rectifyPath) do i = l,2,-1 if (rectifyPath(i-1:i) == '//') rectifyPath(i-1:l) = rectifyPath(i:l)//' ' enddo !-------------------------------------------------------------------------------------------------- ! remove ../ and corresponding directory from rectifyPath l = len_trim(rectifyPath) i = index(rectifyPath(i:l),'../') j = 0 do while (i > j) j = scan(rectifyPath(1:i-2),'/',back=.true.) rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j) if (rectifyPath(j+1:j+1) == '/') then !search for '//' that appear in case of XXX/../../XXX k = len_trim(rectifyPath) rectifyPath(j+1:k-1) = rectifyPath(j+2:k) rectifyPath(k:k) = ' ' endif i = j+index(rectifyPath(j+1:l),'../') enddo if(len_trim(rectifyPath) == 0) rectifyPath = '/' rectifyPath = trim(rectifyPath) end function rectifyPath !-------------------------------------------------------------------------------------------------- !> @brief Determine relative path from absolute a to absolute b !-------------------------------------------------------------------------------------------------- function makeRelativePath(a,b) character(len=*), intent(in) :: a,b character(len=pPathLen) :: a_cleaned,b_cleaned character(len=:), allocatable :: makeRelativePath integer :: i,posLastCommonSlash,remainingSlashes posLastCommonSlash = 0 remainingSlashes = 0 a_cleaned = rectifyPath(trim(a)//'/') b_cleaned = rectifyPath(b) do i = 1, min(len_trim(a_cleaned),len_trim(rectifyPath(b_cleaned))) if (a_cleaned(i:i) /= b_cleaned(i:i)) exit if (a_cleaned(i:i) == '/') posLastCommonSlash = i enddo do i = posLastCommonSlash+1,len_trim(a_cleaned) if (a_cleaned(i:i) == '/') remainingSlashes = remainingSlashes + 1 enddo makeRelativePath = repeat('..'//'/',remainingSlashes)//b_cleaned(posLastCommonSlash+1:len_trim(b_cleaned)) end function makeRelativePath !-------------------------------------------------------------------------------------------------- !> @brief Set global variable interface_SIGTERM to .true. !> @details This function can be registered to catch signals send to the executable. !-------------------------------------------------------------------------------------------------- subroutine catchSIGTERM(signal) bind(C) integer(C_INT), value :: signal print'(a,i0)', ' received signal ',signal call interface_setSIGTERM(.true.) end subroutine catchSIGTERM !-------------------------------------------------------------------------------------------------- !> @brief Set global variable interface_SIGUSR1 to .true. !> @details This function can be registered to catch signals send to the executable. !-------------------------------------------------------------------------------------------------- subroutine catchSIGUSR1(signal) bind(C) integer(C_INT), value :: signal print'(a,i0)', ' received signal ',signal call interface_setSIGUSR1(.true.) end subroutine catchSIGUSR1 !-------------------------------------------------------------------------------------------------- !> @brief Set global variable interface_SIGUSR2 to .true. !> @details This function can be registered to catch signals send to the executable. !-------------------------------------------------------------------------------------------------- subroutine catchSIGUSR2(signal) bind(C) integer(C_INT), value :: signal print'(a,i0,a)', ' received signal ',signal call interface_setSIGUSR2(.true.) end subroutine catchSIGUSR2 !-------------------------------------------------------------------------------------------------- !> @brief Set global variable interface_SIGTERM. !-------------------------------------------------------------------------------------------------- subroutine interface_setSIGTERM(state) logical, intent(in) :: state interface_SIGTERM = state print*, 'set SIGTERM to',state end subroutine interface_setSIGTERM !-------------------------------------------------------------------------------------------------- !> @brief Set global variable interface_SIGUSR. !-------------------------------------------------------------------------------------------------- subroutine interface_setSIGUSR1(state) logical, intent(in) :: state interface_SIGUSR1 = state print*, 'set SIGUSR1 to',state end subroutine interface_setSIGUSR1 !-------------------------------------------------------------------------------------------------- !> @brief Set global variable interface_SIGUSR2. !-------------------------------------------------------------------------------------------------- subroutine interface_setSIGUSR2(state) logical, intent(in) :: state interface_SIGUSR2 = state print*, 'set SIGUSR2 to',state end subroutine interface_setSIGUSR2 end module