DAMASK_EICMD/src/DAMASK_interface.f90

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!--------------------------------------------------------------------------------------------------
!> @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. Interpretating the command line arguments to get load case, geometry file,
!> and working directory.
!--------------------------------------------------------------------------------------------------
#define GCC_MIN 6
#define INTEL_MIN 1600
#define PETSC_MAJOR 3
#define PETSC_MINOR_MIN 10
#define PETSC_MINOR_MAX 12
module DAMASK_interface
use, intrinsic :: iso_fortran_env
use PETScSys
use prec
use system_routines
implicit none
private
logical, public, protected :: &
SIGTERM, & !< termination signal
SIGUSR1, & !< 1. user-defined signal
SIGUSR2 !< 2. user-defined signal
integer, public, protected :: &
interface_restartInc = 0 !< Increment at which calculation starts
character(len=1024), public, protected :: &
geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file
public :: &
getSolverJobName, &
DAMASK_interface_init, &
setSIGTERM, &
setSIGUSR1, &
setSIGUSR2
contains
!--------------------------------------------------------------------------------------------------
!> @brief initializes the solver by interpreting the command line arguments. Also writes
!! information on computation to screen
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init
#include <petsc/finclude/petscsys.h>
#if defined(__GFORTRAN__) && __GNUC__<GCC_MIN
===================================================================================================
----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
===================================================================================================
=============== THIS VERSION OF DAMASK REQUIRES A NEWER gfortran VERSION ======================
================== THIS VERSION OF DAMASK REQUIRES A NEWER gfortran VERSION ===================
===================== THIS VERSION OF DAMASK REQUIRES A NEWER gfortran VERSION ================
===================================================================================================
----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
===================================================================================================
#endif
#if defined(__INTEL_COMPILER) && __INTEL_COMPILER<INTEL_MIN
===================================================================================================
----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
===================================================================================================
================= THIS VERSION OF DAMASK REQUIRES A NEWER ifort VERSION =======================
==================== THIS VERSION OF DAMASK REQUIRES A NEWER ifort VERSION ====================
======================= THIS VERSION OF DAMASK REQUIRES A NEWER ifort VERSION =================
===================================================================================================
----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
===================================================================================================
#endif
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR<PETSC_MINOR_MIN || PETSC_VERSION_MINOR>PETSC_MINOR_MAX
===================================================================================================
-- WRONG PETSc VERSION --- WRONG PETSc VERSION --- WRONG PETSc VERSION --- WRONG PETSc VERSION --
===================================================================================================
============ THIS VERSION OF DAMASK REQUIRES A DIFFERENT PETSc VERSION ========================
=============== THIS VERSION OF DAMASK REQUIRES A DIFFERENT PETSc VERSION =====================
================== THIS VERSION OF DAMASK REQUIRES A DIFFERENT PETSc VERSION ==================
===================================================================================================
-- WRONG PETSc VERSION --- WRONG PETSc VERSION --- WRONG PETSc VERSION --- WRONG PETSc VERSION --
===================================================================================================
#endif
character(len=1024) :: &
commandLine, & !< command line call as string
arg, & !< individual argument
loadCaseArg = '', & !< -l argument given to the executable
geometryArg = '', & !< -g argument given to the executable
workingDirArg = '', & !< -w argument given to the executable
userName !< name of user calling the executable
integer :: &
stat, &
i, &
#ifdef _OPENMP
threadLevel, &
#endif
worldrank = 0, &
worldsize = 0, &
typeSize
integer, dimension(8) :: &
dateAndTime
integer :: mpi_err
PetscErrorCode :: petsc_err
external :: &
quit
open(6, encoding='UTF-8') ! for special characters in output
!--------------------------------------------------------------------------------------------------
! PETSc Init
#ifdef _OPENMP
! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
! Otherwise, the first call to PETSc will do the initialization.
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,mpi_err)
if (mpi_err /= 0) call quit(1)
if (threadLevel<MPI_THREAD_FUNNELED) then
write(6,'(/,a)') ' ERROR: MPI library does not support OpenMP'
call quit(1)
endif
#endif
call PETScInitializeNoArguments(petsc_err) ! according to PETSc manual, that should be the first line in the code
CHKERRQ(petsc_err) ! this is a macro definition, it is case sensitive
call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,mpi_err)
if (mpi_err /= 0) call quit(1)
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,mpi_err)
if (mpi_err /= 0) call quit(1)
mainProcess: if (worldrank == 0) then
if (output_unit /= 6) then
write(output_unit,'(/,a)') ' ERROR: STDOUT != 6'
call quit(1)
endif
if (error_unit /= 0) then
write(output_unit,'(/,a)') ' ERROR: STDERR != 0'
call quit(1)
endif
else mainProcess
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
endif mainProcess
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK
write(6,*) achar(27)//'[94m'
write(6,*) ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/'
write(6,*) ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/'
write(6,*) ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/'
write(6,*) ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
write(6,*) ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/'
write(6,*) achar(27)//'[0m'
write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420478, 2019'
write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
write(6,'(/,a)') ' Compiled with: '//compiler_version()
write(6,'(a)') ' Compiler options: '//compiler_options()
#elif defined(__INTEL_COMPILER)
write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE
#elif defined(__PGI)
write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
'.', __PGIC_MINOR__
#endif
write(6,'(/,a)') ' Compiled on: '//__DATE__//' at '//__TIME__
call date_and_time(values = dateAndTime)
write(6,'(/,a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',dateAndTime(2),'/', dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') ' Time: ',dateAndTime(5),':', dateAndTime(6),':', dateAndTime(7)
call MPI_Type_size(MPI_INTEGER,typeSize,mpi_err)
if (mpi_err /= 0) call quit(1)
if (typeSize*8 /= bit_size(0)) then
write(6,'(a)') ' Mismatch between MPI and DAMASK integer'
call quit(1)
endif
call MPI_Type_size(MPI_DOUBLE,typeSize,mpi_err)
if (mpi_err /= 0) call quit(1)
if (typeSize*8 /= storage_size(0.0_pReal)) then
write(6,'(a)') ' Mismatch between MPI and DAMASK real'
call quit(1)
endif
do i = 1, command_argument_count()
call get_command_argument(i,arg)
select case(trim(arg)) ! extract key
case ('-h','--help')
write(6,'(a)') ' #######################################################################'
write(6,'(a)') ' DAMASK Command Line Interface:'
write(6,'(a)') ' For PETSc-based solvers for the Düsseldorf Advanced Material Simulation Kit'
write(6,'(a,/)')' #######################################################################'
write(6,'(a,/)')' Valid command line switches:'
write(6,'(a)') ' --geom (-g, --geometry)'
write(6,'(a)') ' --load (-l, --loadcase)'
write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory, -d, --directory)'
write(6,'(a)') ' --restart (-r, --rs)'
write(6,'(a)') ' --help (-h)'
write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Mandatory arguments:'
write(6,'(/,a)')' --geom PathToGeomFile/NameOfGeom'
write(6,'(a)') ' Specifies the location of the geometry definition file.'
write(6,'(/,a)')' --load PathToLoadFile/NameOfLoadFile'
write(6,'(a)') ' Specifies the location of the load case definition file.'
write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Optional arguments:'
write(6,'(/,a)')' --workingdirectory PathToWorkingDirectory'
write(6,'(a)') ' Specifies the working directory and overwrites the default ./'
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 "debug.config" in that directory.'
write(6,'(/,a)')' --restart XX'
write(6,'(a)') ' Reads in increment XX and continues with calculating'
write(6,'(a)') ' increment XX+1 based on this.'
write(6,'(a)') ' Appends to existing results file'
write(6,'(a)') ' "NameOfGeom_NameOfLoadFile".'
write(6,'(a)') ' Works only if the restart information for increment XX'
write(6,'(a)') ' is available in the working directory.'
write(6,'(/,a)')' -----------------------------------------------------------------------'
write(6,'(a)') ' Help:'
write(6,'(/,a)')' --help'
write(6,'(a,/)')' Prints this message and exits'
call quit(0) ! normal Termination
case ('-l', '--load', '--loadcase')
call get_command_argument(i+1,loadCaseArg)
case ('-g', '--geom', '--geometry')
call get_command_argument(i+1,geometryArg)
case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory')
call get_command_argument(i+1,workingDirArg)
case ('-r', '--rs', '--restart')
call get_command_argument(i+1,arg)
read(arg,*,iostat=stat) interface_restartInc
if (interface_restartInc < 0 .or. stat /=0) then
write(6,'(/,a)') ' ERROR: Could not parse restart increment: '//trim(arg)
call quit(1)
endif
end select
enddo
if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then
write(6,'(/,a)') ' ERROR: Please specify geometry AND load case (-h for help)'
call quit(1)
endif
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
geometryFile = getGeometryFile(geometryArg)
loadCaseFile = getLoadCaseFile(loadCaseArg)
call get_command(commandLine)
call get_environment_variable('USER',userName)
! ToDo: https://stackoverflow.com/questions/8953424/how-to-get-the-username-in-c-c-in-linux
write(6,'(/,a,i4.1)') ' MPI processes: ',worldsize
write(6,'(a,a)') ' Host name: ', trim(getHostName())
write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(/a,a)') ' Command line call: ', trim(commandLine)
if (len(trim(workingDirArg)) > 0) &
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
write(6,'(a,a)') ' Geometry argument: ', trim(geometryArg)
write(6,'(a,a)') ' Load case argument: ', trim(loadcaseArg)
write(6,'(a,a)') ' Working directory: ', trim(getCWD())
write(6,'(a,a)') ' Geometry file: ', trim(geometryFile)
write(6,'(a,a)') ' Loadcase file: ', trim(loadCaseFile)
write(6,'(a,a)') ' Solver job name: ', trim(getSolverJobName())
if (interface_restartInc > 0) &
write(6,'(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 setSIGTERM(.false.)
call setSIGUSR1(.false.)
call 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=1024) :: workingDirectory !< working directory argument
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
write(6,'(/,a)') ' ERROR: Working directory "'//trim(workingDirectory)//'" does not exist'
call quit(1)
endif
end subroutine setWorkingDirectory
!--------------------------------------------------------------------------------------------------
!> @brief solver job name (no extension) as combination of geometry and load case name
!--------------------------------------------------------------------------------------------------
character(len=1024) function getSolverJobName()
integer :: posExt,posSep
posExt = scan(geometryFile,'.',back=.true.)
posSep = scan(geometryFile,'/',back=.true.)
getSolverJobName = geometryFile(posSep+1:posExt-1)
posExt = scan(loadCaseFile,'.',back=.true.)
posSep = scan(loadCaseFile,'/',back=.true.)
getSolverJobName = trim(getSolverJobName)//'_'//loadCaseFile(posSep+1:posExt-1)
end function getSolverJobName
!--------------------------------------------------------------------------------------------------
!> @brief basename of geometry file with extension from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getGeometryFile(geometryParameter)
character(len=1024), intent(in) :: geometryParameter
logical :: file_exists
external :: quit
getGeometryFile = trim(geometryParameter)
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile)
inquire(file=trim(getGeometryFile), exist=file_exists)
if (.not. file_exists) then
write(6,'(/,a)') ' ERROR: Geometry file does not exists ('//trim(getGeometryFile)//')'
call quit(1)
endif
end function getGeometryFile
!--------------------------------------------------------------------------------------------------
!> @brief relative path of loadcase from command line arguments
!--------------------------------------------------------------------------------------------------
character(len=1024) function getLoadCaseFile(loadCaseParameter)
character(len=1024), intent(in) :: loadCaseParameter
logical :: file_exists
external :: quit
getLoadCaseFile = trim(loadCaseParameter)
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile)
inquire(file=trim(getLoadCaseFile), exist=file_exists)
if (.not. file_exists) then
write(6,'(/,a)') ' 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=*) :: path
character(len=1024) :: 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 = '/'
end function rectifyPath
!--------------------------------------------------------------------------------------------------
!> @brief relative path from absolute a to absolute b
!--------------------------------------------------------------------------------------------------
character(len=1024) function makeRelativePath(a,b)
character (len=*), intent(in) :: a,b
character (len=1024) :: a_cleaned,b_cleaned
integer :: i,posLastCommonSlash,remainingSlashes
posLastCommonSlash = 0
remainingSlashes = 0
a_cleaned = rectifyPath(trim(a)//'/')
b_cleaned = rectifyPath(b)
do i = 1, min(1024,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 sets global variable SIGTERM to .true.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGTERM(signal) bind(C)
integer(C_INT), value :: signal
SIGTERM = .true.
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGTERM'
end subroutine catchSIGTERM
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGTERM
!--------------------------------------------------------------------------------------------------
subroutine setSIGTERM(state)
logical, intent(in) :: state
SIGTERM = state
end subroutine setSIGTERM
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR1 to .true.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR1(signal) bind(C)
integer(C_INT), value :: signal
SIGUSR1 = .true.
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGUSR1'
end subroutine catchSIGUSR1
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR1
!--------------------------------------------------------------------------------------------------
subroutine setSIGUSR1(state)
logical, intent(in) :: state
SIGUSR1 = state
end subroutine setSIGUSR1
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2
!--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR2(signal) bind(C)
integer(C_INT), value :: signal
SIGUSR2 = .true.
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGUSR2'
end subroutine catchSIGUSR2
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR2
!--------------------------------------------------------------------------------------------------
subroutine setSIGUSR2(state)
logical, intent(in) :: state
SIGUSR2 = state
end subroutine setSIGUSR2
end module