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DAMASK_EICMD
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DAMASK_EICMD/src/DAMASK_interface.f90

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fix for 03aebdf958908e43fdddda42d2e99ca4af92d546
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!--------------------------------------------------------------------------------------------------
unfified interface for spectral and FEM solver Note: extension to load case and geometry is not added automatically anymore!
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!> @author Jaeyong Jung, Max-Planck-Institut für Eisenforschung GmbH
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
fix for 03aebdf958908e43fdddda42d2e99ca4af92d546
2016-09-21 01:08:18 +05:30
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
added funtionality to specify working directory to spectral solver
2013-01-02 22:32:12 +05:30
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
unfified interface for spectral and FEM solver Note: extension to load case and geometry is not added automatically anymore!
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!> @brief Interfacing between the PETSc-based solvers and the material subroutines provided
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!! by DAMASK
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!> @details Interfacing between the PETSc-based solvers and the material subroutines provided
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!> by DAMASK. Interpretating the command line arguments to get load case, geometry file,
outdated description
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!> and working directory.
simplified multi processor (MPI) reporting
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!--------------------------------------------------------------------------------------------------
easier to adjust to new versions
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#define GCC_MIN 6
cleaning
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#define INTEL_MIN 1700
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#define PETSC_MAJOR 3
#define PETSC_MINOR_MIN 10
tests for re-ordered systems + new PETSc 3.11
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#define PETSC_MINOR_MAX 12
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added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
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module DAMASK_interface
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use, intrinsic :: iso_fortran_env
use PETScSys
use cascaded use statements
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use prec
use system_routines
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implicit none
private
logical, public, protected :: &
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SIGTERM, & !< termination signal
SIGUSR1, & !< 1. user-defined signal
SIGUSR2 !< 2. user-defined signal
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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, &
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DAMASK_interface_init, &
setSIGTERM, &
setSIGUSR1, &
setSIGUSR2
one implicit none is enough
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added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
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contains
!--------------------------------------------------------------------------------------------------
added new, flexible debugging scheme. now all modules have their own debug specification. compiles and runs, I hope nothing is broken did a lot of polishing
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!> @brief initializes the solver by interpreting the command line arguments. Also writes
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
!! information on computation to screen
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
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!--------------------------------------------------------------------------------------------------
CLI options not used to control PETSc
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subroutine DAMASK_interface_init
employing use statements (almost no external functions anymore) adopted function calls to newer PETSc versions
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#include <petsc/finclude/petscsys.h>
using correct comparison -MIN is the minimum version that works -MAX is the maximum version that works
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#if defined(__GFORTRAN__) && __GNUC__<GCC_MIN
check prerequisites as early as possible
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===================================================================================================
easier to adjust to new versions
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----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
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===================================================================================================
easier to adjust to new versions
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=============== 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 ================
check prerequisites as early as possible
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===================================================================================================
easier to adjust to new versions
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----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
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===================================================================================================
#endif
using correct comparison -MIN is the minimum version that works -MAX is the maximum version that works
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#if defined(__INTEL_COMPILER) && __INTEL_COMPILER<INTEL_MIN
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===================================================================================================
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----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
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===================================================================================================
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================= 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 =================
check prerequisites as early as possible
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===================================================================================================
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----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION ----- WRONG COMPILER VERSION -----
check prerequisites as early as possible
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===================================================================================================
#endif
using correct comparison -MIN is the minimum version that works -MAX is the maximum version that works
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#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR<PETSC_MINOR_MIN || PETSC_VERSION_MINOR>PETSC_MINOR_MAX
more verbose error
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===================================================================================================
allow to specify min and max of PETSc separately
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-- WRONG PETSc VERSION --- WRONG PETSc VERSION --- WRONG PETSc VERSION --- WRONG PETSc VERSION --
more verbose error
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===================================================================================================
allow to specify min and max of PETSc separately
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============ 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 ==================
more verbose error
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===================================================================================================
allow to specify min and max of PETSc separately
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-- WRONG PETSc VERSION --- WRONG PETSc VERSION --- WRONG PETSc VERSION --- WRONG PETSc VERSION --
employing use statements (almost no external functions anymore) adopted function calls to newer PETSc versions
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===================================================================================================
#endif
check prerequisites as early as possible
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no need to use pInt here
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character(len=1024) :: &
commandLine, & !< command line call as string
better use intrinsic F2003 features
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arg, & !< individual argument
loadCaseArg = '', & !< -l argument given to the executable
no need to use pInt here
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geometryArg = '', & !< -g argument given to the executable
workingDirArg = '', & !< -w argument given to the executable
userName !< name of user calling the executable
integer :: &
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stat, &
no need to use pInt here
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i, &
compiler complained
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#ifdef _OPENMP
no need to use pInt here
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threadLevel, &
compiler complained
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#endif
no need to use pInt here
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worldrank = 0, &
same reporting style, more error checks
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worldsize = 0, &
typeSize
no need to use pInt here
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integer, dimension(8) :: &
dateAndTime
same reporting style, more error checks
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integer :: mpi_err
PetscErrorCode :: petsc_err
no need to use pInt here
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external :: &
quit
open(6, encoding='UTF-8') ! for special characters in output
disabling stdout for MPIrank>0 now working for ifort:
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reordered PETSc initialization (now first part done in interface, setting of parameters done in numerics), removed unnecessary includes for PETSc still not running with gfortran, use at own risk!
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!--------------------------------------------------------------------------------------------------
! PETSc Init
typo, cause wrong finalization sequence
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#ifdef _OPENMP
no need to use pInt here
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! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
! Otherwise, the first call to PETSc will do the initialization.
same reporting style, more error checks
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call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,mpi_err)
if (mpi_err /= 0) call quit(1)
no need to use pInt here
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if (threadLevel<MPI_THREAD_FUNNELED) then
errors better visible
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write(6,'(/,a)') ' ERROR: MPI library does not support OpenMP'
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call quit(1)
endif
request thread aware MPI when using openMP
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#endif
CLI options not used to control PETSc
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call PETScInitializeNoArguments(petsc_err) ! according to PETSc manual, that should be the first line in the code
same reporting style, more error checks
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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)
no need to use pInt here
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mainProcess: if (worldrank == 0) then
if (output_unit /= 6) then
errors better visible
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write(output_unit,'(/,a)') ' ERROR: STDOUT != 6'
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call quit(1)
endif
if (error_unit /= 0) then
errors better visible
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write(output_unit,'(/,a)') ' ERROR: STDERR != 0'
no need to use pInt here
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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 -+>>>'
Decided on one DAMASK logo
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! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK
[skip ci] with DAMASK ASCII art
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write(6,*) achar(27)//'[94m'
write(6,*) ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/'
write(6,*) ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/'
write(6,*) ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/'
write(6,*) ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
write(6,*) ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/'
write(6,*) achar(27)//'[0m'
[skip ci] corrected year
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write(6,'(/,a)') ' Roters et al., Computational Materials Science 158:420–478, 2019'
same reporting style, more error checks
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write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2018.04.030'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
no need to use pInt here
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! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
avoid disturbing reporting
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#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
[skip ci] with DAMASK ASCII art
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write(6,'(/,a)') ' Compiled with: '//compiler_version()
write(6,'(a)') ' Compiler options: '//compiler_options()
avoid disturbing reporting
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#elif defined(__INTEL_COMPILER)
same reporting style, more error checks
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write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with Intel fortran version :', __INTEL_COMPILER,&
', build date :', __INTEL_COMPILER_BUILD_DATE
avoid disturbing reporting
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#elif defined(__PGI)
same reporting style, more error checks
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write(6,'(a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
'.', __PGIC_MINOR__
avoid disturbing reporting
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#endif
same reporting style, more error checks
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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)
no need to use pInt here
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same reporting style, more error checks
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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
no need to use pInt here
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better use intrinsic F2003 features
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do i = 1, command_argument_count()
call get_command_argument(i,arg)
select case(trim(arg)) ! extract key
no need to use pInt here
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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')
better use intrinsic F2003 features
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call get_command_argument(i+1,loadCaseArg)
no need to use pInt here
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case ('-g', '--geom', '--geometry')
better use intrinsic F2003 features
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call get_command_argument(i+1,geometryArg)
no need to use pInt here
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case ('-w', '-d', '--wd', '--directory', '--workingdir', '--workingdirectory')
better use intrinsic F2003 features
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call get_command_argument(i+1,workingDirArg)
no need to use pInt here
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case ('-r', '--rs', '--restart')
better use intrinsic F2003 features
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call get_command_argument(i+1,arg)
read(arg,*,iostat=stat) interface_restartInc
if (interface_restartInc < 0 .or. stat /=0) then
errors better visible
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write(6,'(/,a)') ' ERROR: Could not parse restart increment: '//trim(arg)
better use intrinsic F2003 features
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call quit(1)
no need to use pInt here
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endif
end select
enddo
if (len_trim(loadcaseArg) == 0 .or. len_trim(geometryArg) == 0) then
errors better visible
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write(6,'(/,a)') ' ERROR: Please specify geometry AND load case (-h for help)'
no need to use pInt here
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call quit(1)
endif
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
geometryFile = getGeometryFile(geometryArg)
loadCaseFile = getLoadCaseFile(loadCaseArg)
better use intrinsic F2003 features
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call get_command(commandLine)
no need to use pInt here
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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
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
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!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.)
signal handling implemented allows to trigger action in running simulation, i.e. writing restart or results
2019-02-11 23:16:14 +05:30
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
end subroutine DAMASK_interface_init
started to implement restart facilities for spectral solver. restart write is on per default restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart setting INT to a value <1 will turn restart write off
2011-11-04 01:02:11 +05:30
added funtionality to specify working directory to spectral solver
2013-01-02 22:32:12 +05:30
first commit.
2018-06-18 19:49:03 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief extract working directory from given argument or from location of geometry file,
!! possibly converting relative arguments to absolut path
!--------------------------------------------------------------------------------------------------
[skip sc] [skip ci] simplified interfacing
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subroutine setWorkingDirectory(workingDirectoryArg)
no need to use pInt here
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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
errors better visible
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write(6,'(/,a)') ' ERROR: Working directory "'//trim(workingDirectory)//'" does not exist'
no need to use pInt here
2019-03-06 20:17:48 +05:30
call quit(1)
endif
added funtionality to specify working directory to spectral solver
2013-01-02 22:32:12 +05:30
[skip sc] [skip ci] simplified interfacing
2018-08-21 02:44:34 +05:30
end subroutine setWorkingDirectory
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
started to implement restart facilities for spectral solver. restart write is on per default restart read is switched on by using --restart or -r INT where INT gives step at which the calculation should restart setting INT to a value <1 will turn restart write off
2011-11-04 01:02:11 +05:30
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
!--------------------------------------------------------------------------------------------------
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
!> @brief solver job name (no extension) as combination of geometry and load case name
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
!--------------------------------------------------------------------------------------------------
character(len=1024) function getSolverJobName()
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
integer :: posExt,posSep
now getting path separator by counting slashes and backslashes in $PATH environment variable
2012-02-21 21:34:16 +05:30
simplified
2019-05-09 12:03:12 +05:30
posExt = scan(geometryFile,'.',back=.true.)
posSep = scan(geometryFile,'/',back=.true.)
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
simplified
2019-05-09 12:03:12 +05:30
getSolverJobName = geometryFile(posSep+1:posExt-1)
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
simplified
2019-05-09 12:03:12 +05:30
posExt = scan(loadCaseFile,'.',back=.true.)
posSep = scan(loadCaseFile,'/',back=.true.)
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
simplified
2019-05-09 12:03:12 +05:30
getSolverJobName = trim(getSolverJobName)//'_'//loadCaseFile(posSep+1:posExt-1)
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
end function getSolverJobName
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
!--------------------------------------------------------------------------------------------------
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
!> @brief basename of geometry file with extension from command line arguments
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
!--------------------------------------------------------------------------------------------------
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
character(len=1024) function getGeometryFile(geometryParameter)
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
character(len=1024), intent(in) :: geometryParameter
logical :: file_exists
external :: quit
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
getGeometryFile = trim(geometryParameter)
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = trim(getCWD())//'/'//trim(getGeometryFile)
getGeometryFile = makeRelativePath(trim(getCWD()), getGeometryFile)
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
inquire(file=trim(getGeometryFile), exist=file_exists)
if (.not. file_exists) then
errors better visible
2019-05-04 21:17:52 +05:30
write(6,'(/,a)') ' ERROR: Geometry file does not exists ('//trim(getGeometryFile)//')'
no need to use pInt here
2019-03-06 20:17:48 +05:30
call quit(1)
endif
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
end function getGeometryFile
mpie_spectral and mpie_interface: changed workingdir from pathToLoadFile to pathToGeomFile mpie_spectral and numerics: added switch to prevent pre calculation of gamma_hat. slower, but saves memory 3Dvisualize: started to add support for gmsh (not fully working yet) reconstruct: new version of f2py/Fortran subroutines for output of results from spectral method
2011-02-07 20:05:42 +05:30
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief relative path of loadcase from command line arguments
!--------------------------------------------------------------------------------------------------
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
character(len=1024) function getLoadCaseFile(loadCaseParameter)
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
character(len=1024), intent(in) :: loadCaseParameter
logical :: file_exists
external :: quit
introduced preprocessor statements in mesh to hide unneeded variables as a preparation for HDF5
2013-12-28 01:33:28 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
getLoadCaseFile = trim(loadCaseParameter)
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = trim(getCWD())//'/'//trim(getLoadCaseFile)
getLoadCaseFile = makeRelativePath(trim(getCWD()), getLoadCaseFile)
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
inquire(file=trim(getLoadCaseFile), exist=file_exists)
if (.not. file_exists) then
errors better visible
2019-05-04 21:17:52 +05:30
write(6,'(/,a)') ' ERROR: Load case file does not exists ('//trim(getLoadCaseFile)//')'
no need to use pInt here
2019-03-06 20:17:48 +05:30
call quit(1)
endif
clean exit if required files not found
2018-09-15 18:24:56 +05:30
introduced preprocessor identifiers Marc, Abaqus, and Spectral to enable conditional compilation. This allows deleted dummy functions that are used by one solver only. Mainly affected modules are IO and mesh. Most of the changes in mesh result from reordering the functions when grouping them depending on their solver. Further advantage is that FE solver do not need FFTW and kdtree2 anymore. The include files for these two libraries moved to DAMASKROO/lib now as I figured out how to use a include path in the Makefile. Put all the files I got when testing compilation with abaqus in a folder which to become the abaqus compilation test.
2012-06-15 21:40:21 +05:30
end function getLoadCaseFile
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
!--------------------------------------------------------------------------------------------------
cleanding and simplifying 1) arguments are case sensitive, i.e. -H is NOT -h 2) don't rely on trailing '/' for working dir 3) when adding '/' to working dir, rectify path should take care of '//'
2018-07-10 13:53:21 +05:30
!> @brief remove ../, /./, and // from path.
the working directory and pathes of load and geometry files are now consistent.
2018-06-29 19:06:12 +05:30
!> @details works only if absolute path is given
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
!--------------------------------------------------------------------------------------------------
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
function rectifyPath(path)
same reporting style, more error checks
2019-03-09 15:19:56 +05:30
character(len=*) :: path
no need to use pInt here
2019-03-06 20:17:48 +05:30
character(len=1024) :: rectifyPath
integer :: i,j,k,l
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
fixed bug when having . at end of directory name, added check to see if the specified working directory exists
2013-05-13 19:40:48 +05:30
!--------------------------------------------------------------------------------------------------
! remove /./ from path
no need to use pInt here
2019-03-06 20:17:48 +05:30
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
cleanding and simplifying 1) arguments are case sensitive, i.e. -H is NOT -h 2) don't rely on trailing '/' for working dir 3) when adding '/' to working dir, rectify path should take care of '//'
2018-07-10 13:53:21 +05:30
!--------------------------------------------------------------------------------------------------
! remove // from path
no need to use pInt here
2019-03-06 20:17:48 +05:30
l = len_trim(rectifyPath)
do i = l,2,-1
if (rectifyPath(i-1:i) == '//') rectifyPath(i-1:l) = rectifyPath(i:l)//' '
enddo
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
fixed bug when having . at end of directory name, added check to see if the specified working directory exists
2013-05-13 19:40:48 +05:30
!--------------------------------------------------------------------------------------------------
! remove ../ and corresponding directory from rectifyPath
no need to use pInt here
2019-03-06 20:17:48 +05:30
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 = '/'
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
end function rectifyPath
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief relative path from absolute a to absolute b
!--------------------------------------------------------------------------------------------------
character(len=1024) function makeRelativePath(a,b)
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
character (len=*), intent(in) :: a,b
character (len=1024) :: a_cleaned,b_cleaned
integer :: i,posLastCommonSlash,remainingSlashes
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
posLastCommonSlash = 0
remainingSlashes = 0
a_cleaned = rectifyPath(trim(a)//'/')
b_cleaned = rectifyPath(b)
now getting path separator by counting slashes and backslashes in $PATH environment variable
2012-02-21 21:34:16 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
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
cleanding and simplifying 1) arguments are case sensitive, i.e. -H is NOT -h 2) don't rely on trailing '/' for working dir 3) when adding '/' to working dir, rectify path should take care of '//'
2018-07-10 13:53:21 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
makeRelativePath = repeat('..'//'/',remainingSlashes)//b_cleaned(posLastCommonSlash+1:len_trim(b_cleaned))
shape mismatch in crystallite, invalid names for variables(pos, size) in homogenization corrected. polishing of DAMASK_spectral_interface and makefile
2011-08-01 23:40:55 +05:30
added error for to IO to substitute stop statement in kdtree2 explicitly defined all functions in as either public or private in the modules to have a quick overview on all functions and parameters that are available
2012-03-06 20:22:48 +05:30
end function makeRelativePath
added fftw3 as fft(library will not versioned, should be in a linkable folder) , did some corrections on the code, splitted main file up (allows use of makefile), added makefile changes on mpie_spectral.f90: new structure, changed variable names, now using defgrad instead of disgrad, cleaned up, removed augmented Lagrange. ToDo: Implement Augmented Lagrange again (but then a working version), implement Large strain, think about complex-to real-transform backwards, try to implement MP-support
2010-08-27 22:09:38 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
signal handling implemented allows to trigger action in running simulation, i.e. writing restart or results
2019-02-11 23:16:14 +05:30
!--------------------------------------------------------------------------------------------------
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
2019-03-24 16:29:00 +05:30
!> @brief sets global variable SIGTERM to .true.
signal handling implemented allows to trigger action in running simulation, i.e. writing restart or results
2019-02-11 23:16:14 +05:30
!--------------------------------------------------------------------------------------------------
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
2019-03-24 16:29:00 +05:30
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)
no need to use pInt here
2019-03-06 20:17:48 +05:30
integer(C_INT), value :: signal
SIGUSR1 = .true.
general cleaning
2019-03-09 05:37:26 +05:30
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGUSR1'
no need to use pInt here
2019-03-06 20:17:48 +05:30
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
2019-03-24 16:29:00 +05:30
end subroutine catchSIGUSR1
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR1
!--------------------------------------------------------------------------------------------------
subroutine setSIGUSR1(state)
logical, intent(in) :: state
SIGUSR1 = state
signal handling implemented allows to trigger action in running simulation, i.e. writing restart or results
2019-02-11 23:16:14 +05:30
end subroutine setSIGUSR1
no need to use pInt here
2019-03-06 20:17:48 +05:30
signal handling implemented allows to trigger action in running simulation, i.e. writing restart or results
2019-02-11 23:16:14 +05:30
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR2 to .true. if program receives SIGUSR2
!--------------------------------------------------------------------------------------------------
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
2019-03-24 16:29:00 +05:30
subroutine catchSIGUSR2(signal) bind(C)
signal handling implemented allows to trigger action in running simulation, i.e. writing restart or results
2019-02-11 23:16:14 +05:30
no need to use pInt here
2019-03-06 20:17:48 +05:30
integer(C_INT), value :: signal
SIGUSR2 = .true.
general cleaning
2019-03-09 05:37:26 +05:30
write(6,'(a,i2.2,a)') ' received signal ',signal, ', set SIGUSR2'
signal handling implemented allows to trigger action in running simulation, i.e. writing restart or results
2019-02-11 23:16:14 +05:30
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
2019-03-24 16:29:00 +05:30
end subroutine catchSIGUSR2
!--------------------------------------------------------------------------------------------------
!> @brief sets global variable SIGUSR2
!--------------------------------------------------------------------------------------------------
subroutine setSIGUSR2(state)
logical, intent(in) :: state
SIGUSR2 = state
signal handling implemented allows to trigger action in running simulation, i.e. writing restart or results
2019-02-11 23:16:14 +05:30
end subroutine setSIGUSR2
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
2019-03-24 16:29:00 +05:30
avoid disturbing reporting
2019-02-16 03:24:38 +05:30
end module