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DAMASK_EICMD
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DAMASK_EICMD/src/DAMASK_interface.f90

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fix for 03aebdf958908e43fdddda42d2e99ca4af92d546
2016-09-21 01:08:18 +05:30
!--------------------------------------------------------------------------------------------------
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!
2018-08-20 19:29:13 +05:30
!> @brief Interfacing between the PETSc-based solvers and the material subroutines provided
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!! by DAMASK
unfified interface for spectral and FEM solver Note: extension to load case and geometry is not added automatically anymore!
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!> @details Interfacing between the PETSc-based solvers and the material subroutines provided
spelling mistakes in documentation
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!> by DAMASK. Interpreting 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outdated description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 PETSC_MAJOR 3
#define PETSC_MINOR_MIN 10
PETSc 3.13 is out grid solver still works, mesh solver is still broken
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#define PETSC_MINOR_MAX 13
do not clutter the code with use statements
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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
do not clutter the code with use statements
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use, intrinsic :: iso_fortran_env
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do not clutter the code with use statements
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use PETScSys
use cascaded use statements
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use prec
WIP: introducing separate module for parallelization
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use parallelization
use cascaded use statements
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use system_routines
spelling mistakes in documentation
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no need to use pInt here
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implicit none
private
volatile seems to make sense here the value can be changed surprisingly
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logical, volatile, public, protected :: &
spelling mistakes in documentation
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SIGTERM, & !< termination signal
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
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SIGUSR1, & !< 1. user-defined signal
SIGUSR2 !< 2. user-defined signal
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integer, public, protected :: &
no need to use pInt here
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interface_restartInc = 0 !< Increment at which calculation starts
avoid fixed string length where possible
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character(len=:), allocatable, public, protected :: &
geometryFile, & !< parameter given for geometry file
loadCaseFile !< parameter given for load case file
no need to use pInt here
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public :: &
getSolverJobName, &
improved signal handling - possibility to catch SIGTERM - functions to set SIG(TERM/USR1/USR2) explicitly
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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
2012-03-09 01:55:28 +05:30
!> @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>
check prerequisites as early as possible
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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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===================================================================================================
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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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avoid issues with unsufficient length of strings
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character(len=pPathLen*3+pStringLen) :: &
commandLine !< command line call as string
character(len=pPathLen) :: &
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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
avoid issues with unsufficient length of strings
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workingDirArg = '' !< -w argument given to the executable
character(len=pStringLen) :: &
no need to use pInt here
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userName !< name of user calling the executable
integer :: &
better use intrinsic F2003 features
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stat, &
handling of MPI in 'parallelization'
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i
no need to use pInt here
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integer, dimension(8) :: &
dateAndTime
more error checking
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integer :: err
same reporting style, more error checks
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PetscErrorCode :: petsc_err
no need to use pInt here
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external :: &
quit
write(6,'(/,a)') ' <<<+- DAMASK_interface init -+>>>'
handling of MPI in 'parallelization'
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open(6, encoding='UTF-8') ! for special characters in output
nicer reporting
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! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203
#ifdef DEBUG
write(6,*) achar(27)//'[31m'
write(6,'(a,/)') ' debug version - debug version - debug version - debug version - debug version'
#else
[skip ci] with DAMASK ASCII art
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write(6,*) achar(27)//'[94m'
nicer reporting
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#endif
write(6,*) ' _/_/_/ _/_/ _/ _/ _/_/ _/_/_/ _/ _/ _/_/_/'
write(6,*) ' _/ _/ _/ _/ _/_/ _/_/ _/ _/ _/ _/ _/ _/'
write(6,*) ' _/ _/ _/_/_/_/ _/ _/ _/ _/_/_/_/ _/_/ _/_/ _/_/'
write(6,*) ' _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/ _/'
write(6,*) ' _/_/_/ _/ _/ _/ _/ _/ _/ _/_/_/ _/ _/ _/_/_/'
#ifdef DEBUG
write(6,'(/,a)') ' debug version - debug version - debug version - debug version - debug version'
#endif
[skip ci] with DAMASK ASCII art
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write(6,*) achar(27)//'[0m'
nicer reporting
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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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avoid fixed string length where possible
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! https://github.com/jeffhammond/HPCInfo/blob/master/docs/Preprocessor-Macros.md
older Fortran compilers are not supported anymore
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#if defined(__PGI)
write(6,'(/,a,i4.4,a,i8.8)') ' Compiled with PGI fortran version :', __PGIC__,&
'.', __PGIC_MINOR__
#else
[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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#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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better use intrinsic F2003 features
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do i = 1, command_argument_count()
more error checking
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call get_command_argument(i,arg,status=err)
if (err /= 0) call quit(1)
better use intrinsic F2003 features
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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)'
cleaning large alias lists complicate things
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write(6,'(a)') ' --workingdir (-w, --wd, --workingdirectory)'
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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.'
cleaning large alias lists complicate things
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write(6,'(/,a)')' --restart N'
write(6,'(a)') ' Reads in increment N and continues with calculating'
write(6,'(a)') ' increment N+1 based on this.'
no need to use pInt here
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write(6,'(a)') ' Appends to existing results file'
cleaning large alias lists complicate things
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write(6,'(a)') ' "NameOfGeom_NameOfLoadFile.hdf5".'
write(6,'(a)') ' Works only if the restart information for increment N'
no need to use pInt here
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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')
status is not the first argument
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call get_command_argument(i+1,loadCaseArg,status=err)
no need to use pInt here
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case ('-g', '--geom', '--geometry')
status is not the first argument
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call get_command_argument(i+1,geometryArg,status=err)
cleaning large alias lists complicate things
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case ('-w', '--wd', '--workingdir', '--workingdirectory')
status is not the first argument
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call get_command_argument(i+1,workingDirArg,status=err)
no need to use pInt here
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case ('-r', '--rs', '--restart')
status is not the first argument
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call get_command_argument(i+1,arg,status=err)
better use intrinsic F2003 features
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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
more error checking
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if (err /= 0) call quit(1)
no need to use pInt here
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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)
polishing
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if (len_trim(workingDirArg) > 0) &
no need to use pInt here
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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)
use variable string as return (no need for trim)
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write(6,'(a,a)') ' Working directory: ', getCWD()
avoid fixed string length where possible
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write(6,'(a,a)') ' Geometry file: ', geometryFile
write(6,'(a,a)') ' Loadcase file: ', loadCaseFile
use variable string as return (no need for trim)
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write(6,'(a,a)') ' Solver job name: ', getSolverJobName()
no need to use pInt here
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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
avoid issues with unsufficient length of strings
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character(len=pPathLen) :: workingDirectory
no need to use pInt here
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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
use variable string as return (no need for trim)
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write(6,'(/,a)') ' ERROR: Invalid Working directory: '//trim(workingDirectory)
no need to use pInt here
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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
!--------------------------------------------------------------------------------------------------
use variable string as return (no need for trim)
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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
use variable string as return (no need for trim)
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character(len=:), allocatable :: getSolverJobName
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
use variable string as return (no need for trim)
2020-01-04 22:55:59 +05:30
getSolverJobName = 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
!--------------------------------------------------------------------------------------------------
use variable string as return (no need for trim)
2020-01-04 22:55:59 +05:30
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
use variable string as return (no need for trim)
2020-01-04 22:55:59 +05:30
character(len=:), allocatable :: getGeometryFile
character(len=*), 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)
use variable string as return (no need for trim)
2020-01-04 22:55:59 +05:30
if (scan(getGeometryFile,'/') /= 1) getGeometryFile = getCWD()//'/'//trim(getGeometryFile)
avoid fixed string length where possible
2020-01-23 14:05:41 +05:30
getGeometryFile = trim(makeRelativePath(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
avoid fixed string length where possible
2020-01-23 14:05:41 +05:30
inquire(file=getGeometryFile, exist=file_exists)
no need to use pInt here
2019-03-06 20:17:48 +05:30
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
!--------------------------------------------------------------------------------------------------
spelling mistakes in documentation
2020-06-26 15:14:17 +05:30
!> @brief relative path of load case 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
!--------------------------------------------------------------------------------------------------
use variable string as return (no need for trim)
2020-01-04 22:55:59 +05:30
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
use variable string as return (no need for trim)
2020-01-04 22:55:59 +05:30
character(len=:), allocatable :: getLoadCaseFile
character(len=*), 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)
use variable string as return (no need for trim)
2020-01-04 22:55:59 +05:30
if (scan(getLoadCaseFile,'/') /= 1) getLoadCaseFile = getCWD()//'/'//trim(getLoadCaseFile)
avoid fixed string length where possible
2020-01-23 14:05:41 +05:30
getLoadCaseFile = trim(makeRelativePath(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
avoid fixed string length where possible
2020-01-23 14:05:41 +05:30
inquire(file=getLoadCaseFile, exist=file_exists)
no need to use pInt here
2019-03-06 20:17:48 +05:30
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)
variable string length
2020-01-26 17:58:12 +05:30
character(len=*), intent(in) :: path
character(len=:), allocatable :: rectifyPath
no need to use pInt here
2019-03-06 20:17:48 +05:30
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
variable string length
2020-01-26 17:58:12 +05:30
rectifyPath = trim(rectifyPath)
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
!--------------------------------------------------------------------------------------------------
variable string length
2020-01-26 17:58:12 +05:30
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
variable string length
2020-01-26 17:58:12 +05:30
character (len=pPathLen) :: a_cleaned,b_cleaned
character(len=:), allocatable :: makeRelativePath
no need to use pInt here
2019-03-06 20:17:48 +05:30
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