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Merge branch 'development' into structure-improvements

This commit is contained in:
Martin Diehl 2022-04-27 05:55:19 +02:00
parent b7a70ffe61 af8003525a
commit bb83d20fe9
19 changed files with 250 additions and 232 deletions
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3
.gitlab-ci.yml
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@ -233,7 +233,8 @@ update_revision:
- cd $(mktemp -d)
- git clone -q git@git.damask.mpie.de:damask/DAMASK.git .
- git pull
- export VERSION=$(git describe ${CI_COMMIT_SHA})
- VERSION=$(git describe ${CI_COMMIT_SHA})
- export VERSION="${VERSION:1}"
- echo ${VERSION} > python/damask/VERSION
- >
git diff-index --quiet HEAD ||

2
python/damask/VERSION
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@ -1 +1 @@
v3.0.0-alpha6-249-gd2cf972b2
3.0.0-alpha6-258-gea7c8ef23

30
python/setup.cfg Normal file
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@ -0,0 +1,30 @@
[metadata]
name = damask
version = file: damask/VERSION
author = The DAMASK team
author_email = damask@mpie.de
url = https://damask.mpie.de
description = DAMASK processing tools
long_description = Pre- and post-processing tools for DAMASK
license: AGPL3
classifiers =
Intended Audience :: Science/Research
Topic :: Scientific/Engineering
Programming Language :: Python :: 3
License :: OSI Approved :: GNU Affero General Public License v3 or later (AGPLv3+)
Operating System :: OS Independent
[options]
packages = damask
include_package_data = true
python_requires = >= 3.8
install_requires =
importlib-metadata; python_version<"3.8"
pandas; python_version<="0.24" # requires numpy
numpy; python_version<="1.17" # needed for default_rng
scipy; python_version<="1.2"
h5py; python_version<="2.9" # requires numpy
vtk; python_version<="8.1"
matplotlib; python_version<="3.0" # requires numpy, pillow
pyyaml; python_version<="3.12"
setup_requires = setuptools

36
python/setup.py
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@ -1,36 +0,0 @@
import setuptools
from pathlib import Path
import re
# https://www.python.org/dev/peps/pep-0440
with open(Path(__file__).parent/'damask/VERSION') as f:
version = re.sub(r'(-([^-]*)).*$',r'.\2',re.sub(r'^v(\d+\.\d+(\.\d+)?)',r'\1',f.readline().strip()))
setuptools.setup(
name='damask',
version=version,
author='The DAMASK team',
author_email='damask@mpie.de',
description='DAMASK processing tools',
long_description='Pre- and post-processing tools for DAMASK',
url='https://damask.mpie.de',
packages=setuptools.find_packages(),
include_package_data=True,
python_requires = '>=3.8',
install_requires = [
'pandas>=0.24', # requires numpy
'numpy>=1.17', # needed for default_rng
'scipy>=1.2',
'h5py>=2.9', # requires numpy
'vtk>=8.1',
'matplotlib>=3.0', # requires numpy, pillow
'pyyaml>=3.12'
],
classifiers = [
'Intended Audience :: Science/Research',
'Topic :: Scientific/Engineering',
'Programming Language :: Python :: 3',
'License :: OSI Approved :: GNU Affero General Public License v3 or later (AGPLv3+)',
'Operating System :: OS Independent',
],
)

154
src/DAMASK_interface.f90 → src/CLI.f90
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@ -3,17 +3,13 @@
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Interfacing between the PETSc-based solvers and the material subroutines provided
!! by DAMASK
!> @details Interfacing between the PETSc-based solvers and the material subroutines provided
!> by DAMASK. Interpreting the command line arguments to get load case, geometry file,
!> and working directory.
!> @brief Parse command line interface for PETSc-based solvers
!--------------------------------------------------------------------------------------------------
#define PETSC_MAJOR 3
#define PETSC_MINOR_MIN 12
#define PETSC_MINOR_MAX 17
module DAMASK_interface
module CLI
use, intrinsic :: ISO_fortran_env
use PETScSys
@ -24,22 +20,15 @@ module DAMASK_interface
implicit none
private
logical, volatile, public, protected :: &
interface_SIGTERM, & !< termination signal
interface_SIGUSR1, & !< 1. user-defined signal
interface_SIGUSR2 !< 2. user-defined signal
integer, public, protected :: &
interface_restartInc = 0 !< Increment at which calculation starts
CLI_restartInc = 0 !< Increment at which calculation starts
character(len=:), allocatable, public, protected :: &
interface_geomFile, & !< parameter given for geometry file
interface_loadFile !< parameter given for load case file
CLI_geomFile, & !< parameter given for geometry file
CLI_loadFile !< parameter given for load case file
public :: &
getSolverJobName, &
DAMASK_interface_init, &
interface_setSIGTERM, &
interface_setSIGUSR1, &
interface_setSIGUSR2
CLI_init
contains
@ -47,7 +36,7 @@ contains
!> @brief initializes the solver by interpreting the command line arguments. Also writes
!! information on computation to screen
!--------------------------------------------------------------------------------------------------
subroutine DAMASK_interface_init
subroutine CLI_init
#include <petsc/finclude/petscsys.h>
#if PETSC_VERSION_MAJOR!=3 || PETSC_VERSION_MINOR<PETSC_MINOR_MIN || PETSC_VERSION_MINOR>PETSC_MINOR_MAX
@ -71,7 +60,7 @@ subroutine DAMASK_interface_init
quit
print'(/,1x,a)', '<<<+- DAMASK_interface init -+>>>'
print'(/,1x,a)', '<<<+- CLI init -+>>>'
! http://patorjk.com/software/taag/#p=display&f=Lean&t=DAMASK%203
#ifdef DEBUG
@ -163,8 +152,8 @@ subroutine DAMASK_interface_init
call get_command_argument(i+1,workingDirArg,status=err)
case ('-r', '--rs', '--restart')
call get_command_argument(i+1,arg,status=err)
read(arg,*,iostat=stat) interface_restartInc
if (interface_restartInc < 0 .or. stat /=0) then
read(arg,*,iostat=stat) CLI_restartInc
if (CLI_restartInc < 0 .or. stat /=0) then
print'(/,a)', ' ERROR: Could not parse restart increment: '//trim(arg)
call quit(1)
endif
@ -178,8 +167,8 @@ subroutine DAMASK_interface_init
endif
if (len_trim(workingDirArg) > 0) call setWorkingDirectory(trim(workingDirArg))
interface_geomFile = getGeometryFile(geometryArg)
interface_loadFile = getLoadCaseFile(loadCaseArg)
CLI_geomFile = getGeometryFile(geometryArg)
CLI_loadFile = getLoadCaseFile(loadCaseArg)
call get_command(commandLine)
print'(/,a)', ' Host name: '//getHostName()
@ -191,20 +180,13 @@ subroutine DAMASK_interface_init
print'(a)', ' Geometry argument: '//trim(geometryArg)
print'(a)', ' Load case argument: '//trim(loadcaseArg)
print'(/,a)', ' Working directory: '//getCWD()
print'(a)', ' Geometry file: '//interface_geomFile
print'(a)', ' Load case file: '//interface_loadFile
print'(a)', ' Geometry file: '//CLI_geomFile
print'(a)', ' Load case file: '//CLI_loadFile
print'(a)', ' Solver job name: '//getSolverJobName()
if (interface_restartInc > 0) &
print'(a,i6.6)', ' Restart from increment: ', interface_restartInc
if (CLI_restartInc > 0) &
print'(a,i6.6)', ' Restart from increment: ', CLI_restartInc
call signalterm_c(c_funloc(catchSIGTERM))
call signalusr1_c(c_funloc(catchSIGUSR1))
call signalusr2_c(c_funloc(catchSIGUSR2))
call interface_setSIGTERM(.false.)
call interface_setSIGUSR1(.false.)
call interface_setSIGUSR2(.false.)
end subroutine DAMASK_interface_init
end subroutine CLI_init
!--------------------------------------------------------------------------------------------------
@ -243,15 +225,15 @@ function getSolverJobName()
character(len=:), allocatable :: getSolverJobName
integer :: posExt,posSep
posExt = scan(interface_geomFile,'.',back=.true.)
posSep = scan(interface_geomFile,'/',back=.true.)
posExt = scan(CLI_geomFile,'.',back=.true.)
posSep = scan(CLI_geomFile,'/',back=.true.)
getSolverJobName = interface_geomFile(posSep+1:posExt-1)
getSolverJobName = CLI_geomFile(posSep+1:posExt-1)
posExt = scan(interface_loadFile,'.',back=.true.)
posSep = scan(interface_loadFile,'/',back=.true.)
posExt = scan(CLI_loadFile,'.',back=.true.)
posSep = scan(CLI_loadFile,'/',back=.true.)
getSolverJobName = getSolverJobName//'_'//interface_loadFile(posSep+1:posExt-1)
getSolverJobName = getSolverJobName//'_'//CLI_loadFile(posSep+1:posExt-1)
end function getSolverJobName
@ -376,92 +358,4 @@ function makeRelativePath(a,b)
end function makeRelativePath
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable interface_SIGTERM to .true.
!> @details This function can be registered to catch signals send to the executable.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGTERM(signal) bind(C)
integer(C_INT), value :: signal
print'(a,i0)', ' received signal ',signal
call interface_setSIGTERM(.true.)
end subroutine catchSIGTERM
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable interface_SIGUSR1 to .true.
!> @details This function can be registered to catch signals send to the executable.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR1(signal) bind(C)
integer(C_INT), value :: signal
print'(a,i0)', ' received signal ',signal
call interface_setSIGUSR1(.true.)
end subroutine catchSIGUSR1
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable interface_SIGUSR2 to .true.
!> @details This function can be registered to catch signals send to the executable.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR2(signal) bind(C)
integer(C_INT), value :: signal
print'(a,i0,a)', ' received signal ',signal
call interface_setSIGUSR2(.true.)
end subroutine catchSIGUSR2
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable interface_SIGTERM.
!--------------------------------------------------------------------------------------------------
subroutine interface_setSIGTERM(state)
logical, intent(in) :: state
interface_SIGTERM = state
print*, 'set SIGTERM to',state
end subroutine interface_setSIGTERM
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable interface_SIGUSR.
!--------------------------------------------------------------------------------------------------
subroutine interface_setSIGUSR1(state)
logical, intent(in) :: state
interface_SIGUSR1 = state
print*, 'set SIGUSR1 to',state
end subroutine interface_setSIGUSR1
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable interface_SIGUSR2.
!--------------------------------------------------------------------------------------------------
subroutine interface_setSIGUSR2(state)
logical, intent(in) :: state
interface_SIGUSR2 = state
print*, 'set SIGUSR2 to',state
end subroutine interface_setSIGUSR2
end module
end module CLI

14
src/config.f90
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@ -1,8 +1,6 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Reads in the material, numerics & debug configuration from their respective file
!> @details Reads the material configuration file, where solverJobName.yaml takes
!! precedence over material.yaml.
!> @brief Read in the configuration of material, numerics, and debug from their respective file
!--------------------------------------------------------------------------------------------------
module config
use IO
@ -28,19 +26,19 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief Real *.yaml configuration files.
!--------------------------------------------------------------------------------------------------
subroutine config_init
subroutine config_init()
print'(/,1x,a)', '<<<+- config init -+>>>'; flush(IO_STDOUT)
call parse_material
call parse_numerics
call parse_debug
call parse_material()
call parse_numerics()
call parse_debug()
end subroutine config_init
!--------------------------------------------------------------------------------------------------
!> @brief Read material.yaml or <jobname>.yaml.
!> @brief Read material.yaml.
!--------------------------------------------------------------------------------------------------
subroutine parse_material()

23
src/grid/DAMASK_grid.f90
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@ -15,7 +15,8 @@ program DAMASK_grid
use prec
use parallelization
use DAMASK_interface
use signals
use CLI
use IO
use config
use math
@ -133,8 +134,8 @@ program DAMASK_grid
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
if (worldrank == 0) then
fileContent = IO_read(interface_loadFile)
fname = interface_loadFile
fileContent = IO_read(CLI_loadFile)
fname = CLI_loadFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',fname,'load case definition (grid solver)')
@ -314,7 +315,7 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! write header of output file
if (worldrank == 0) then
writeHeader: if (interface_restartInc < 1) then
writeHeader: if (CLI_restartInc < 1) then
open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
else writeHeader
@ -323,7 +324,7 @@ program DAMASK_grid
endif writeHeader
endif
writeUndeformed: if (interface_restartInc < 1) then
writeUndeformed: if (CLI_restartInc < 1) then
print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT)
call materialpoint_results(0,0.0_pReal)
@ -347,7 +348,7 @@ program DAMASK_grid
endif
Delta_t = Delta_t * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
skipping: if (totalIncsCounter <= CLI_restartInc) then ! not yet at restart inc?
t = t + Delta_t ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping
@ -448,15 +449,15 @@ program DAMASK_grid
print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' NOT converged'
endif; flush(IO_STDOUT)
call MPI_Allreduce(interface_SIGUSR1,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
call MPI_Allreduce(signals_SIGUSR1,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
if (mod(inc,loadCases(l)%f_out) == 0 .or. signal) then
print'(/,1x,a)', '... writing results to file ...............................................'
flush(IO_STDOUT)
call materialpoint_results(totalIncsCounter,t)
endif
if (signal) call interface_setSIGUSR1(.false.)
call MPI_Allreduce(interface_SIGUSR2,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
if (signal) call signals_setSIGUSR1(.false.)
call MPI_Allreduce(signals_SIGUSR2,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
if (mod(inc,loadCases(l)%f_restart) == 0 .or. signal) then
do field = 1, nActiveFields
@ -469,8 +470,8 @@ program DAMASK_grid
end do
call materialpoint_restartWrite
endif
if (signal) call interface_setSIGUSR2(.false.)
call MPI_Allreduce(interface_SIGTERM,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
if (signal) call signals_setSIGUSR2(.false.)
call MPI_Allreduce(signals_SIGTERM,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
if (signal) exit loadCaseLooping
endif skipping

8
src/grid/discretization_grid.f90
View File

@ -15,7 +15,7 @@ module discretization_grid
use parallelization
use system_routines
use VTI
use DAMASK_interface
use CLI
use IO
use config
use results
@ -76,14 +76,14 @@ subroutine discretization_grid_init(restart)
if (worldrank == 0) then
fileContent = IO_read(interface_geomFile)
fileContent = IO_read(CLI_geomFile)
call VTI_readCellsSizeOrigin(cells,geomSize,origin,fileContent)
materialAt_global = VTI_readDataset_int(fileContent,'material') + 1
if (any(materialAt_global < 1)) &
call IO_error(180,ext_msg='material ID < 1')
if (size(materialAt_global) /= product(cells)) &
call IO_error(180,ext_msg='mismatch in # of material IDs and cells')
fname = interface_geomFile
fname = CLI_geomFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',fname,'geometry definition (grid solver)')
@ -329,7 +329,7 @@ function discretization_grid_getInitialCondition(label) result(ic)
displs, sendcounts
if (worldrank == 0) then
ic_global = VTI_readDataset_real(IO_read(interface_geomFile),label)
ic_global = VTI_readDataset_real(IO_read(CLI_geomFile),label)
else
allocate(ic_global(0)) ! needed for IntelMPI
endif

12
src/grid/grid_mech_FEM.f90
View File

@ -15,7 +15,7 @@ module grid_mechanical_FEM
use prec
use parallelization
use DAMASK_interface
use CLI
use IO
use HDF5
use HDF5_utilities
@ -231,8 +231,8 @@ subroutine grid_mechanical_FEM_init
!--------------------------------------------------------------------------------------------------
! init fields
restartRead: if (interface_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file'
restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -254,7 +254,7 @@ subroutine grid_mechanical_FEM_init
call HDF5_read(u_current,groupHandle,'u')
call HDF5_read(u_lastInc,groupHandle,'u_lastInc')
elseif (interface_restartInc == 0) then restartRead
elseif (CLI_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity
F = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3)
endif restartRead
@ -269,8 +269,8 @@ subroutine grid_mechanical_FEM_init
call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,err_PETSc)
CHKERRQ(err_PETSc)
restartRead2: if (interface_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file'
restartRead2: if (CLI_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', CLI_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
if(err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'

12
src/grid/grid_mech_spectral_basic.f90
View File

@ -15,7 +15,7 @@ module grid_mechanical_spectral_basic
use prec
use parallelization
use DAMASK_interface
use CLI
use IO
use HDF5
use HDF5_utilities
@ -201,8 +201,8 @@ subroutine grid_mechanical_spectral_basic_init
call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc) ! places pointer on PETSc data
CHKERRQ(err_PETSc)
restartRead: if (interface_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file'
restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -222,7 +222,7 @@ subroutine grid_mechanical_spectral_basic_init
call HDF5_read(F,groupHandle,'F')
call HDF5_read(F_lastInc,groupHandle,'F_lastInc')
elseif (interface_restartInc == 0) then restartRead
elseif (CLI_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity
F = reshape(F_lastInc,[9,cells(1),cells(2),cells3])
end if restartRead
@ -235,8 +235,8 @@ subroutine grid_mechanical_spectral_basic_init
call DMDAVecRestoreArrayF90(da,solution_vec,F,err_PETSc) ! deassociate pointer
CHKERRQ(err_PETSc)
restartRead2: if (interface_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file'
restartRead2: if (CLI_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', CLI_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'

12
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -15,7 +15,7 @@ module grid_mechanical_spectral_polarisation
use prec
use parallelization
use DAMASK_interface
use CLI
use IO
use HDF5
use HDF5_utilities
@ -223,8 +223,8 @@ subroutine grid_mechanical_spectral_polarisation_init
F => FandF_tau(0: 8,:,:,:)
F_tau => FandF_tau(9:17,:,:,:)
restartRead: if (interface_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file'
restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver')
@ -246,7 +246,7 @@ subroutine grid_mechanical_spectral_polarisation_init
call HDF5_read(F_tau,groupHandle,'F_tau')
call HDF5_read(F_tau_lastInc,groupHandle,'F_tau_lastInc')
elseif (interface_restartInc == 0) then restartRead
elseif (CLI_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,cells(1)),4,cells(2)),5,cells3) ! initialize to identity
F = reshape(F_lastInc,[9,cells(1),cells(2),cells3])
F_tau = 2.0_pReal*F
@ -261,8 +261,8 @@ subroutine grid_mechanical_spectral_polarisation_init
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,err_PETSc) ! deassociate pointer
CHKERRQ(err_PETSc)
restartRead2: if (interface_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', interface_restartInc, ' from file'
restartRead2: if (CLI_restartInc > 0) then
print'(1x,a,i0,a)', 'reading more restart data of increment ', CLI_restartInc, ' from file'
call HDF5_read(C_volAvg,groupHandle,'C_volAvg',.false.)
call MPI_Bcast(C_volAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'

6
src/grid/grid_thermal_spectral.f90
View File

@ -16,7 +16,7 @@ module grid_thermal_spectral
use prec
use parallelization
use IO
use DAMASK_interface
use CLI
use HDF5_utilities
use HDF5
use spectral_utilities
@ -140,8 +140,8 @@ subroutine grid_thermal_spectral_init()
CHKERRQ(err_PETSc)
restartRead: if (interface_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', interface_restartInc, ' from file'
restartRead: if (CLI_restartInc > 0) then
print'(/,1x,a,i0,a)', 'reading restart data of increment ', CLI_restartInc, ' from file'
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')
groupHandle = HDF5_openGroup(fileHandle,'solver')

2
src/grid/spectral_utilities.f90
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@ -13,7 +13,7 @@ module spectral_utilities
#endif
use prec
use DAMASK_interface
use CLI
use parallelization
use math
use rotations

17
src/materialpoint2.f90
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@ -5,7 +5,8 @@
!--------------------------------------------------------------------------------------------------
module materialpoint2
use parallelization
use DAMASK_interface
use signals
use CLI
use prec
use IO
use YAML_types
@ -21,7 +22,6 @@ module materialpoint2
use material
use phase
use homogenization
use discretization
#if defined(MESH)
use FEM_quadrature
@ -43,7 +43,8 @@ contains
subroutine materialpoint_initAll
call parallelization_init
call DAMASK_interface_init ! Spectral and FEM interface to commandline
call CLI_init ! Spectral and FEM interface to commandline
call signals_init
call prec_init
call IO_init
#if defined(MESH)
@ -54,18 +55,18 @@ subroutine materialpoint_initAll
call YAML_types_init
call YAML_parse_init
call HDF5_utilities_init
call results_init(restart=interface_restartInc>0)
call results_init(restart=CLI_restartInc>0)
call config_init
call math_init
call rotations_init
call polynomials_init
call lattice_init
#if defined(MESH)
call discretization_mesh_init(restart=interface_restartInc>0)
call discretization_mesh_init(restart=CLI_restartInc>0)
#elif defined(GRID)
call discretization_grid_init(restart=interface_restartInc>0)
call discretization_grid_init(restart=CLI_restartInc>0)
#endif
call material_init(restart=interface_restartInc>0)
call material_init(restart=CLI_restartInc>0)
call phase_init
call homogenization_init
call materialpoint_init
@ -85,7 +86,7 @@ subroutine materialpoint_init
print'(/,1x,a)', '<<<+- materialpoint init -+>>>'; flush(IO_STDOUT)
if (interface_restartInc > 0) then
if (CLI_restartInc > 0) then
print'(/,a,i0,a)', ' reading restart information of increment from file'; flush(IO_STDOUT)
fileHandle = HDF5_openFile(getSolverJobName()//'_restart.hdf5','r')

4
src/mesh/DAMASK_mesh.f90
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@ -10,7 +10,7 @@ program DAMASK_mesh
#include <petsc/finclude/petscsys.h>
use PetscDM
use prec
use DAMASK_interface
use CLI
use parallelization
use IO
use math
@ -104,7 +104,7 @@ program DAMASK_mesh
!--------------------------------------------------------------------------------------------------
! reading basic information from load case file and allocate data structure containing load cases
fileContent = IO_readlines(trim(interface_loadFile))
fileContent = IO_readlines(trim(CLI_loadFile))
do l = 1, size(fileContent)
line = fileContent(l)
if (IO_isBlank(line)) cycle ! skip empty lines

6
src/mesh/discretization_mesh.f90
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@ -15,7 +15,7 @@ module discretization_mesh
use MPI_f08
#endif
use DAMASK_interface
use CLI
use parallelization
use IO
use config
@ -101,9 +101,9 @@ subroutine discretization_mesh_init(restart)
debug_ip = config_debug%get_asInt('integrationpoint',defaultVal=1)
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>16)
call DMPlexCreateFromFile(PETSC_COMM_WORLD,interface_geomFile,'n/a',PETSC_TRUE,globalMesh,err_PETSc)
call DMPlexCreateFromFile(PETSC_COMM_WORLD,CLI_geomFile,'n/a',PETSC_TRUE,globalMesh,err_PETSc)
#else
call DMPlexCreateFromFile(PETSC_COMM_WORLD,interface_geomFile,PETSC_TRUE,globalMesh,err_PETSc)
call DMPlexCreateFromFile(PETSC_COMM_WORLD,CLI_geomFile,PETSC_TRUE,globalMesh,err_PETSc)
#endif
CHKERRQ(err_PETSc)
call DMGetDimension(globalMesh,dimPlex,err_PETSc)

1
src/mesh/mesh_mech_FEM.f90
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@ -20,7 +20,6 @@ module mesh_mechanical_FEM
use FEM_utilities
use discretization
use discretization_mesh
use DAMASK_interface
use config
use IO
use FEM_quadrature

4
src/results.f90
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@ -6,17 +6,19 @@
!--------------------------------------------------------------------------------------------------
module results
use prec
use DAMASK_interface
use parallelization
use IO
use HDF5_utilities
use HDF5
#ifdef PETSC
use CLI
#include <petsc/finclude/petscsys.h>
use PETScSys
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
use MPI_f08
#endif
#else
use DAMASK_interface
#endif
implicit none

128
src/signals.f90 Normal file
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@ -0,0 +1,128 @@
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Handling of UNIX signals.
!--------------------------------------------------------------------------------------------------
module signals
use prec
use system_routines
implicit none
private
logical, volatile, public, protected :: &
signals_SIGTERM, & !< termination signal
signals_SIGUSR1, & !< 1. user-defined signal
signals_SIGUSR2 !< 2. user-defined signal
public :: &
signals_init, &
signals_setSIGTERM, &
signals_setSIGUSR1, &
signals_setSIGUSR2
contains
!--------------------------------------------------------------------------------------------------
!> @brief Register signal handlers.
!--------------------------------------------------------------------------------------------------
subroutine signals_init()
call signalterm_c(c_funloc(catchSIGTERM))
call signalusr1_c(c_funloc(catchSIGUSR1))
call signalusr2_c(c_funloc(catchSIGUSR2))
call signals_setSIGTERM(.false.)
call signals_setSIGUSR1(.false.)
call signals_setSIGUSR2(.false.)
end subroutine signals_init
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGTERM to .true.
!> @details This function can be registered to catch signals send to the executable.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGTERM(signal) bind(C)
integer(C_INT), value :: signal
print'(a,i0)', ' received signal ',signal
call signals_setSIGTERM(.true.)
end subroutine catchSIGTERM
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGUSR1 to .true.
!> @details This function can be registered to catch signals send to the executable.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR1(signal) bind(C)
integer(C_INT), value :: signal
print'(a,i0)', ' received signal ',signal
call signals_setSIGUSR1(.true.)
end subroutine catchSIGUSR1
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGUSR2 to .true.
!> @details This function can be registered to catch signals send to the executable.
!--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR2(signal) bind(C)
integer(C_INT), value :: signal
print'(a,i0,a)', ' received signal ',signal
call signals_setSIGUSR2(.true.)
end subroutine catchSIGUSR2
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGTERM.
!--------------------------------------------------------------------------------------------------
subroutine signals_setSIGTERM(state)
logical, intent(in) :: state
signals_SIGTERM = state
print*, 'set SIGTERM to',state
end subroutine signals_setSIGTERM
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGUSR.
!--------------------------------------------------------------------------------------------------
subroutine signals_setSIGUSR1(state)
logical, intent(in) :: state
signals_SIGUSR1 = state
print*, 'set SIGUSR1 to',state
end subroutine signals_setSIGUSR1
!--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGUSR2.
!--------------------------------------------------------------------------------------------------
subroutine signals_setSIGUSR2(state)
logical, intent(in) :: state
signals_SIGUSR2 = state
print*, 'set SIGUSR2 to',state
end subroutine signals_setSIGUSR2
end module signals