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DAMASK_EICMD
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Merge branch 'development' of git.damask.mpie.de:damask/DAMASK into 258-damage-driving-force-and-damage-tests-need-update

This commit is contained in:
Yi Hu 2023-01-25 13:08:06 +01:00
parent b1ffef55e7 02766bc510
commit 5e0377aac4
46 changed files with 630 additions and 634 deletions
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42
.github/workflows/Fortran.yml vendored
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@ -2,7 +2,7 @@ name: Grid and Mesh Solver
on: [push] on: [push]
env: env:
PETSC_VERSION: '3.18.1' PETSC_VERSION: '3.18.2'
HOMEBREW_NO_ANALYTICS: 'ON' # Make Homebrew installation a little quicker HOMEBREW_NO_ANALYTICS: 'ON' # Make Homebrew installation a little quicker
HOMEBREW_NO_AUTO_UPDATE: 'ON' HOMEBREW_NO_AUTO_UPDATE: 'ON'
HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: 'ON' HOMEBREW_NO_BOTTLE_SOURCE_FALLBACK: 'ON'
@ -11,14 +11,14 @@ env:
jobs: jobs:
gcc: gcc_ubuntu:
runs-on: ${{ matrix.os }} runs-on: ubuntu-22.04
strategy: strategy:
matrix: matrix:
os: [ubuntu-latest, macos-latest] gcc_v: [9, 10, 11, 12]
gcc_v: [9, 10, 11] # Version of GCC compilers fail-fast: false
env: env:
GCC_V: ${{ matrix.gcc_v }} GCC_V: ${{ matrix.gcc_v }}
@ -27,8 +27,7 @@ jobs:
- uses: actions/checkout@v3 - uses: actions/checkout@v3
- name: GCC - Install (Linux) - name: GCC - Install
if: contains( matrix.os, 'ubuntu')
run: | run: |
sudo add-apt-repository ppa:ubuntu-toolchain-r/test sudo add-apt-repository ppa:ubuntu-toolchain-r/test
sudo apt-get update sudo apt-get update
@ -38,12 +37,6 @@ jobs:
--slave /usr/bin/g++ g++ /usr/bin/g++-${GCC_V} \ --slave /usr/bin/g++ g++ /usr/bin/g++-${GCC_V} \
--slave /usr/bin/gcov gcov /usr/bin/gcov-${GCC_V} --slave /usr/bin/gcov gcov /usr/bin/gcov-${GCC_V}
- name: GCC - Install (macOS)
if: contains( matrix.os, 'macos')
run: |
brew install gcc@${GCC_V} || brew upgrade gcc@${GCC_V} || true
brew link gcc@${GCC_V}
- name: PETSc - Cache download - name: PETSc - Cache download
id: petsc-download id: petsc-download
uses: actions/cache@v3 uses: actions/cache@v3
@ -63,28 +56,19 @@ jobs:
export PETSC_ARCH=gcc${GCC_V} export PETSC_ARCH=gcc${GCC_V}
printenv >> $GITHUB_ENV printenv >> $GITHUB_ENV
- name: PETSc - Cache installation - name: PETSc - Cache Installation
id: petsc-install id: petsc-install
uses: actions/cache@v3 uses: actions/cache@v3
with: with:
path: petsc-${{ env.PETSC_VERSION }} path: petsc-${{ env.PETSC_VERSION }}
key: petsc-${{ env.PETSC_VERSION }}-${{ matrix.os }}-gcc${{ matrix.gcc_v }}-${{ hashFiles('**/petscversion.h') }} key: petsc-${{ env.PETSC_VERSION }}-gcc${{ matrix.gcc_v }}-${{ hashFiles('**/petscversion.h') }}
- name: PETSc - Install (Linux) - name: PETSc - Installation
if: contains( matrix.os, 'ubuntu')
run: | run: |
cd petsc-${PETSC_VERSION} cd petsc-${PETSC_VERSION}
./configure --with-fc=gfortran --with-cc=gcc --with-cxx=g++ \ ./configure --with-fc=gfortran --with-cc=gcc --with-cxx=g++ \
--download-mpich --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib \ --download-openmpi --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib \
--with-mpi-f90module-visibility=0 --with-mpi-f90module-visibility=1
make all
- name: PETSc - Install (macOS)
if: contains( matrix.os, 'macos')
run: |
cd petsc-${PETSC_VERSION}
./configure --with-fc=gfortran-${GCC_V} --with-cc=gcc-${GCC_V} --with-cxx=g++-${GCC_V} \
--download-openmpi --download-fftw --download-hdf5 --download-hdf5-fortran-bindings=1 --download-zlib
make all make all
- name: DAMASK - Compile - name: DAMASK - Compile
@ -100,6 +84,7 @@ jobs:
run: | run: |
./bin/DAMASK_grid -l tensionX.yaml -g 20grains16x16x16.vti -w examples/grid ./bin/DAMASK_grid -l tensionX.yaml -g 20grains16x16x16.vti -w examples/grid
intel: intel:
runs-on: [ubuntu-22.04] runs-on: [ubuntu-22.04]
@ -107,6 +92,7 @@ jobs:
strategy: strategy:
matrix: matrix:
intel_v: [classic, llvm] # Variant of Intel compilers intel_v: [classic, llvm] # Variant of Intel compilers
fail-fast: false
env: env:
INTEL_V: ${{ matrix.intel_v }} INTEL_V: ${{ matrix.intel_v }}
@ -143,7 +129,7 @@ jobs:
- name: PETSc - Prepare - name: PETSc - Prepare
run: | run: |
tar -xf download/petsc-${PETSC_VERSION}.tar.gz -C . tar -xf download/petsc-${PETSC_VERSION}.tar.gz -C .
sed -i "1715s/if not os.path.isfile(os.path.join(self.packageDir,'configure')):/if True:/g" \ sed -i "1718s/if not os.path.isfile(os.path.join(self.packageDir,'configure')):/if True:/g" \
./petsc-${PETSC_VERSION}/config/BuildSystem/config/package.py ./petsc-${PETSC_VERSION}/config/BuildSystem/config/package.py
export PETSC_DIR=${PWD}/petsc-${PETSC_VERSION} export PETSC_DIR=${PWD}/petsc-${PETSC_VERSION}
export PETSC_ARCH=intel-${INTEL_V} export PETSC_ARCH=intel-${INTEL_V}

15
CMakeLists.txt
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@ -90,14 +90,21 @@ endif()
list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake) list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel") if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
include(Compiler-Intel)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
include(Compiler-GNU) include(Compiler-GNU)
set(Fortran_COMPILER_VERSION_MIN 9.1)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
include(Compiler-Intel)
set(Fortran_COMPILER_VERSION_MIN 19)
elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM") elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM")
include(Compiler-IntelLLVM) include(Compiler-IntelLLVM)
set(Fortran_COMPILER_VERSION_MIN 19)
else() else()
message(FATAL_ERROR "Compiler type(CMAKE_Fortran_COMPILER_ID) not recognized") message(FATAL_ERROR "Compiler '${CMAKE_Fortran_COMPILER_ID}' not supported")
endif()
if(CMAKE_Fortran_COMPILER_VERSION VERSION_LESS Fortran_COMPILER_VERSION_MIN)
message(FATAL_ERROR "Version '${CMAKE_Fortran_COMPILER_VERSION}' of '${CMAKE_Fortran_COMPILER_ID}' is not supported")
endif() endif()
file(STRINGS "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/petsc/conf/petscvariables" PETSC_EXTERNAL_LIB REGEX "PETSC_EXTERNAL_LIB_BASIC = .*$?") file(STRINGS "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/petsc/conf/petscvariables" PETSC_EXTERNAL_LIB REGEX "PETSC_EXTERNAL_LIB_BASIC = .*$?")

2
PRIVATE

@ -1 +1 @@
Subproject commit 49b67cae59e050e3f59bbbf93687d7026b42b7a2 Subproject commit c36ebd1a0b4dcaa763ef2201cd3cbfee0cb3ff50

2
VERSION
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@ -1 +1 @@
3.0.0-alpha7-302-g56ff8c769 3.0.0-alpha7-349-g02221da3e

2
examples/config/phase/mechanical/elastic/Hooke_IN625.yaml
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@ -1,7 +1,7 @@
type: Hooke type: Hooke
references: references:
- Wang et al., - Z. Wang et al.,
Materials Science and Engineering:A 674:406-412, 2016, Materials Science and Engineering:A 674:406-412, 2016,
https://doi.org/10.1016/j.msea.2016.08.010, https://doi.org/10.1016/j.msea.2016.08.010,
fit to Tab. 2 (last 3 rows) fit to Tab. 2 (last 3 rows)

19
examples/config/phase/mechanical/plastic/phenopowerlaw_AA6022-T4.yaml Normal file
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@ -0,0 +1,19 @@
type: phenopowerlaw
references:
- T.J. Barrett and M. Knezevic,
Computer Methods in Applied Mechanics and Engineering 354:245-270, 2019,
https://doi.org/10.1016/j.cma.2019.05.035,
fitted to data shown in Fig 1 and Fig. 2a
output: [xi_sl, gamma_sl]
N_sl: [12]
n_sl: 20
a_sl: 3.7
h_0_sl-sl: 1.02e+9
xi_0_sl: [76.e+6]
xi_inf_sl: [266.e+6]
h_sl-sl: [1, 1, 5.123, 0.574, 1.123, 1.123, 1]
dot_gamma_0_sl: 0.001

15
examples/config/phase/mechanical/plastic/phenopowerlaw_Al.yaml
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@ -4,19 +4,16 @@ references:
- W.F. Hosford et al., - W.F. Hosford et al.,
Acta Metallurgica 8(3):187-199, 1960, Acta Metallurgica 8(3):187-199, 1960,
https://doi.org/10.1016/0001-6160(60)90127-9, https://doi.org/10.1016/0001-6160(60)90127-9,
fitted from Fig. 5 fitted to Fig. 5 ([111] and [001])
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl] output: [xi_sl, gamma_sl]
N_sl: [12] N_sl: [12]
n_sl: 20 n_sl: 20
a_sl: 3.1 a_sl: 5.4
h_0_sl-sl: 1.7e+8 h_0_sl-sl: 281.5e+6
xi_0_sl: [5.0e+6] xi_0_sl: [2.69e+6]
xi_inf_sl: [37.5e+6] xi_inf_sl: [67.5e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4] h_sl-sl: [1, 1, 5.123, 0.574, 1.123, 1.123, 1]
dot_gamma_0_sl: 7.5e-5 dot_gamma_0_sl: 7.5e-5

17
examples/config/phase/mechanical/plastic/phenopowerlaw_Cu.yaml
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@ -1,22 +1,19 @@
type: phenopowerlaw type: phenopowerlaw
references: references:
- T Takeuchi, - T. Takeuchi,
Transactions of the Japan Institute of Metals 16(10):629-640, 1975, Transactions of the Japan Institute of Metals 16(10):629-640, 1975,
https://doi.org/10.2320/matertrans1960.16.629, https://doi.org/10.2320/matertrans1960.16.629,
fitted from Fig. 3b fitted to Fig. 3b ([111] and [001])
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970,
https://doi.org/10.1007/BF02900224
output: [xi_sl, gamma_sl] output: [xi_sl, gamma_sl]
N_sl: [12] N_sl: [12]
n_sl: 20 n_sl: 20
a_sl: 1.0 a_sl: 0.6
h_0_sl-sl: 2.4e+8 h_0_sl-sl: 3.5e+8
xi_0_sl: [1.5e+6] xi_0_sl: [1.6e+6]
xi_inf_sl: [112.5e+6] xi_inf_sl: [96.4e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4] h_sl-sl: [1, 1, 5.123, 0.574, 1.123, 1.123, 1]
dot_gamma_0_sl: 3.e-3 dot_gamma_0_sl: 3.e-3

21
examples/config/phase/mechanical/plastic/phenopowerlaw_Pt-5%Cu.yaml
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@ -4,17 +4,16 @@ references:
- K.M. Jackson and C. Lang, - K.M. Jackson and C. Lang,
Platinum Metals Review 50:15-19, 2006, Platinum Metals Review 50:15-19, 2006,
https://doi.org/10.1595/147106705X93359, https://doi.org/10.1595/147106705X93359,
fitted from Fig. 5 (Pt-5% Cu recrystallised) fitted to Fig. 5 (Pt-5% Cu recrystallised)
- U.F. Kocks,
Metallurgical and Materials Transactions B 1:1121–1143, 1970, output: [xi_sl, gamma_sl]
https://doi.org/10.1007/BF02900224
N_sl: [12] N_sl: [12]
n_sl: 1.6 n_sl: 20
a_sl: 0.8 a_sl: 0.9
h_0_sl-sl: 300.0e+6 h_0_sl-sl: 781.2e+6
xi_0_sl: [150.0e+6] xi_0_sl: [114.e+6]
xi_inf_sl: [500.0e+6] xi_inf_sl: [207.e+6]
h_sl-sl: [1, 1, 1.4, 1.4, 1.4, 1.4, 1.4] h_sl-sl: [1, 1, 5.123, 0.574, 1.123, 1.123, 1]
dot_gamma_0_sl: 0.0001 dot_gamma_0_sl: 0.001

1
src/CLI.f90
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@ -5,7 +5,6 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Parse command line interface for PETSc-based solvers !> @brief Parse command line interface for PETSc-based solvers
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
#define PETSC_MAJOR 3
#define PETSC_MINOR_MIN 12 #define PETSC_MINOR_MIN 12
#define PETSC_MINOR_MAX 18 #define PETSC_MINOR_MAX 18

2
src/CMakeLists.txt
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@ -18,7 +18,7 @@ endif()
foreach(solver-source ${solver-sources}) foreach(solver-source ${solver-sources})
file(READ ${solver-source} content) file(READ ${solver-source} content)
string(FIND "${content}" "CHKERR" found) string(FIND "${content}" "CHKERR" found)
if(NOT ${found} EQUAL -1) if((NOT ${found} EQUAL -1) AND (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU"))
set_source_files_properties(${solver-source} PROPERTIES COMPILE_FLAGS "-ffree-line-length-none") set_source_files_properties(${solver-source} PROPERTIES COMPILE_FLAGS "-ffree-line-length-none")
endif() endif()
endforeach() endforeach()

4
src/Marc/DAMASK_Marc.f90
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@ -147,7 +147,7 @@ end module DAMASK_interface
#include "../YAML_types.f90" #include "../YAML_types.f90"
#include "../YAML_parse.f90" #include "../YAML_parse.f90"
#include "../HDF5_utilities.f90" #include "../HDF5_utilities.f90"
#include "../results.f90" #include "../result.f90"
#include "../config.f90" #include "../config.f90"
#include "../LAPACK_interface.f90" #include "../LAPACK_interface.f90"
#include "../math.f90" #include "../math.f90"
@ -434,7 +434,7 @@ subroutine uedinc(inc,incsub)
end do end do
call discretization_Marc_UpdateNodeAndIpCoords(d_n) call discretization_Marc_UpdateNodeAndIpCoords(d_n)
call materialpoint_results(int(inc),cptim) call materialpoint_result(int(inc),cptim)
inc_written = int(inc) inc_written = int(inc)
end if end if

34
src/Marc/discretization_Marc.f90
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@ -15,7 +15,7 @@ module discretization_Marc
use element use element
use discretization use discretization
use geometry_plastic_nonlocal use geometry_plastic_nonlocal
use results use result
implicit none(type,external) implicit none(type,external)
private private
@ -110,7 +110,7 @@ subroutine discretization_Marc_init
call geometry_plastic_nonlocal_setIParea(norm2(unscaledNormals,1)) call geometry_plastic_nonlocal_setIParea(norm2(unscaledNormals,1))
call geometry_plastic_nonlocal_setIPareaNormal(unscaledNormals/spread(norm2(unscaledNormals,1),1,3)) call geometry_plastic_nonlocal_setIPareaNormal(unscaledNormals/spread(norm2(unscaledNormals,1),1,3))
call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(elem)) call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(elem))
call geometry_plastic_nonlocal_results call geometry_plastic_nonlocal_result
end subroutine discretization_Marc_init end subroutine discretization_Marc_init
@ -167,23 +167,23 @@ subroutine writeGeometry(elem, &
coordinates_points coordinates_points
call results_openJobFile call result_openJobFile
call results_closeGroup(results_addGroup('geometry')) call result_closeGroup(result_addGroup('geometry'))
call results_writeDataset(connectivity_elem,'geometry','T_e',& call result_writeDataset(connectivity_elem,'geometry','T_e',&
'connectivity of the elements','-') 'connectivity of the elements','-')
call results_writeDataset(connectivity_cell_reshaped,'geometry','T_c', & call result_writeDataset(connectivity_cell_reshaped,'geometry','T_c', &
'connectivity of the cells','-') 'connectivity of the cells','-')
call results_addAttribute('VTK_TYPE',elem%vtkType,'geometry/T_c') call result_addAttribute('VTK_TYPE',elem%vtkType,'geometry/T_c')
call results_writeDataset(coordinates_nodes,'geometry','x_n', & call result_writeDataset(coordinates_nodes,'geometry','x_n', &
'initial coordinates of the nodes','m') 'initial coordinates of the nodes','m')
call results_writeDataset(coordinates_points,'geometry','x_p', & call result_writeDataset(coordinates_points,'geometry','x_p', &
'initial coordinates of the materialpoints (cell centers)','m') 'initial coordinates of the materialpoints (cell centers)','m')
call results_closeJobFile call result_closeJobFile
end subroutine writeGeometry end subroutine writeGeometry
@ -216,11 +216,11 @@ subroutine inputRead(elem,node0_elem,connectivity_elem,materialAt)
mapElemSet !< list of elements in elementSet mapElemSet !< list of elements in elementSet
call results_openJobFile call result_openJobFile
call results_writeDataset_str(IO_read(trim(getSolverJobName())//InputFileExtension), 'setup', & call result_writeDataset_str(IO_read(trim(getSolverJobName())//InputFileExtension), 'setup', &
trim(getSolverJobName())//InputFileExtension, & trim(getSolverJobName())//InputFileExtension, &
'MSC.Marc input deck') 'MSC.Marc input deck')
call results_closeJobFile call result_closeJobFile
inputFile = IO_readlines(trim(getSolverJobName())//InputFileExtension) inputFile = IO_readlines(trim(getSolverJobName())//InputFileExtension)
call inputRead_fileFormat(fileFormatVersion, & call inputRead_fileFormat(fileFormatVersion, &

24
src/Marc/materialpoint_Marc.f90
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@ -10,7 +10,7 @@ module materialpoint_Marc
use YAML_types use YAML_types
use YAML_parse use YAML_parse
use HDF5_utilities use HDF5_utilities
use results use result
use config use config
use math use math
use rotations use rotations
@ -65,7 +65,7 @@ module materialpoint_Marc
public :: & public :: &
materialpoint_general, & materialpoint_general, &
materialpoint_initAll, & materialpoint_initAll, &
materialpoint_results materialpoint_result
contains contains
@ -81,7 +81,7 @@ subroutine materialpoint_initAll()
call YAML_types_init() call YAML_types_init()
call YAML_parse_init() call YAML_parse_init()
call HDF5_utilities_init() call HDF5_utilities_init()
call results_init(.false.) call result_init(.false.)
call config_init() call config_init()
call math_init() call math_init()
call rotations_init() call rotations_init()
@ -266,19 +266,19 @@ end subroutine materialpoint_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Trigger writing of results. !> @brief Trigger writing of results.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine materialpoint_results(inc,time) subroutine materialpoint_result(inc,time)
integer, intent(in) :: inc integer, intent(in) :: inc
real(pReal), intent(in) :: time real(pReal), intent(in) :: time
call results_openJobFile call result_openJobFile
call results_addIncrement(inc,time) call result_addIncrement(inc,time)
call phase_results call phase_result
call homogenization_results call homogenization_result
call discretization_results call discretization_result
call results_finalizeIncrement call result_finalizeIncrement
call results_closeJobFile call result_closeJobFile
end subroutine materialpoint_results end subroutine materialpoint_result
end module materialpoint_Marc end module materialpoint_Marc

20
src/config.f90
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@ -6,7 +6,7 @@ module config
use IO use IO
use YAML_parse use YAML_parse
use YAML_types use YAML_types
use results use result
use parallelization use parallelization
implicit none(type,external) implicit none(type,external)
@ -52,9 +52,9 @@ subroutine parse_material()
if (worldrank == 0) then if (worldrank == 0) then
print'(/,1x,a)', 'reading material.yaml'; flush(IO_STDOUT) print'(/,1x,a)', 'reading material.yaml'; flush(IO_STDOUT)
fileContent = IO_read('material.yaml') fileContent = IO_read('material.yaml')
call results_openJobFile(parallel=.false.) call result_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup','material.yaml','main configuration') call result_writeDataset_str(fileContent,'setup','material.yaml','main configuration')
call results_closeJobFile call result_closeJobFile
end if end if
call parallelization_bcast_str(fileContent) call parallelization_bcast_str(fileContent)
@ -81,9 +81,9 @@ subroutine parse_numerics()
print'(1x,a)', 'reading numerics.yaml'; flush(IO_STDOUT) print'(1x,a)', 'reading numerics.yaml'; flush(IO_STDOUT)
fileContent = IO_read('numerics.yaml') fileContent = IO_read('numerics.yaml')
if (len(fileContent) > 0) then if (len(fileContent) > 0) then
call results_openJobFile(parallel=.false.) call result_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup','numerics.yaml','numerics configuration') call result_writeDataset_str(fileContent,'setup','numerics.yaml','numerics configuration')
call results_closeJobFile call result_closeJobFile
end if end if
end if end if
call parallelization_bcast_str(fileContent) call parallelization_bcast_str(fileContent)
@ -113,9 +113,9 @@ subroutine parse_debug()
print'(1x,a)', 'reading debug.yaml'; flush(IO_STDOUT) print'(1x,a)', 'reading debug.yaml'; flush(IO_STDOUT)
fileContent = IO_read('debug.yaml') fileContent = IO_read('debug.yaml')
if (len(fileContent) > 0) then if (len(fileContent) > 0) then
call results_openJobFile(parallel=.false.) call result_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup','debug.yaml','debug configuration') call result_writeDataset_str(fileContent,'setup','debug.yaml','debug configuration')
call results_closeJobFile call result_closeJobFile
end if end if
end if end if
call parallelization_bcast_str(fileContent) call parallelization_bcast_str(fileContent)

14
src/discretization.f90
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@ -5,7 +5,7 @@
module discretization module discretization
use prec use prec
use results use result
implicit none(type,external) implicit none(type,external)
private private
@ -29,7 +29,7 @@ module discretization
public :: & public :: &
discretization_init, & discretization_init, &
discretization_results, & discretization_result, &
discretization_setIPcoords, & discretization_setIPcoords, &
discretization_setNodeCoords discretization_setNodeCoords
@ -76,21 +76,21 @@ end subroutine discretization_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief write the displacements !> @brief write the displacements
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine discretization_results subroutine discretization_result()
real(pReal), dimension(:,:), allocatable :: u real(pReal), dimension(:,:), allocatable :: u
call results_closeGroup(results_addGroup('current/geometry')) call result_closeGroup(result_addGroup('current/geometry'))
u = discretization_NodeCoords (:,:discretization_sharedNodesBegin) & u = discretization_NodeCoords (:,:discretization_sharedNodesBegin) &
- discretization_NodeCoords0(:,:discretization_sharedNodesBegin) - discretization_NodeCoords0(:,:discretization_sharedNodesBegin)
call results_writeDataset(u,'current/geometry','u_n','displacements of the nodes','m') call result_writeDataset(u,'current/geometry','u_n','displacements of the nodes','m')
u = discretization_IPcoords & u = discretization_IPcoords &
- discretization_IPcoords0 - discretization_IPcoords0
call results_writeDataset(u,'current/geometry','u_p','displacements of the materialpoints (cell centers)','m') call result_writeDataset(u,'current/geometry','u_p','displacements of the materialpoints (cell centers)','m')
end subroutine discretization_results end subroutine discretization_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

22
src/geometry_plastic_nonlocal.f90
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@ -7,7 +7,7 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module geometry_plastic_nonlocal module geometry_plastic_nonlocal
use prec use prec
use results use result
implicit none(type,external) implicit none(type,external)
public public
@ -110,39 +110,39 @@ end subroutine geometry_plastic_nonlocal_disable
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
!> @brief Write geometry data to results file !> @brief Write geometry data to results file
!--------------------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------------------
subroutine geometry_plastic_nonlocal_results subroutine geometry_plastic_nonlocal_result()
integer, dimension(:), allocatable :: shp integer, dimension(:), allocatable :: shp
call results_openJobFile call result_openJobFile
writeVolume: block writeVolume: block
real(pReal), dimension(:), allocatable :: temp real(pReal), dimension(:), allocatable :: temp
shp = shape(geometry_plastic_nonlocal_IPvolume0) shp = shape(geometry_plastic_nonlocal_IPvolume0)
temp = reshape(geometry_plastic_nonlocal_IPvolume0,[shp(1)*shp(2)]) temp = reshape(geometry_plastic_nonlocal_IPvolume0,[shp(1)*shp(2)])
call results_writeDataset(temp,'geometry','v_0',& call result_writeDataset(temp,'geometry','v_0',&
'initial cell volume','m³') 'initial cell volume','m³')
end block writeVolume end block writeVolume
writeAreas: block writeAreas: block
real(pReal), dimension(:,:), allocatable :: temp real(pReal), dimension(:,:), allocatable :: temp
shp = shape(geometry_plastic_nonlocal_IParea0) shp = shape(geometry_plastic_nonlocal_IParea0)
temp = reshape(geometry_plastic_nonlocal_IParea0,[shp(1),shp(2)*shp(3)]) temp = reshape(geometry_plastic_nonlocal_IParea0,[shp(1),shp(2)*shp(3)])
call results_writeDataset(temp,'geometry','a_0',& call result_writeDataset(temp,'geometry','a_0',&
'initial cell face area','m²') 'initial cell face area','m²')
end block writeAreas end block writeAreas
writeNormals: block writeNormals: block
real(pReal), dimension(:,:,:), allocatable :: temp real(pReal), dimension(:,:,:), allocatable :: temp
shp = shape(geometry_plastic_nonlocal_IPareaNormal0) shp = shape(geometry_plastic_nonlocal_IPareaNormal0)
temp = reshape(geometry_plastic_nonlocal_IPareaNormal0,[shp(1),shp(2),shp(3)*shp(4)]) temp = reshape(geometry_plastic_nonlocal_IPareaNormal0,[shp(1),shp(2),shp(3)*shp(4)])
call results_writeDataset(temp,'geometry','n_0',& call result_writeDataset(temp,'geometry','n_0',&
'initial cell face normals','-',transposed=.false.) 'initial cell face normals','-',transposed=.false.)
end block writeNormals end block writeNormals
call results_closeJobFile call result_closeJobFile
end subroutine geometry_plastic_nonlocal_results end subroutine geometry_plastic_nonlocal_result
end module geometry_plastic_nonlocal end module geometry_plastic_nonlocal

32
src/grid/DAMASK_grid.f90
View File

@ -15,7 +15,7 @@ program DAMASK_grid
use prec use prec
use parallelization use parallelization
use signals use signal
use CLI use CLI
use IO use IO
use config use config
@ -28,7 +28,7 @@ program DAMASK_grid
use grid_mechanical_FEM use grid_mechanical_FEM
use grid_damage_spectral use grid_damage_spectral
use grid_thermal_spectral use grid_thermal_spectral
use results use result
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY) #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
implicit none(type,external) implicit none(type,external)
@ -73,7 +73,7 @@ program DAMASK_grid
guess, & !< guess along former trajectory guess, & !< guess along former trajectory
stagIterate, & stagIterate, &
cutBack = .false.,& cutBack = .false.,&
signal sig
integer :: & integer :: &
i, j, m, field, & i, j, m, field, &
errorID = 0, & errorID = 0, &
@ -145,9 +145,9 @@ program DAMASK_grid
fileContent = IO_read(CLI_loadFile) fileContent = IO_read(CLI_loadFile)
fname = CLI_loadFile fname = CLI_loadFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:) if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.) call result_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',fname,'load case definition (grid solver)') call result_writeDataset_str(fileContent,'setup',fname,'load case definition (grid solver)')
call results_closeJobFile call result_closeJobFile
end if end if
call parallelization_bcast_str(fileContent) call parallelization_bcast_str(fileContent)
@ -343,7 +343,7 @@ program DAMASK_grid
writeUndeformed: if (CLI_restartInc < 1) then writeUndeformed: if (CLI_restartInc < 1) then
print'(/,1x,a)', '... writing initial configuration to file .................................' print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT) flush(IO_STDOUT)
call materialpoint_results(0,0.0_pReal) call materialpoint_result(0,0.0_pReal)
end if writeUndeformed end if writeUndeformed
loadCaseLooping: do l = 1, size(loadCases) loadCaseLooping: do l = 1, size(loadCases)
@ -465,17 +465,17 @@ program DAMASK_grid
print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' NOT converged' print'(/,1x,a,i0,a)', 'increment ', totalIncsCounter, ' NOT converged'
end if; flush(IO_STDOUT) end if; flush(IO_STDOUT)
call MPI_Allreduce(signals_SIGUSR1,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI) call MPI_Allreduce(signal_SIGUSR1,sig,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 (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
if (mod(inc,loadCases(l)%f_out) == 0 .or. signal) then if (mod(inc,loadCases(l)%f_out) == 0 .or. sig) then
print'(/,1x,a)', '... writing results to file ...............................................' print'(/,1x,a)', '... writing results to file ...............................................'
flush(IO_STDOUT) flush(IO_STDOUT)
call materialpoint_results(totalIncsCounter,t) call materialpoint_result(totalIncsCounter,t)
end if end if
if (signal) call signals_setSIGUSR1(.false.) if (sig) call signal_setSIGUSR1(.false.)
call MPI_Allreduce(signals_SIGUSR2,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI) call MPI_Allreduce(signal_SIGUSR2,sig,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 (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
if (mod(inc,loadCases(l)%f_restart) == 0 .or. signal) then if (mod(inc,loadCases(l)%f_restart) == 0 .or. sig) then
do field = 1, nActiveFields do field = 1, nActiveFields
select case (ID(field)) select case (ID(field))
case(FIELD_MECH_ID) case(FIELD_MECH_ID)
@ -488,10 +488,10 @@ program DAMASK_grid
end do end do
call materialpoint_restartWrite call materialpoint_restartWrite
end if end if
if (signal) call signals_setSIGUSR2(.false.) if (sig) call signal_setSIGUSR2(.false.)
call MPI_Allreduce(signals_SIGINT,signal,1_MPI_INTEGER_KIND,MPI_LOGICAL,MPI_LOR,MPI_COMM_WORLD,err_MPI) call MPI_Allreduce(signal_SIGINT,sig,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 (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
if (signal) exit loadCaseLooping if (sig) exit loadCaseLooping
end if skipping end if skipping
end do incLooping end do incLooping

20
src/grid/discretization_grid.f90
View File

@ -19,7 +19,7 @@ module discretization_grid
use CLI use CLI
use IO use IO
use config use config
use results use result
use discretization use discretization
use geometry_plastic_nonlocal use geometry_plastic_nonlocal
@ -89,9 +89,9 @@ subroutine discretization_grid_init(restart)
call IO_error(180,ext_msg='mismatch in # of material IDs and cells') call IO_error(180,ext_msg='mismatch in # of material IDs and cells')
fname = CLI_geomFile fname = CLI_geomFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:) if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call results_openJobFile(parallel=.false.) call result_openJobFile(parallel=.false.)
call results_writeDataset_str(fileContent,'setup',fname,'geometry definition (grid solver)') call result_writeDataset_str(fileContent,'setup',fname,'geometry definition (grid solver)')
call results_closeJobFile call result_closeJobFile
else else
allocate(materialAt_global(0)) ! needed for IntelMPI allocate(materialAt_global(0)) ! needed for IntelMPI
end if end if
@ -147,12 +147,12 @@ subroutine discretization_grid_init(restart)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! store geometry information for post processing ! store geometry information for post processing
if (.not. restart) then if (.not. restart) then
call results_openJobFile call result_openJobFile
call results_closeGroup(results_addGroup('geometry')) call result_closeGroup(result_addGroup('geometry'))
call results_addAttribute('cells', cells, '/geometry') call result_addAttribute('cells', cells, '/geometry')
call results_addAttribute('size', geomSize,'/geometry') call result_addAttribute('size', geomSize,'/geometry')
call results_addAttribute('origin',origin, '/geometry') call result_addAttribute('origin',origin, '/geometry')
call results_closeJobFile call result_closeJobFile
end if end if
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

7
src/grid/grid_mech_FEM.f90
View File

@ -602,13 +602,12 @@ subroutine formResidual(da_local,x_local, &
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! constructing residual ! constructing residual
call VecSet(f_local,0.0_pReal,err_PETSc)
CHKERRQ(err_PETSc)
call DMDAVecGetArrayF90(da_local,f_local,r,err_PETSc) call DMDAVecGetArrayF90(da_local,f_local,r,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecGetArrayF90(da_local,x_local,x_scal,err_PETSc) call DMDAVecGetArrayF90(da_local,x_local,x_scal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
ele = 0 ele = 0
r = 0.0_pReal
do k = cells3Offset+1, cells3Offset+cells3; do j = 1, cells(2); do i = 1, cells(1) do k = cells3Offset+1, cells3Offset+cells3; do j = 1, cells(2); do i = 1, cells(1)
ctr = 0 ctr = 0
do kk = -1, 0; do jj = -1, 0; do ii = -1, 0 do kk = -1, 0; do jj = -1, 0; do ii = -1, 0
@ -628,13 +627,9 @@ subroutine formResidual(da_local,x_local, &
end do; end do; end do end do; end do; end do
call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,err_PETSc) call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
call DMDAVecRestoreArrayF90(da_local,f_local,r,err_PETSc)
CHKERRQ(err_PETSc)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! applying boundary conditions ! applying boundary conditions
call DMDAVecGetArrayF90(da_local,f_local,r,err_PETSc)
CHKERRQ(err_PETSc)
if (cells3Offset == 0) then if (cells3Offset == 0) then
r(0:2,0, 0, 0) = 0.0_pReal r(0:2,0, 0, 0) = 0.0_pReal
r(0:2,cells(1),0, 0) = 0.0_pReal r(0:2,cells(1),0, 0) = 0.0_pReal

41
src/grid/spectral_utilities.f90
View File

@ -986,9 +986,9 @@ subroutine utilities_updateCoords(F)
real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: F real(pReal), dimension(3,3,cells(1),cells(2),cells3), intent(in) :: F
real(pReal), dimension(3, cells(1),cells(2),cells3) :: IPcoords real(pReal), dimension(3, cells(1),cells(2),cells3) :: x_p !< Point/cell center coordinates
real(pReal), dimension(3, cells(1),cells(2),cells3+2) :: IPfluct_padded ! Fluctuations of cell center displacement (padded along z for MPI) real(pReal), dimension(3, cells(1),cells(2),0:cells3+1) :: u_tilde_p_padded !< Fluctuation of cell center displacement (padded along z for MPI)
real(pReal), dimension(3, cells(1)+1,cells(2)+1,cells3+1) :: nodeCoords real(pReal), dimension(3, cells(1)+1,cells(2)+1,cells3+1) :: x_n !< Node coordinates
integer :: & integer :: &
i,j,k,n, & i,j,k,n, &
c c
@ -1030,7 +1030,7 @@ subroutine utilities_updateCoords(F)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! integration in Fourier space to get fluctuations of cell center discplacements ! integration in Fourier space to get fluctuations of cell center displacements
!$OMP PARALLEL DO !$OMP PARALLEL DO
do j = 1, cells2; do k = 1, cells(3); do i = 1, cells1Red do j = 1, cells2; do k = 1, cells(3); do i = 1, cells1Red
if (any([i,j+cells2Offset,k] /= 1)) then if (any([i,j+cells2Offset,k] /= 1)) then
@ -1043,25 +1043,24 @@ subroutine utilities_updateCoords(F)
!$OMP END PARALLEL DO !$OMP END PARALLEL DO
call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real) call fftw_mpi_execute_dft_c2r(planVectorBack,vectorField_fourier,vectorField_real)
vectorField_real = vectorField_real * wgt ! normalize the result by number of elements u_tilde_p_padded(1:3,1:cells(1),1:cells(2),1:cells3) = vectorField_real(1:3,1:cells(1),1:cells(2),1:cells3) * wgt
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! pad cell center fluctuations along z-direction (needed when running MPI simulation) ! pad cell center fluctuations along z-direction (needed when running MPI simulation)
IPfluct_padded(1:3,1:cells(1),1:cells(2),2:cells3+1) = vectorField_real(1:3,1:cells(1),1:cells(2),1:cells3) c = product(shape(u_tilde_p_padded(:,:,:,1))) !< amount of data to transfer
c = product(shape(IPfluct_padded(:,:,:,1))) !< amount of data to transfer
rank_t = modulo(worldrank+1_MPI_INTEGER_KIND,worldsize) rank_t = modulo(worldrank+1_MPI_INTEGER_KIND,worldsize)
rank_b = modulo(worldrank-1_MPI_INTEGER_KIND,worldsize) rank_b = modulo(worldrank-1_MPI_INTEGER_KIND,worldsize)
! send bottom layer to process below ! send bottom layer to process below
call MPI_Isend(IPfluct_padded(:,:,:,2), c,MPI_DOUBLE,rank_b,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,request(1),err_MPI) call MPI_Isend(u_tilde_p_padded(:,:,:,1), c,MPI_DOUBLE,rank_b,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,request(1),err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
call MPI_Irecv(IPfluct_padded(:,:,:,cells3+2),c,MPI_DOUBLE,rank_t,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,request(2),err_MPI) call MPI_Irecv(u_tilde_p_padded(:,:,:,cells3+1),c,MPI_DOUBLE,rank_t,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,request(2),err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
! send top layer to process above ! send top layer to process above
call MPI_Isend(IPfluct_padded(:,:,:,cells3+1),c,MPI_DOUBLE,rank_t,1_MPI_INTEGER_KIND,MPI_COMM_WORLD,request(3),err_MPI) call MPI_Isend(u_tilde_p_padded(:,:,:,cells3) ,c,MPI_DOUBLE,rank_t,1_MPI_INTEGER_KIND,MPI_COMM_WORLD,request(3),err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
call MPI_Irecv(IPfluct_padded(:,:,:,1), c,MPI_DOUBLE,rank_b,1_MPI_INTEGER_KIND,MPI_COMM_WORLD,request(4),err_MPI) call MPI_Irecv(u_tilde_p_padded(:,:,:,0), c,MPI_DOUBLE,rank_b,1_MPI_INTEGER_KIND,MPI_COMM_WORLD,request(4),err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
call MPI_Waitall(4,request,status,err_MPI) call MPI_Waitall(4,request,status,err_MPI)
@ -1073,26 +1072,26 @@ subroutine utilities_updateCoords(F)
#endif #endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate nodal displacements ! calculate nodal positions
nodeCoords = 0.0_pReal x_n = 0.0_pReal
do j = 0,cells(2); do k = 0,cells3; do i = 0,cells(1) do j = 0,cells(2); do k = 0,cells3; do i = 0,cells(1)
nodeCoords(1:3,i+1,j+1,k+1) = matmul(Favg,step*(real([i,j,k+cells3Offset],pReal))) x_n(1:3,i+1,j+1,k+1) = matmul(Favg,step*(real([i,j,k+cells3Offset],pReal)))
averageFluct: do n = 1,8 averageFluct: do n = 1,8
me = [i+neighbor(1,n),j+neighbor(2,n),k+neighbor(3,n)] me = [i+neighbor(1,n),j+neighbor(2,n),k+neighbor(3,n)]
nodeCoords(1:3,i+1,j+1,k+1) = nodeCoords(1:3,i+1,j+1,k+1) & x_n(1:3,i+1,j+1,k+1) = x_n(1:3,i+1,j+1,k+1) &
+ IPfluct_padded(1:3,modulo(me(1)-1,cells(1))+1,modulo(me(2)-1,cells(2))+1,me(3)+1)*0.125_pReal + u_tilde_p_padded(1:3,modulo(me(1)-1,cells(1))+1,modulo(me(2)-1,cells(2))+1,me(3))*0.125_pReal
end do averageFluct end do averageFluct
end do; end do; end do end do; end do; end do
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! calculate cell center displacements ! calculate cell center/point positions
do k = 1,cells3; do j = 1,cells(2); do i = 1,cells(1) do k = 1,cells3; do j = 1,cells(2); do i = 1,cells(1)
IPcoords(1:3,i,j,k) = vectorField_real(1:3,i,j,k) & x_p(1:3,i,j,k) = u_tilde_p_padded(1:3,i,j,k) &
+ matmul(Favg,step*(real([i,j,k+cells3Offset],pReal)-0.5_pReal)) + matmul(Favg,step*(real([i,j,k+cells3Offset],pReal)-0.5_pReal))
end do; end do; end do end do; end do; end do
call discretization_setNodeCoords(reshape(NodeCoords,[3,(cells(1)+1)*(cells(2)+1)*(cells3+1)])) call discretization_setNodeCoords(reshape(x_n,[3,(cells(1)+1)*(cells(2)+1)*(cells3+1)]))
call discretization_setIPcoords (reshape(IPcoords, [3,cells(1)*cells(2)*cells3])) call discretization_setIPcoords (reshape(x_p,[3,cells(1)*cells(2)*cells3]))
end subroutine utilities_updateCoords end subroutine utilities_updateCoords

34
src/homogenization.f90
View File

@ -15,7 +15,7 @@ module homogenization
use discretization use discretization
use HDF5 use HDF5
use HDF5_utilities use HDF5_utilities
use results use result
use lattice use lattice
implicit none(type,external) implicit none(type,external)
@ -101,20 +101,20 @@ module homogenization
ce !< cell ce !< cell
end subroutine mechanical_homogenize end subroutine mechanical_homogenize
module subroutine mechanical_results(group_base,ho) module subroutine mechanical_result(group_base,ho)
character(len=*), intent(in) :: group_base character(len=*), intent(in) :: group_base
integer, intent(in) :: ho integer, intent(in) :: ho
end subroutine mechanical_results end subroutine mechanical_result
module subroutine damage_results(ho,group) module subroutine damage_result(ho,group)
integer, intent(in) :: ho integer, intent(in) :: ho
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine damage_results end subroutine damage_result
module subroutine thermal_results(ho,group) module subroutine thermal_result(ho,group)
integer, intent(in) :: ho integer, intent(in) :: ho
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine thermal_results end subroutine thermal_result
module function mechanical_updateState(subdt,subF,ce) result(doneAndHappy) module function mechanical_updateState(subdt,subF,ce) result(doneAndHappy)
real(pReal), intent(in) :: & real(pReal), intent(in) :: &
@ -194,7 +194,7 @@ module homogenization
homogenization_f_phi, & homogenization_f_phi, &
homogenization_set_phi, & homogenization_set_phi, &
homogenization_forward, & homogenization_forward, &
homogenization_results, & homogenization_result, &
homogenization_restartRead, & homogenization_restartRead, &
homogenization_restartWrite homogenization_restartWrite
@ -349,35 +349,35 @@ end subroutine homogenization_mechanical_response2
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes homogenization results to HDF5 output file !> @brief writes homogenization results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine homogenization_results subroutine homogenization_result
integer :: ho integer :: ho
character(len=:), allocatable :: group_base,group character(len=:), allocatable :: group_base,group
call results_closeGroup(results_addGroup('current/homogenization/')) call result_closeGroup(result_addGroup('current/homogenization/'))
do ho=1,size(material_name_homogenization) do ho=1,size(material_name_homogenization)
group_base = 'current/homogenization/'//trim(material_name_homogenization(ho)) group_base = 'current/homogenization/'//trim(material_name_homogenization(ho))
call results_closeGroup(results_addGroup(group_base)) call result_closeGroup(result_addGroup(group_base))
call mechanical_results(group_base,ho) call mechanical_result(group_base,ho)
if (damage_active(ho)) then if (damage_active(ho)) then
group = trim(group_base)//'/damage' group = trim(group_base)//'/damage'
call results_closeGroup(results_addGroup(group)) call result_closeGroup(result_addGroup(group))
call damage_results(ho,group) call damage_result(ho,group)
end if end if
if (thermal_active(ho)) then if (thermal_active(ho)) then
group = trim(group_base)//'/thermal' group = trim(group_base)//'/thermal'
call results_closeGroup(results_addGroup(group)) call result_closeGroup(result_addGroup(group))
call thermal_results(ho,group) call thermal_result(ho,group)
end if end if
end do end do
end subroutine homogenization_results end subroutine homogenization_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

8
src/homogenization_damage.f90
View File

@ -172,7 +172,7 @@ end subroutine homogenization_set_phi
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief writes results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine damage_results(ho,group) module subroutine damage_result(ho,group)
integer, intent(in) :: ho integer, intent(in) :: ho
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -184,12 +184,12 @@ module subroutine damage_results(ho,group)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(prm%output(o)) select case(prm%output(o))
case ('phi') case ('phi')
call results_writeDataset(current(ho)%phi,group,prm%output(o),& call result_writeDataset(current(ho)%phi,group,prm%output(o),&
'damage indicator','-') 'damage indicator','-')
end select end select
end do outputsLoop end do outputsLoop
end associate end associate
end subroutine damage_results end subroutine damage_result
end submodule damage end submodule damage

20
src/homogenization_mechanical.f90
View File

@ -43,10 +43,10 @@ submodule(homogenization) mechanical
end function RGC_updateState end function RGC_updateState
module subroutine RGC_results(ho,group) module subroutine RGC_result(ho,group)
integer, intent(in) :: ho !< homogenization type integer, intent(in) :: ho !< homogenization type
character(len=*), intent(in) :: group !< group name in HDF5 file character(len=*), intent(in) :: group !< group name in HDF5 file
end subroutine RGC_results end subroutine RGC_result
end interface end interface
@ -183,7 +183,7 @@ end function mechanical_updateState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write results to file. !> @brief Write results to file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine mechanical_results(group_base,ho) module subroutine mechanical_result(group_base,ho)
character(len=*), intent(in) :: group_base character(len=*), intent(in) :: group_base
integer, intent(in) :: ho integer, intent(in) :: ho
@ -193,12 +193,12 @@ module subroutine mechanical_results(group_base,ho)
group = trim(group_base)//'/mechanical' group = trim(group_base)//'/mechanical'
call results_closeGroup(results_addGroup(group)) call result_closeGroup(result_addGroup(group))
select case(mechanical_type(ho)) select case(mechanical_type(ho))
case(MECHANICAL_RGC_ID) case(MECHANICAL_RGC_ID)
call RGC_results(ho,group) call RGC_result(ho,group)
end select end select
@ -206,15 +206,15 @@ module subroutine mechanical_results(group_base,ho)
select case (output_mechanical(ho)%label(ou)) select case (output_mechanical(ho)%label(ou))
case('F') case('F')
call results_writeDataset(reshape(homogenization_F,[3,3,discretization_nCells]),group,'F', & call result_writeDataset(reshape(homogenization_F,[3,3,discretization_nCells]),group,'F', &
'deformation gradient','1') 'deformation gradient','1')
case('P') case('P')
call results_writeDataset(reshape(homogenization_P,[3,3,discretization_nCells]),group,'P', & call result_writeDataset(reshape(homogenization_P,[3,3,discretization_nCells]),group,'P', &
'first Piola-Kirchhoff stress','Pa') 'first Piola-Kirchhoff stress','Pa')
end select end select
end do end do
end subroutine mechanical_results end subroutine mechanical_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

36
src/homogenization_mechanical_RGC.f90
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@ -705,7 +705,7 @@ end function RGC_updateState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief writes results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine RGC_results(ho,group) module subroutine RGC_result(ho,group)
integer, intent(in) :: ho integer, intent(in) :: ho
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -713,25 +713,25 @@ module subroutine RGC_results(ho,group)
integer :: o integer :: o
associate(stt => state(ho), dst => dependentState(ho), prm => param(ho)) associate(stt => state(ho), dst => dependentState(ho), prm => param(ho))
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case('M') case('M')
call results_writeDataset(dst%mismatch,group,trim(prm%output(o)), & call result_writeDataset(dst%mismatch,group,trim(prm%output(o)), &
'average mismatch tensor','1') 'average mismatch tensor','1')
case('Delta_V') case('Delta_V')
call results_writeDataset(dst%volumeDiscrepancy,group,trim(prm%output(o)), & call result_writeDataset(dst%volumeDiscrepancy,group,trim(prm%output(o)), &
'volume discrepancy','m³') 'volume discrepancy','m³')
case('max_dot_a') case('max_dot_a')
call results_writeDataset(dst%relaxationrate_max,group,trim(prm%output(o)), & call result_writeDataset(dst%relaxationrate_max,group,trim(prm%output(o)), &
'maximum relaxation rate','m/s') 'maximum relaxation rate','m/s')
case('avg_dot_a') case('avg_dot_a')
call results_writeDataset(dst%relaxationrate_avg,group,trim(prm%output(o)), & call result_writeDataset(dst%relaxationrate_avg,group,trim(prm%output(o)), &
'average relaxation rate','m/s') 'average relaxation rate','m/s')
end select end select
end do outputsLoop end do outputsLoop
end associate end associate
end subroutine RGC_results end subroutine RGC_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

6
src/homogenization_thermal.f90
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@ -189,7 +189,7 @@ end subroutine homogenization_thermal_setField
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief writes results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine thermal_results(ho,group) module subroutine thermal_result(ho,group)
integer, intent(in) :: ho integer, intent(in) :: ho
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -201,11 +201,11 @@ module subroutine thermal_results(ho,group)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case('T') case('T')
call results_writeDataset(current(ho)%T,group,'T','temperature','K') call result_writeDataset(current(ho)%T,group,'T','temperature','K')
end select end select
end do outputsLoop end do outputsLoop
end associate end associate
end subroutine thermal_results end subroutine thermal_result
end submodule thermal end submodule thermal

10
src/material.f90
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@ -7,7 +7,7 @@
module material module material
use prec use prec
use config use config
use results use result
use math use math
use IO use IO
use rotations use rotations
@ -69,10 +69,10 @@ subroutine material_init(restart)
if (.not. restart) then if (.not. restart) then
call results_openJobFile call result_openJobFile
call results_mapping_phase(material_phaseID,material_phaseEntry,material_name_phase) call result_mapping_phase(material_phaseID,material_phaseEntry,material_name_phase)
call results_mapping_homogenization(material_homogenizationID,material_homogenizationEntry,material_name_homogenization) call result_mapping_homogenization(material_homogenizationID,material_homogenizationEntry,material_name_homogenization)
call results_closeJobFile call result_closeJobFile
end if end if
end subroutine material_init end subroutine material_init

26
src/materialpoint.f90
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@ -5,7 +5,7 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module materialpoint module materialpoint
use parallelization use parallelization
use signals use signal
use CLI use CLI
use prec use prec
use IO use IO
@ -13,7 +13,7 @@ module materialpoint
use YAML_parse use YAML_parse
use HDF5 use HDF5
use HDF5_utilities use HDF5_utilities
use results use result
use config use config
use math use math
use rotations use rotations
@ -45,7 +45,7 @@ subroutine materialpoint_initAll()
call parallelization_init() call parallelization_init()
call CLI_init() ! grid and mesh commandline interface call CLI_init() ! grid and mesh commandline interface
call signals_init() call signal_init()
call prec_init() call prec_init()
call IO_init() call IO_init()
#if defined(MESH) #if defined(MESH)
@ -56,7 +56,7 @@ subroutine materialpoint_initAll()
call YAML_types_init() call YAML_types_init()
call YAML_parse_init() call YAML_parse_init()
call HDF5_utilities_init() call HDF5_utilities_init()
call results_init(restart=CLI_restartInc>0) call result_init(restart=CLI_restartInc>0)
call config_init() call config_init()
call math_init() call math_init()
call rotations_init() call rotations_init()
@ -136,19 +136,19 @@ end subroutine materialpoint_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Trigger writing of results. !> @brief Trigger writing of results.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine materialpoint_results(inc,time) subroutine materialpoint_result(inc,time)
integer, intent(in) :: inc integer, intent(in) :: inc
real(pReal), intent(in) :: time real(pReal), intent(in) :: time
call results_openJobFile() call result_openJobFile()
call results_addIncrement(inc,time) call result_addIncrement(inc,time)
call phase_results() call phase_result()
call homogenization_results() call homogenization_result()
call discretization_results() call discretization_result()
call results_finalizeIncrement() call result_finalizeIncrement()
call results_closeJobFile() call result_closeJobFile()
end subroutine materialpoint_results end subroutine materialpoint_result
end module materialpoint end module materialpoint

4
src/mesh/DAMASK_mesh.f90
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@ -239,7 +239,7 @@ program DAMASK_mesh
print'(/,1x,a)', '... writing initial configuration to file .................................' print'(/,1x,a)', '... writing initial configuration to file .................................'
flush(IO_STDOUT) flush(IO_STDOUT)
call materialpoint_results(0,0.0_pReal) call materialpoint_result(0,0.0_pReal)
loadCaseLooping: do currentLoadCase = 1, size(loadCases) loadCaseLooping: do currentLoadCase = 1, size(loadCases)
time0 = time ! load case start time time0 = time ! load case start time
@ -325,7 +325,7 @@ program DAMASK_mesh
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
print'(/,1x,a)', '... writing results to file ...............................................' print'(/,1x,a)', '... writing results to file ...............................................'
call FEM_mechanical_updateCoords call FEM_mechanical_updateCoords
call materialpoint_results(totalIncsCounter,time) call materialpoint_result(totalIncsCounter,time)
end if end if

23
src/mesh/discretization_mesh.f90
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@ -20,7 +20,7 @@ module discretization_mesh
use IO use IO
use config use config
use discretization use discretization
use results use result
use FEM_quadrature use FEM_quadrature
use YAML_types use YAML_types
use prec use prec
@ -56,11 +56,10 @@ module discretization_mesh
real(pReal), dimension(:,:,:), allocatable :: & real(pReal), dimension(:,:,:), allocatable :: &
mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!) mesh_ipCoordinates !< IP x,y,z coordinates (after deformation!)
external :: &
#ifdef PETSC_USE_64BIT_INDICES #ifdef PETSC_USE_64BIT_INDICES
DMDestroy, & external :: &
DMDestroy
#endif #endif
DMView ! ToDo: write interface
public :: & public :: &
discretization_mesh_init, & discretization_mesh_init, &
mesh_FEM_build_ipVolumes, & mesh_FEM_build_ipVolumes, &
@ -120,8 +119,6 @@ subroutine discretization_mesh_init(restart)
call DMGetStratumSize(globalMesh,'depth',dimPlex,NelemsGlobal,err_PETSc) call DMGetStratumSize(globalMesh,'depth',dimPlex,NelemsGlobal,err_PETSc)
CHKERRQ(err_PETSc) CHKERRQ(err_PETSc)
mesh_NcpElemsGlobal = int(NelemsGlobal) mesh_NcpElemsGlobal = int(NelemsGlobal)
call DMView(globalMesh, PETSC_VIEWER_STDOUT_WORLD,err_PETSc)
CHKERRQ(err_PETSc)
! get number of IDs in face sets (for boundary conditions?) ! get number of IDs in face sets (for boundary conditions?)
call DMGetLabelSize(globalMesh,'Face Sets',Nboundaries,err_PETSc) call DMGetLabelSize(globalMesh,'Face Sets',Nboundaries,err_PETSc)
@ -275,16 +272,16 @@ subroutine writeGeometry(coordinates_points,coordinates_nodes)
coordinates_nodes, & coordinates_nodes, &
coordinates_points coordinates_points
call results_openJobFile call result_openJobFile
call results_closeGroup(results_addGroup('geometry')) call result_closeGroup(result_addGroup('geometry'))
call results_writeDataset(coordinates_nodes,'geometry','x_n', & call result_writeDataset(coordinates_nodes,'geometry','x_n', &
'initial coordinates of the nodes','m') 'initial coordinates of the nodes','m')
call results_writeDataset(coordinates_points,'geometry','x_p', & call result_writeDataset(coordinates_points,'geometry','x_p', &
'initial coordinates of the materialpoints (cell centers)','m') 'initial coordinates of the materialpoints (cell centers)','m')
call results_closeJobFile call result_closeJobFile
end subroutine writeGeometry end subroutine writeGeometry

4
src/parallelization.f90
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@ -65,10 +65,12 @@ subroutine parallelization_init()
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
#ifdef _OPENMP #ifdef _OPENMP
! If openMP is enabled, check if the MPI libary supports it and initialize accordingly. ! If openMP is enabled, check if the MPI libary supports it and initialize accordingly.
! Otherwise, the first call to PETSc will do the initialization.
call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,err_MPI) call MPI_Init_Thread(MPI_THREAD_FUNNELED,threadLevel,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI init failed' if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI init failed'
if (threadLevel<MPI_THREAD_FUNNELED) error stop 'MPI library does not support OpenMP' if (threadLevel<MPI_THREAD_FUNNELED) error stop 'MPI library does not support OpenMP'
#else
call MPI_Init(err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI init failed'
#endif #endif
#if defined(DEBUG) #if defined(DEBUG)

32
src/phase.f90
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@ -13,7 +13,7 @@ module phase
use IO use IO
use config use config
use material use material
use results use result
use lattice use lattice
use discretization use discretization
use parallelization use parallelization
@ -108,20 +108,20 @@ module phase
end subroutine thermal_init end subroutine thermal_init
module subroutine mechanical_results(group,ph) module subroutine mechanical_result(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph integer, intent(in) :: ph
end subroutine mechanical_results end subroutine mechanical_result
module subroutine damage_results(group,ph) module subroutine damage_result(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph integer, intent(in) :: ph
end subroutine damage_results end subroutine damage_result
module subroutine thermal_results(group,ph) module subroutine thermal_result(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph integer, intent(in) :: ph
end subroutine thermal_results end subroutine thermal_result
module subroutine mechanical_forward() module subroutine mechanical_forward()
end subroutine mechanical_forward end subroutine mechanical_forward
@ -343,7 +343,7 @@ module phase
IO, & IO, &
config, & config, &
material, & material, &
results, & result, &
lattice, & lattice, &
discretization, & discretization, &
HDF5_utilities HDF5_utilities
@ -358,7 +358,7 @@ module phase
phase_K_T, & phase_K_T, &
phase_mu_phi, & phase_mu_phi, &
phase_mu_T, & phase_mu_T, &
phase_results, & phase_result, &
phase_allocateState, & phase_allocateState, &
phase_forward, & phase_forward, &
phase_restore, & phase_restore, &
@ -512,26 +512,26 @@ end subroutine phase_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes constitutive results to HDF5 output file !> @brief writes constitutive results to HDF5 output file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine phase_results() subroutine phase_result()
integer :: ph integer :: ph
character(len=:), allocatable :: group character(len=:), allocatable :: group
call results_closeGroup(results_addGroup('/current/phase/')) call result_closeGroup(result_addGroup('/current/phase/'))
do ph = 1, size(material_name_phase) do ph = 1, size(material_name_phase)
group = '/current/phase/'//trim(material_name_phase(ph))//'/' group = '/current/phase/'//trim(material_name_phase(ph))//'/'
call results_closeGroup(results_addGroup(group)) call result_closeGroup(result_addGroup(group))
call mechanical_results(group,ph) call mechanical_result(group,ph)
call damage_results(group,ph) call damage_result(group,ph)
call thermal_results(group,ph) call thermal_result(group,ph)
end do end do
end subroutine phase_results end subroutine phase_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

18
src/phase_damage.f90
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@ -56,15 +56,15 @@ submodule(phase) damage
end subroutine anisobrittle_dotState end subroutine anisobrittle_dotState
module subroutine anisobrittle_results(phase,group) module subroutine anisobrittle_result(phase,group)
integer, intent(in) :: phase integer, intent(in) :: phase
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine anisobrittle_results end subroutine anisobrittle_result
module subroutine isobrittle_results(phase,group) module subroutine isobrittle_result(phase,group)
integer, intent(in) :: phase integer, intent(in) :: phase
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine isobrittle_results end subroutine isobrittle_result
end interface end interface
@ -340,26 +340,26 @@ end subroutine damage_restartRead
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief writes damage sources results to HDF5 output file !< @brief writes damage sources results to HDF5 output file
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
module subroutine damage_results(group,ph) module subroutine damage_result(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph integer, intent(in) :: ph
if (phase_damage(ph) /= DAMAGE_UNDEFINED_ID) & if (phase_damage(ph) /= DAMAGE_UNDEFINED_ID) &
call results_closeGroup(results_addGroup(group//'damage')) call result_closeGroup(result_addGroup(group//'damage'))
sourceType: select case (phase_damage(ph)) sourceType: select case (phase_damage(ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType case (DAMAGE_ISOBRITTLE_ID) sourceType
call isobrittle_results(ph,group//'damage/') call isobrittle_result(ph,group//'damage/')
case (DAMAGE_ANISOBRITTLE_ID) sourceType case (DAMAGE_ANISOBRITTLE_ID) sourceType
call anisobrittle_results(ph,group//'damage/') call anisobrittle_result(ph,group//'damage/')
end select sourceType end select sourceType
end subroutine damage_results end subroutine damage_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

8
src/phase_damage_anisobrittle.f90
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@ -141,9 +141,9 @@ end subroutine anisobrittle_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine anisobrittle_results(phase,group) module subroutine anisobrittle_result(phase,group)
integer, intent(in) :: phase integer, intent(in) :: phase
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -155,12 +155,12 @@ module subroutine anisobrittle_results(phase,group)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case ('f_phi') case ('f_phi')
call results_writeDataset(stt,group,trim(prm%output(o)),'driving force','-') call result_writeDataset(stt,group,trim(prm%output(o)),'driving force','-')
end select end select
end do outputsLoop end do outputsLoop
end associate end associate
end subroutine anisobrittle_results end subroutine anisobrittle_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

6
src/phase_damage_isobrittle.f90
View File

@ -125,7 +125,7 @@ end subroutine isobrittle_deltaState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file. !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine isobrittle_results(phase,group) module subroutine isobrittle_result(phase,group)
integer, intent(in) :: phase integer, intent(in) :: phase
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -138,12 +138,12 @@ module subroutine isobrittle_results(phase,group)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case ('f_phi') case ('f_phi')
call results_writeDataset(stt,group,trim(prm%output(o)),'driving force','-') call result_writeDataset(stt,group,trim(prm%output(o)),'driving force','-')
end select end select
end do outputsLoop end do outputsLoop
end associate end associate
end subroutine isobrittle_results end subroutine isobrittle_result
end submodule isobrittle end submodule isobrittle

64
src/phase_mechanical.f90
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@ -129,35 +129,35 @@ submodule(phase) mechanical
end subroutine plastic_LpAndItsTangents end subroutine plastic_LpAndItsTangents
module subroutine plastic_isotropic_results(ph,group) module subroutine plastic_isotropic_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_isotropic_results end subroutine plastic_isotropic_result
module subroutine plastic_phenopowerlaw_results(ph,group) module subroutine plastic_phenopowerlaw_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_phenopowerlaw_results end subroutine plastic_phenopowerlaw_result
module subroutine plastic_kinehardening_results(ph,group) module subroutine plastic_kinehardening_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_kinehardening_results end subroutine plastic_kinehardening_result
module subroutine plastic_dislotwin_results(ph,group) module subroutine plastic_dislotwin_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_dislotwin_results end subroutine plastic_dislotwin_result
module subroutine plastic_dislotungsten_results(ph,group) module subroutine plastic_dislotungsten_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_dislotungsten_results end subroutine plastic_dislotungsten_result
module subroutine plastic_nonlocal_results(ph,group) module subroutine plastic_nonlocal_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
end subroutine plastic_nonlocal_results end subroutine plastic_nonlocal_result
module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC) module function plastic_dislotwin_homogenizedC(ph,en) result(homogenizedC)
real(pReal), dimension(6,6) :: homogenizedC real(pReal), dimension(6,6) :: homogenizedC
@ -319,7 +319,7 @@ module subroutine mechanical_init(phases)
end subroutine mechanical_init end subroutine mechanical_init
module subroutine mechanical_results(group,ph) module subroutine mechanical_result(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph integer, intent(in) :: ph
@ -330,27 +330,27 @@ module subroutine mechanical_results(group,ph)
select case(phase_plasticity(ph)) select case(phase_plasticity(ph))
case(PLASTIC_ISOTROPIC_ID) case(PLASTIC_ISOTROPIC_ID)
call plastic_isotropic_results(ph,group//'mechanical/') call plastic_isotropic_result(ph,group//'mechanical/')
case(PLASTIC_PHENOPOWERLAW_ID) case(PLASTIC_PHENOPOWERLAW_ID)
call plastic_phenopowerlaw_results(ph,group//'mechanical/') call plastic_phenopowerlaw_result(ph,group//'mechanical/')
case(PLASTIC_KINEHARDENING_ID) case(PLASTIC_KINEHARDENING_ID)
call plastic_kinehardening_results(ph,group//'mechanical/') call plastic_kinehardening_result(ph,group//'mechanical/')
case(PLASTIC_DISLOTWIN_ID) case(PLASTIC_DISLOTWIN_ID)
call plastic_dislotwin_results(ph,group//'mechanical/') call plastic_dislotwin_result(ph,group//'mechanical/')
case(PLASTIC_DISLOTUNGSTEN_ID) case(PLASTIC_DISLOTUNGSTEN_ID)
call plastic_dislotungsten_results(ph,group//'mechanical/') call plastic_dislotungsten_result(ph,group//'mechanical/')
case(PLASTIC_NONLOCAL_ID) case(PLASTIC_NONLOCAL_ID)
call plastic_nonlocal_results(ph,group//'mechanical/') call plastic_nonlocal_result(ph,group//'mechanical/')
end select end select
end subroutine mechanical_results end subroutine mechanical_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -898,41 +898,41 @@ subroutine results(group,ph)
integer :: ou integer :: ou
call results_closeGroup(results_addGroup(group//'/mechanical')) call result_closeGroup(result_addGroup(group//'/mechanical'))
do ou = 1, size(output_mechanical(ph)%label) do ou = 1, size(output_mechanical(ph)%label)
select case (output_mechanical(ph)%label(ou)) select case (output_mechanical(ph)%label(ou))
case('F') case('F')
call results_writeDataset(phase_mechanical_F(ph)%data,group//'/mechanical/','F',& call result_writeDataset(phase_mechanical_F(ph)%data,group//'/mechanical/','F',&
'deformation gradient','1') 'deformation gradient','1')
case('F_e') case('F_e')
call results_writeDataset(phase_mechanical_Fe(ph)%data,group//'/mechanical/','F_e',& call result_writeDataset(phase_mechanical_Fe(ph)%data,group//'/mechanical/','F_e',&
'elastic deformation gradient','1') 'elastic deformation gradient','1')
case('F_p') case('F_p')
call results_writeDataset(phase_mechanical_Fp(ph)%data,group//'/mechanical/','F_p', & call result_writeDataset(phase_mechanical_Fp(ph)%data,group//'/mechanical/','F_p', &
'plastic deformation gradient','1') 'plastic deformation gradient','1')
case('F_i') case('F_i')
call results_writeDataset(phase_mechanical_Fi(ph)%data,group//'/mechanical/','F_i', & call result_writeDataset(phase_mechanical_Fi(ph)%data,group//'/mechanical/','F_i', &
'inelastic deformation gradient','1') 'inelastic deformation gradient','1')
case('L_p') case('L_p')
call results_writeDataset(phase_mechanical_Lp(ph)%data,group//'/mechanical/','L_p', & call result_writeDataset(phase_mechanical_Lp(ph)%data,group//'/mechanical/','L_p', &
'plastic velocity gradient','1/s') 'plastic velocity gradient','1/s')
case('L_i') case('L_i')
call results_writeDataset(phase_mechanical_Li(ph)%data,group//'/mechanical/','L_i', & call result_writeDataset(phase_mechanical_Li(ph)%data,group//'/mechanical/','L_i', &
'inelastic velocity gradient','1/s') 'inelastic velocity gradient','1/s')
case('P') case('P')
call results_writeDataset(phase_mechanical_P(ph)%data,group//'/mechanical/','P', & call result_writeDataset(phase_mechanical_P(ph)%data,group//'/mechanical/','P', &
'first Piola-Kirchhoff stress','Pa') 'first Piola-Kirchhoff stress','Pa')
case('S') case('S')
call results_writeDataset(phase_mechanical_S(ph)%data,group//'/mechanical/','S', & call result_writeDataset(phase_mechanical_S(ph)%data,group//'/mechanical/','S', &
'second Piola-Kirchhoff stress','Pa') 'second Piola-Kirchhoff stress','Pa')
case('O') case('O')
call results_writeDataset(to_quaternion(phase_O(ph)%data),group//'/mechanical','O', & call result_writeDataset(to_quaternion(phase_O(ph)%data),group//'/mechanical','O', &
'crystal orientation as quaternion q_0 (q_1 q_2 q_3)','1') 'crystal orientation as quaternion q_0 (q_1 q_2 q_3)','1')
call results_addAttribute('lattice',phase_lattice(ph),group//'/mechanical/O') call result_addAttribute('lattice',phase_lattice(ph),group//'/mechanical/O')
if (any(phase_lattice(ph) == ['hP', 'tI'])) & if (any(phase_lattice(ph) == ['hP', 'tI'])) &
call results_addAttribute('c/a',phase_cOverA(ph),group//'/mechanical/O') call result_addAttribute('c/a',phase_cOverA(ph),group//'/mechanical/O')
end select end select
end do end do

24
src/phase_mechanical_plastic_dislotungsten.f90
View File

@ -404,7 +404,7 @@ end subroutine dislotungsten_dependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file. !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotungsten_results(ph,group) module subroutine plastic_dislotungsten_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -419,27 +419,27 @@ module subroutine plastic_dislotungsten_results(ph,group)
select case(trim(prm%output(ou))) select case(trim(prm%output(ou)))
case('rho_mob') case('rho_mob')
call results_writeDataset(stt%rho_mob,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_mob,group,trim(prm%output(ou)), &
'mobile dislocation density','1/m²',prm%systems_sl) 'mobile dislocation density','1/m²',prm%systems_sl)
case('rho_dip') case('rho_dip')
call results_writeDataset(stt%rho_dip,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_dip,group,trim(prm%output(ou)), &
'dislocation dipole density','1/m²',prm%systems_sl) 'dislocation dipole density','1/m²',prm%systems_sl)
case('gamma_sl') case('gamma_sl')
call results_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), & call result_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), &
'plastic shear','1',prm%systems_sl) 'plastic shear','1',prm%systems_sl)
case('Lambda_sl') case('Lambda_sl')
call results_writeDataset(dst%Lambda_sl,group,trim(prm%output(ou)), & call result_writeDataset(dst%Lambda_sl,group,trim(prm%output(ou)), &
'mean free path for slip','m',prm%systems_sl) 'mean free path for slip','m',prm%systems_sl)
case('tau_pass') case('tau_pass')
call results_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), & call result_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), &
'threshold stress for slip','Pa',prm%systems_sl) 'threshold stress for slip','Pa',prm%systems_sl)
end select end select
end do end do
end associate end associate
end subroutine plastic_dislotungsten_results end subroutine plastic_dislotungsten_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

34
src/phase_mechanical_plastic_dislotwin.f90
View File

@ -768,7 +768,7 @@ end subroutine dislotwin_dependentState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file. !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotwin_results(ph,group) module subroutine plastic_dislotwin_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -783,30 +783,30 @@ module subroutine plastic_dislotwin_results(ph,group)
select case(trim(prm%output(ou))) select case(trim(prm%output(ou)))
case('rho_mob') case('rho_mob')
call results_writeDataset(stt%rho_mob,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_mob,group,trim(prm%output(ou)), &
'mobile dislocation density','1/m²',prm%systems_sl) 'mobile dislocation density','1/m²',prm%systems_sl)
case('rho_dip') case('rho_dip')
call results_writeDataset(stt%rho_dip,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_dip,group,trim(prm%output(ou)), &
'dislocation dipole density','1/m²',prm%systems_sl) 'dislocation dipole density','1/m²',prm%systems_sl)
case('gamma_sl') case('gamma_sl')
call results_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), & call result_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), &
'plastic shear','1',prm%systems_sl) 'plastic shear','1',prm%systems_sl)
case('Lambda_sl') case('Lambda_sl')
call results_writeDataset(dst%Lambda_sl,group,trim(prm%output(ou)), & call result_writeDataset(dst%Lambda_sl,group,trim(prm%output(ou)), &
'mean free path for slip','m',prm%systems_sl) 'mean free path for slip','m',prm%systems_sl)
case('tau_pass') case('tau_pass')
call results_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), & call result_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), &
'passing stress for slip','Pa',prm%systems_sl) 'passing stress for slip','Pa',prm%systems_sl)
case('f_tw') case('f_tw')
call results_writeDataset(stt%f_tw,group,trim(prm%output(ou)), & call result_writeDataset(stt%f_tw,group,trim(prm%output(ou)), &
'twinned volume fraction','m³/m³',prm%systems_tw) 'twinned volume fraction','m³/m³',prm%systems_tw)
case('Lambda_tw') case('Lambda_tw')
call results_writeDataset(dst%Lambda_tw,group,trim(prm%output(ou)), & call result_writeDataset(dst%Lambda_tw,group,trim(prm%output(ou)), &
'mean free path for twinning','m',prm%systems_tw) 'mean free path for twinning','m',prm%systems_tw)
case('f_tr') case('f_tr')
if (prm%sum_N_tr>0) call results_writeDataset(stt%f_tr,group,trim(prm%output(ou)), & if (prm%sum_N_tr>0) call result_writeDataset(stt%f_tr,group,trim(prm%output(ou)), &
'martensite volume fraction','m³/m³') 'martensite volume fraction','m³/m³')
end select end select
@ -815,7 +815,7 @@ module subroutine plastic_dislotwin_results(ph,group)
end associate end associate
end subroutine plastic_dislotwin_results end subroutine plastic_dislotwin_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

8
src/phase_mechanical_plastic_isotropic.f90
View File

@ -286,7 +286,7 @@ end function isotropic_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file. !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_results(ph,group) module subroutine plastic_isotropic_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -297,13 +297,13 @@ module subroutine plastic_isotropic_results(ph,group)
outputsLoop: do o = 1,size(prm%output) outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o))) select case(trim(prm%output(o)))
case ('xi') case ('xi')
call results_writeDataset(stt%xi,group,trim(prm%output(o)), & call result_writeDataset(stt%xi,group,trim(prm%output(o)), &
'resistance against plastic flow','Pa') 'resistance against plastic flow','Pa')
end select end select
end do outputsLoop end do outputsLoop
end associate end associate
end subroutine plastic_isotropic_results end subroutine plastic_isotropic_result
end submodule isotropic end submodule isotropic

28
src/phase_mechanical_plastic_kinehardening.f90
View File

@ -362,7 +362,7 @@ end subroutine plastic_kinehardening_deltaState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file. !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_results(ph,group) module subroutine plastic_kinehardening_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -377,30 +377,30 @@ module subroutine plastic_kinehardening_results(ph,group)
select case(trim(prm%output(ou))) select case(trim(prm%output(ou)))
case ('xi') case ('xi')
call results_writeDataset(stt%xi,group,trim(prm%output(ou)), & call result_writeDataset(stt%xi,group,trim(prm%output(ou)), &
'resistance against plastic slip','Pa',prm%systems_sl) 'resistance against plastic slip','Pa',prm%systems_sl)
case ('chi') case ('chi')
call results_writeDataset(stt%chi,group,trim(prm%output(ou)), & call result_writeDataset(stt%chi,group,trim(prm%output(ou)), &
'back stress','Pa',prm%systems_sl) 'back stress','Pa',prm%systems_sl)
case ('sgn(gamma)') case ('sgn(gamma)')
call results_writeDataset(int(stt%sgn_gamma),group,trim(prm%output(ou)), & call result_writeDataset(int(stt%sgn_gamma),group,trim(prm%output(ou)), &
'sense of shear','1',prm%systems_sl) 'sense of shear','1',prm%systems_sl)
case ('chi_0') case ('chi_0')
call results_writeDataset(stt%chi_0,group,trim(prm%output(ou)), & call result_writeDataset(stt%chi_0,group,trim(prm%output(ou)), &
'back stress at last switch of stress sense','Pa',prm%systems_sl) 'back stress at last switch of stress sense','Pa',prm%systems_sl)
case ('gamma_0') case ('gamma_0')
call results_writeDataset(stt%gamma_0,group,trim(prm%output(ou)), & call result_writeDataset(stt%gamma_0,group,trim(prm%output(ou)), &
'plastic shear at last switch of stress sense','1',prm%systems_sl) 'plastic shear at last switch of stress sense','1',prm%systems_sl)
case ('gamma') case ('gamma')
call results_writeDataset(stt%gamma,group,trim(prm%output(ou)), & call result_writeDataset(stt%gamma,group,trim(prm%output(ou)), &
'plastic shear','1',prm%systems_sl) 'plastic shear','1',prm%systems_sl)
end select end select
end do end do
end associate end associate
end subroutine plastic_kinehardening_results end subroutine plastic_kinehardening_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

72
src/phase_mechanical_plastic_nonlocal.f90
View File

@ -1477,7 +1477,7 @@ end subroutine plastic_nonlocal_updateCompatibility
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file. !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_results(ph,group) module subroutine plastic_nonlocal_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*),intent(in) :: group character(len=*),intent(in) :: group
@ -1491,63 +1491,63 @@ module subroutine plastic_nonlocal_results(ph,group)
select case(trim(prm%output(ou))) select case(trim(prm%output(ou)))
case('rho_u_ed_pos') case('rho_u_ed_pos')
call results_writeDataset(stt%rho_sgl_mob_edg_pos,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_sgl_mob_edg_pos,group,trim(prm%output(ou)), &
'positive mobile edge density','1/m²', prm%systems_sl) 'positive mobile edge density','1/m²', prm%systems_sl)
case('rho_b_ed_pos') case('rho_b_ed_pos')
call results_writeDataset(stt%rho_sgl_imm_edg_pos,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_sgl_imm_edg_pos,group,trim(prm%output(ou)), &
'positive immobile edge density','1/m²', prm%systems_sl) 'positive immobile edge density','1/m²', prm%systems_sl)
case('rho_u_ed_neg') case('rho_u_ed_neg')
call results_writeDataset(stt%rho_sgl_mob_edg_neg,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_sgl_mob_edg_neg,group,trim(prm%output(ou)), &
'negative mobile edge density','1/m²', prm%systems_sl) 'negative mobile edge density','1/m²', prm%systems_sl)
case('rho_b_ed_neg') case('rho_b_ed_neg')
call results_writeDataset(stt%rho_sgl_imm_edg_neg,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_sgl_imm_edg_neg,group,trim(prm%output(ou)), &
'negative immobile edge density','1/m²', prm%systems_sl) 'negative immobile edge density','1/m²', prm%systems_sl)
case('rho_d_ed') case('rho_d_ed')
call results_writeDataset(stt%rho_dip_edg,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_dip_edg,group,trim(prm%output(ou)), &
'edge dipole density','1/m²', prm%systems_sl) 'edge dipole density','1/m²', prm%systems_sl)
case('rho_u_sc_pos') case('rho_u_sc_pos')
call results_writeDataset(stt%rho_sgl_mob_scr_pos,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_sgl_mob_scr_pos,group,trim(prm%output(ou)), &
'positive mobile screw density','1/m²', prm%systems_sl) 'positive mobile screw density','1/m²', prm%systems_sl)
case('rho_b_sc_pos') case('rho_b_sc_pos')
call results_writeDataset(stt%rho_sgl_imm_scr_pos,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_sgl_imm_scr_pos,group,trim(prm%output(ou)), &
'positive immobile screw density','1/m²', prm%systems_sl) 'positive immobile screw density','1/m²', prm%systems_sl)
case('rho_u_sc_neg') case('rho_u_sc_neg')
call results_writeDataset(stt%rho_sgl_mob_scr_neg,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_sgl_mob_scr_neg,group,trim(prm%output(ou)), &
'negative mobile screw density','1/m²', prm%systems_sl) 'negative mobile screw density','1/m²', prm%systems_sl)
case('rho_b_sc_neg') case('rho_b_sc_neg')
call results_writeDataset(stt%rho_sgl_imm_scr_neg,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_sgl_imm_scr_neg,group,trim(prm%output(ou)), &
'negative immobile screw density','1/m²', prm%systems_sl) 'negative immobile screw density','1/m²', prm%systems_sl)
case('rho_d_sc') case('rho_d_sc')
call results_writeDataset(stt%rho_dip_scr,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_dip_scr,group,trim(prm%output(ou)), &
'screw dipole density','1/m²', prm%systems_sl) 'screw dipole density','1/m²', prm%systems_sl)
case('rho_f') case('rho_f')
call results_writeDataset(stt%rho_forest,group,trim(prm%output(ou)), & call result_writeDataset(stt%rho_forest,group,trim(prm%output(ou)), &
'forest density','1/m²', prm%systems_sl) 'forest density','1/m²', prm%systems_sl)
case('v_ed_pos') case('v_ed_pos')
call results_writeDataset(stt%v_edg_pos,group,trim(prm%output(ou)), & call result_writeDataset(stt%v_edg_pos,group,trim(prm%output(ou)), &
'positive edge velocity','m/s', prm%systems_sl) 'positive edge velocity','m/s', prm%systems_sl)
case('v_ed_neg') case('v_ed_neg')
call results_writeDataset(stt%v_edg_neg,group,trim(prm%output(ou)), & call result_writeDataset(stt%v_edg_neg,group,trim(prm%output(ou)), &
'negative edge velocity','m/s', prm%systems_sl) 'negative edge velocity','m/s', prm%systems_sl)
case('v_sc_pos') case('v_sc_pos')
call results_writeDataset(stt%v_scr_pos,group,trim(prm%output(ou)), & call result_writeDataset(stt%v_scr_pos,group,trim(prm%output(ou)), &
'positive srew velocity','m/s', prm%systems_sl) 'positive srew velocity','m/s', prm%systems_sl)
case('v_sc_neg') case('v_sc_neg')
call results_writeDataset(stt%v_scr_neg,group,trim(prm%output(ou)), & call result_writeDataset(stt%v_scr_neg,group,trim(prm%output(ou)), &
'negative screw velocity','m/s', prm%systems_sl) 'negative screw velocity','m/s', prm%systems_sl)
case('gamma') case('gamma')
call results_writeDataset(stt%gamma,group,trim(prm%output(ou)), & call result_writeDataset(stt%gamma,group,trim(prm%output(ou)), &
'plastic shear','1', prm%systems_sl) 'plastic shear','1', prm%systems_sl)
case('tau_pass') case('tau_pass')
call results_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), & call result_writeDataset(dst%tau_pass,group,trim(prm%output(ou)), &
'passing stress for slip','Pa', prm%systems_sl) 'passing stress for slip','Pa', prm%systems_sl)
end select end select
end do end do
end associate end associate
end subroutine plastic_nonlocal_results end subroutine plastic_nonlocal_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

20
src/phase_mechanical_plastic_phenopowerlaw.f90
View File

@ -380,7 +380,7 @@ end function phenopowerlaw_dotState
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file. !> @brief Write results to HDF5 output file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module subroutine plastic_phenopowerlaw_results(ph,group) module subroutine plastic_phenopowerlaw_result(ph,group)
integer, intent(in) :: ph integer, intent(in) :: ph
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
@ -395,18 +395,18 @@ module subroutine plastic_phenopowerlaw_results(ph,group)
select case(trim(prm%output(ou))) select case(trim(prm%output(ou)))
case('xi_sl') case('xi_sl')
call results_writeDataset(stt%xi_sl,group,trim(prm%output(ou)), & call result_writeDataset(stt%xi_sl,group,trim(prm%output(ou)), &
'resistance against plastic slip','Pa',prm%systems_sl) 'resistance against plastic slip','Pa',prm%systems_sl)
case('gamma_sl') case('gamma_sl')
call results_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), & call result_writeDataset(stt%gamma_sl,group,trim(prm%output(ou)), &
'plastic shear','1',prm%systems_sl) 'plastic shear','1',prm%systems_sl)
case('xi_tw') case('xi_tw')
call results_writeDataset(stt%xi_tw,group,trim(prm%output(ou)), & call result_writeDataset(stt%xi_tw,group,trim(prm%output(ou)), &
'resistance against twinning','Pa',prm%systems_tw) 'resistance against twinning','Pa',prm%systems_tw)
case('gamma_tw') case('gamma_tw')
call results_writeDataset(stt%gamma_tw,group,trim(prm%output(ou)), & call result_writeDataset(stt%gamma_tw,group,trim(prm%output(ou)), &
'twinning shear','1',prm%systems_tw) 'twinning shear','1',prm%systems_tw)
end select end select
@ -414,7 +414,7 @@ module subroutine plastic_phenopowerlaw_results(ph,group)
end associate end associate
end subroutine plastic_phenopowerlaw_results end subroutine plastic_phenopowerlaw_result
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

10
src/phase_thermal.f90
View File

@ -394,9 +394,9 @@ end function thermal_active
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
!< @brief writes thermal sources results to HDF5 output file !< @brief Write thermal sources results to HDF5 output file.
!---------------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------------
module subroutine thermal_results(group,ph) module subroutine thermal_result(group,ph)
character(len=*), intent(in) :: group character(len=*), intent(in) :: group
integer, intent(in) :: ph integer, intent(in) :: ph
@ -406,20 +406,20 @@ module subroutine thermal_results(group,ph)
if (.not. allocated(param(ph)%output)) return if (.not. allocated(param(ph)%output)) return
call results_closeGroup(results_addGroup(group//'thermal')) call result_closeGroup(result_addGroup(group//'thermal'))
do ou = 1, size(param(ph)%output) do ou = 1, size(param(ph)%output)
select case(trim(param(ph)%output(ou))) select case(trim(param(ph)%output(ou)))
case ('T') case ('T')
call results_writeDataset(current(ph)%T,group//'thermal','T', 'temperature','K') call result_writeDataset(current(ph)%T,group//'thermal','T', 'temperature','K')
end select end select
end do end do
end subroutine thermal_results end subroutine thermal_result
end submodule thermal end submodule thermal

33
src/quit.f90
View File

@ -5,6 +5,7 @@
!> everything is fine. Exit code 1 signals an error, message according to IO_error. !> everything is fine. Exit code 1 signals an error, message according to IO_error.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine quit(stop_id) subroutine quit(stop_id)
use, intrinsic :: ISO_fortran_env, only: ERROR_UNIT
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
use PETScSys use PETScSys
#if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY) #if (PETSC_VERSION_MAJOR==3 && PETSC_VERSION_MINOR>14) && !defined(PETSC_HAVE_MPI_F90MODULE_VISIBILITY)
@ -22,23 +23,16 @@ subroutine quit(stop_id)
integer, dimension(8) :: dateAndTime integer, dimension(8) :: dateAndTime
integer :: err_HDF5 integer :: err_HDF5
integer(MPI_INTEGER_KIND) :: err_MPI integer(MPI_INTEGER_KIND) :: err_MPI, worldsize
PetscErrorCode :: err_PETSc PetscErrorCode :: err_PETSc
call h5open_f(err_HDF5)
if (err_HDF5 /= 0_MPI_INTEGER_KIND) write(6,'(a,i5)') ' Error in h5open_f ',err_HDF5 ! prevents error if not opened yet call h5open_f(err_HDF5) ! prevents error if not opened yet
if (err_HDF5 /= 0) write(ERROR_UNIT,'(a,i5)') ' Error in h5open_f ',err_HDF5
call h5close_f(err_HDF5) call h5close_f(err_HDF5)
if (err_HDF5 /= 0_MPI_INTEGER_KIND) write(6,'(a,i5)') ' Error in h5close_f ',err_HDF5 if (err_HDF5 /= 0) write(ERROR_UNIT,'(a,i5)') ' Error in h5close_f ',err_HDF5
call PetscFinalize(err_PETSc) call PetscFinalize(err_PETSc)
CHKERRQ(err_PETSc)
#ifdef _OPENMP
call MPI_finalize(err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) write(6,'(a,i5)') ' Error in MPI_finalize',err_MPI
#else
err_MPI = 0_MPI_INTEGER_KIND
#endif
call date_and_time(values = dateAndTime) call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' DAMASK terminated on:' write(6,'(/,a)') ' DAMASK terminated on:'
@ -49,10 +43,15 @@ subroutine quit(stop_id)
dateAndTime(6),':',& dateAndTime(6),':',&
dateAndTime(7) dateAndTime(7)
if (stop_id == 0 .and. & if (stop_id == 0 .and. err_HDF5 == 0 .and. err_PETSC == 0) then
err_HDF5 == 0 .and. & call MPI_Finalize(err_MPI)
err_MPI == 0_MPI_INTEGER_KIND .and. & if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI_Finalize error'
err_PETSC == 0) stop 0 ! normal termination stop 0 ! normal termination
stop 1 ! error (message from IO_error) else
call MPI_Comm_size(MPI_COMM_WORLD,worldsize,err_MPI)
if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI_Comm error'
if (stop_id /= 0 .and. worldsize > 1) call MPI_Abort(MPI_COMM_WORLD,1,err_MPI)
stop 1 ! error (message from IO_error)
endif
end subroutine quit end subroutine quit

304
src/results.f90 → src/result.f90
View File

@ -4,7 +4,7 @@
!> @author Jennifer Nastola, Max-Planck-Institut für Eisenforschung GmbH !> @author Jennifer Nastola, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module results module result
use prec use prec
use parallelization use parallelization
use IO use IO
@ -28,46 +28,46 @@ module results
#endif #endif
private private
integer(HID_T) :: resultsFile integer(HID_T) :: resultFile
interface results_writeDataset interface result_writeDataset
module procedure results_writeTensorDataset_real module procedure result_writeTensorDataset_real
module procedure results_writeVectorDataset_real module procedure result_writeVectorDataset_real
module procedure results_writeScalarDataset_real module procedure result_writeScalarDataset_real
module procedure results_writeTensorDataset_int module procedure result_writeTensorDataset_int
module procedure results_writeVectorDataset_int module procedure result_writeVectorDataset_int
end interface results_writeDataset end interface result_writeDataset
interface results_addAttribute interface result_addAttribute
module procedure results_addAttribute_str module procedure result_addAttribute_str
module procedure results_addAttribute_int module procedure result_addAttribute_int
module procedure results_addAttribute_real module procedure result_addAttribute_real
module procedure results_addAttribute_str_array module procedure result_addAttribute_str_array
module procedure results_addAttribute_int_array module procedure result_addAttribute_int_array
module procedure results_addAttribute_real_array module procedure result_addAttribute_real_array
end interface results_addAttribute end interface result_addAttribute
public :: & public :: &
results_init, & result_init, &
results_openJobFile, & result_openJobFile, &
results_closeJobFile, & result_closeJobFile, &
results_addIncrement, & result_addIncrement, &
results_finalizeIncrement, & result_finalizeIncrement, &
results_addGroup, & result_addGroup, &
results_openGroup, & result_openGroup, &
results_closeGroup, & result_closeGroup, &
results_writeDataset, & result_writeDataset, &
results_writeDataset_str, & result_writeDataset_str, &
results_setLink, & result_setLink, &
results_addAttribute, & result_addAttribute, &
results_removeLink, & result_removeLink, &
results_mapping_phase, & result_mapping_phase, &
results_mapping_homogenization result_mapping_homogenization
contains contains
subroutine results_init(restart) subroutine result_init(restart)
logical, intent(in) :: restart logical, intent(in) :: restart
@ -76,68 +76,68 @@ subroutine results_init(restart)
character(len=:), allocatable :: date character(len=:), allocatable :: date
print'(/,1x,a)', '<<<+- results init -+>>>'; flush(IO_STDOUT) print'(/,1x,a)', '<<<+- result init -+>>>'; flush(IO_STDOUT)
print'(/,1x,a)', 'M. Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017' print'(/,1x,a)', 'M. Diehl et al., Integrating Materials and Manufacturing Innovation 6(1):83–91, 2017'
print'( 1x,a)', 'https://doi.org/10.1007/s40192-017-0084-5' print'( 1x,a)', 'https://doi.org/10.1007/s40192-017-0084-5'
if (.not. restart) then if (.not. restart) then
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','w') resultFile = HDF5_openFile(getSolverJobName()//'.hdf5','w')
call results_addAttribute('DADF5_version_major',0) call result_addAttribute('DADF5_version_major',0)
call results_addAttribute('DADF5_version_minor',14) call result_addAttribute('DADF5_version_minor',14)
call get_command_argument(0,commandLine) call get_command_argument(0,commandLine)
call results_addAttribute('creator',trim(commandLine)//' '//DAMASKVERSION) call result_addAttribute('creator',trim(commandLine)//' '//DAMASKVERSION)
call results_addAttribute('created',now()) call result_addAttribute('created',now())
call get_command(commandLine) call get_command(commandLine)
call results_addAttribute('call',trim(commandLine)) call result_addAttribute('call',trim(commandLine))
call results_closeGroup(results_addGroup('cell_to')) call result_closeGroup(result_addGroup('cell_to'))
call results_addAttribute('description','mappings to place data in space','cell_to') call result_addAttribute('description','mappings to place data in space','cell_to')
call results_closeGroup(results_addGroup('setup')) call result_closeGroup(result_addGroup('setup'))
call results_addAttribute('description','input data used to run the simulation','setup') call result_addAttribute('description','input data used to run the simulation','setup')
else else
date = now() date = now()
call results_openJobFile call result_openJobFile
call get_command(commandLine) call get_command(commandLine)
call results_addAttribute('call (restart at '//date//')',trim(commandLine)) call result_addAttribute('call (restart at '//date//')',trim(commandLine))
call H5Gmove_f(resultsFile,'setup','tmp',hdferr) call H5Gmove_f(resultFile,'setup','tmp',hdferr)
call results_addAttribute('description','input data used to run the simulation up to restart at '//date,'tmp') call result_addAttribute('description','input data used to run the simulation up to restart at '//date,'tmp')
call results_closeGroup(results_addGroup('setup')) call result_closeGroup(result_addGroup('setup'))
call results_addAttribute('description','input data used to run the simulation','setup') call result_addAttribute('description','input data used to run the simulation','setup')
call H5Gmove_f(resultsFile,'tmp','setup/previous',hdferr) call H5Gmove_f(resultFile,'tmp','setup/previous',hdferr)
end if end if
call results_closeJobFile call result_closeJobFile
end subroutine results_init end subroutine result_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief opens the results file to append data !> @brief opens the result file to append data
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_openJobFile(parallel) subroutine result_openJobFile(parallel)
logical, intent(in), optional :: parallel logical, intent(in), optional :: parallel
resultsFile = HDF5_openFile(getSolverJobName()//'.hdf5','a',parallel) resultFile = HDF5_openFile(getSolverJobName()//'.hdf5','a',parallel)
end subroutine results_openJobFile end subroutine result_openJobFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief closes the results file !> @brief closes the result file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_closeJobFile subroutine result_closeJobFile
call HDF5_closeFile(resultsFile) call HDF5_closeFile(resultFile)
end subroutine results_closeJobFile end subroutine result_closeJobFile
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief creates the group of increment and adds time as attribute to the file !> @brief creates the group of increment and adds time as attribute to the file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addIncrement(inc,time) subroutine result_addIncrement(inc,time)
integer, intent(in) :: inc integer, intent(in) :: inc
real(pReal), intent(in) :: time real(pReal), intent(in) :: time
@ -146,97 +146,97 @@ subroutine results_addIncrement(inc,time)
write(incChar,'(i10)') inc write(incChar,'(i10)') inc
call results_closeGroup(results_addGroup(trim('increment_'//trim(adjustl(incChar))))) call result_closeGroup(result_addGroup(trim('increment_'//trim(adjustl(incChar)))))
call results_setLink(trim('increment_'//trim(adjustl(incChar))),'current') call result_setLink(trim('increment_'//trim(adjustl(incChar))),'current')
call results_addAttribute('t/s',time,trim('increment_'//trim(adjustl(incChar)))) call result_addAttribute('t/s',time,trim('increment_'//trim(adjustl(incChar))))
end subroutine results_addIncrement end subroutine result_addIncrement
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief finalize increment !> @brief finalize increment
!> @details remove soft link !> @details remove soft link
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_finalizeIncrement subroutine result_finalizeIncrement
call results_removeLink('current') call result_removeLink('current')
end subroutine results_finalizeIncrement end subroutine result_finalizeIncrement
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief open a group from the results file !> @brief open a group from the result file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
integer(HID_T) function results_openGroup(groupName) integer(HID_T) function result_openGroup(groupName)
character(len=*), intent(in) :: groupName character(len=*), intent(in) :: groupName
results_openGroup = HDF5_openGroup(resultsFile,groupName) result_openGroup = HDF5_openGroup(resultFile,groupName)
end function results_openGroup end function result_openGroup
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds a new group to the results file !> @brief adds a new group to the result file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
integer(HID_T) function results_addGroup(groupName) integer(HID_T) function result_addGroup(groupName)
character(len=*), intent(in) :: groupName character(len=*), intent(in) :: groupName
results_addGroup = HDF5_addGroup(resultsFile,groupName) result_addGroup = HDF5_addGroup(resultFile,groupName)
end function results_addGroup end function result_addGroup
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief close a group !> @brief close a group
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_closeGroup(group_id) subroutine result_closeGroup(group_id)
integer(HID_T), intent(in) :: group_id integer(HID_T), intent(in) :: group_id
call HDF5_closeGroup(group_id) call HDF5_closeGroup(group_id)
end subroutine results_closeGroup end subroutine result_closeGroup
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief set link to object in results file !> @brief set link to object in result file
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_setLink(path,link) subroutine result_setLink(path,link)
character(len=*), intent(in) :: path, link character(len=*), intent(in) :: path, link
call HDF5_setLink(resultsFile,path,link) call HDF5_setLink(resultFile,path,link)
end subroutine results_setLink end subroutine result_setLink
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Add a string attribute to an object in the results file. !> @brief Add a string attribute to an object in the result file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_str(attrLabel,attrValue,path) subroutine result_addAttribute_str(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel, attrValue character(len=*), intent(in) :: attrLabel, attrValue
character(len=*), intent(in), optional :: path character(len=*), intent(in), optional :: path
if (present(path)) then if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) call HDF5_addAttribute(resultFile,attrLabel, attrValue, path)
else else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue) call HDF5_addAttribute(resultFile,attrLabel, attrValue)
end if end if
end subroutine results_addAttribute_str end subroutine result_addAttribute_str
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Add an integer attribute an object in the results file. !> @brief Add an integer attribute an object in the result file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int(attrLabel,attrValue,path) subroutine result_addAttribute_int(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel character(len=*), intent(in) :: attrLabel
integer, intent(in) :: attrValue integer, intent(in) :: attrValue
@ -244,18 +244,18 @@ subroutine results_addAttribute_int(attrLabel,attrValue,path)
if (present(path)) then if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) call HDF5_addAttribute(resultFile,attrLabel, attrValue, path)
else else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue) call HDF5_addAttribute(resultFile,attrLabel, attrValue)
end if end if
end subroutine results_addAttribute_int end subroutine result_addAttribute_int
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Add a real attribute an object in the results file. !> @brief Add a real attribute an object in the result file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real(attrLabel,attrValue,path) subroutine result_addAttribute_real(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel character(len=*), intent(in) :: attrLabel
real(pReal), intent(in) :: attrValue real(pReal), intent(in) :: attrValue
@ -263,18 +263,18 @@ subroutine results_addAttribute_real(attrLabel,attrValue,path)
if (present(path)) then if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) call HDF5_addAttribute(resultFile,attrLabel, attrValue, path)
else else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue) call HDF5_addAttribute(resultFile,attrLabel, attrValue)
end if end if
end subroutine results_addAttribute_real end subroutine result_addAttribute_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Add a string array attribute an object in the results file. !> @brief Add a string array attribute an object in the result file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_str_array(attrLabel,attrValue,path) subroutine result_addAttribute_str_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel character(len=*), intent(in) :: attrLabel
character(len=*), intent(in), dimension(:) :: attrValue character(len=*), intent(in), dimension(:) :: attrValue
@ -282,18 +282,18 @@ subroutine results_addAttribute_str_array(attrLabel,attrValue,path)
if (present(path)) then if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) call HDF5_addAttribute(resultFile,attrLabel, attrValue, path)
else else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue) call HDF5_addAttribute(resultFile,attrLabel, attrValue)
end if end if
end subroutine results_addAttribute_str_array end subroutine result_addAttribute_str_array
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Add an integer array attribute an object in the results file. !> @brief Add an integer array attribute an object in the result file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_int_array(attrLabel,attrValue,path) subroutine result_addAttribute_int_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel character(len=*), intent(in) :: attrLabel
integer, intent(in), dimension(:) :: attrValue integer, intent(in), dimension(:) :: attrValue
@ -301,18 +301,18 @@ subroutine results_addAttribute_int_array(attrLabel,attrValue,path)
if (present(path)) then if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) call HDF5_addAttribute(resultFile,attrLabel, attrValue, path)
else else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue) call HDF5_addAttribute(resultFile,attrLabel, attrValue)
end if end if
end subroutine results_addAttribute_int_array end subroutine result_addAttribute_int_array
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Add a real array attribute an object in the results file. !> @brief Add a real array attribute an object in the result file.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_addAttribute_real_array(attrLabel,attrValue,path) subroutine result_addAttribute_real_array(attrLabel,attrValue,path)
character(len=*), intent(in) :: attrLabel character(len=*), intent(in) :: attrLabel
real(pReal), intent(in), dimension(:) :: attrValue real(pReal), intent(in), dimension(:) :: attrValue
@ -320,51 +320,51 @@ subroutine results_addAttribute_real_array(attrLabel,attrValue,path)
if (present(path)) then if (present(path)) then
call HDF5_addAttribute(resultsFile,attrLabel, attrValue, path) call HDF5_addAttribute(resultFile,attrLabel, attrValue, path)
else else
call HDF5_addAttribute(resultsFile,attrLabel, attrValue) call HDF5_addAttribute(resultFile,attrLabel, attrValue)
end if end if
end subroutine results_addAttribute_real_array end subroutine result_addAttribute_real_array
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief remove link to an object !> @brief remove link to an object
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_removeLink(link) subroutine result_removeLink(link)
character(len=*), intent(in) :: link character(len=*), intent(in) :: link
integer :: hdferr integer :: hdferr
call H5Ldelete_f(resultsFile,link, hdferr) call H5Ldelete_f(resultFile,link, hdferr)
if (hdferr < 0) call IO_error(1,ext_msg = 'results_removeLink: H5Ldelete_soft_f ('//trim(link)//')') if (hdferr < 0) call IO_error(1,ext_msg = 'result_removeLink: H5Ldelete_soft_f ('//trim(link)//')')
end subroutine results_removeLink end subroutine result_removeLink
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store string dataset. !> @brief Store string dataset.
!> @details Not collective, must be called by one process at at time. !> @details Not collective, must be called by one process at at time.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeDataset_str(dataset,group,label,description) subroutine result_writeDataset_str(dataset,group,label,description)
character(len=*), intent(in) :: label,group,description,dataset character(len=*), intent(in) :: label,group,description,dataset
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = result_openGroup(group)
call HDF5_write_str(dataset,groupHandle,label) call HDF5_write_str(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description) call executionStamp(group//'/'//label,description)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeDataset_str end subroutine result_writeDataset_str
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store real scalar dataset with associated metadata. !> @brief Store real scalar dataset with associated metadata.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeScalarDataset_real(dataset,group,label,description,SIunit) subroutine result_writeScalarDataset_real(dataset,group,label,description,SIunit)
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
@ -373,18 +373,18 @@ subroutine results_writeScalarDataset_real(dataset,group,label,description,SIuni
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = result_openGroup(group)
call HDF5_write(dataset,groupHandle,label) call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit) call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeScalarDataset_real end subroutine result_writeScalarDataset_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store real vector dataset with associated metadata. !> @brief Store real vector dataset with associated metadata.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_real(dataset,group,label,description,SIunit,systems) subroutine result_writeVectorDataset_real(dataset,group,label,description,SIunit,systems)
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
@ -394,21 +394,21 @@ subroutine results_writeVectorDataset_real(dataset,group,label,description,SIuni
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = result_openGroup(group)
call HDF5_write(dataset,groupHandle,label) call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit) call executionStamp(group//'/'//label,description,SIunit)
if (present(systems) .and. HDF5_objectExists(groupHandle,label)) & if (present(systems) .and. HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label) call HDF5_addAttribute(resultFile,'systems',systems,group//'/'//label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_real end subroutine result_writeVectorDataset_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store real tensor dataset with associated metadata. !> @brief Store real tensor dataset with associated metadata.
!> @details Data is transposed to compenstate transposed storage order. !> @details Data is transposed to compenstate transposed storage order.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_real(dataset,group,label,description,SIunit,transposed) subroutine result_writeTensorDataset_real(dataset,group,label,description,SIunit,transposed)
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
@ -427,7 +427,7 @@ subroutine results_writeTensorDataset_real(dataset,group,label,description,SIuni
transposed_ = .true. transposed_ = .true.
end if end if
groupHandle = results_openGroup(group) groupHandle = result_openGroup(group)
if (transposed_) then if (transposed_) then
if (size(dataset,1) /= size(dataset,2)) error stop 'transpose non-symmetric tensor' if (size(dataset,1) /= size(dataset,2)) error stop 'transpose non-symmetric tensor'
allocate(dataset_transposed,mold=dataset) allocate(dataset_transposed,mold=dataset)
@ -441,13 +441,13 @@ subroutine results_writeTensorDataset_real(dataset,group,label,description,SIuni
call executionStamp(group//'/'//label,description,SIunit) call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_real end subroutine result_writeTensorDataset_real
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store integer vector dataset with associated metadata. !> @brief Store integer vector dataset with associated metadata.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeVectorDataset_int(dataset,group,label,description,SIunit,systems) subroutine result_writeVectorDataset_int(dataset,group,label,description,SIunit,systems)
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
@ -457,20 +457,20 @@ subroutine results_writeVectorDataset_int(dataset,group,label,description,SIunit
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = result_openGroup(group)
call HDF5_write(dataset,groupHandle,label) call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit) call executionStamp(group//'/'//label,description,SIunit)
if (present(systems) .and. HDF5_objectExists(groupHandle,label)) & if (present(systems) .and. HDF5_objectExists(groupHandle,label)) &
call HDF5_addAttribute(resultsFile,'systems',systems,group//'/'//label) call HDF5_addAttribute(resultFile,'systems',systems,group//'/'//label)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeVectorDataset_int end subroutine result_writeVectorDataset_int
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Store integer tensor dataset with associated metadata. !> @brief Store integer tensor dataset with associated metadata.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_writeTensorDataset_int(dataset,group,label,description,SIunit) subroutine result_writeTensorDataset_int(dataset,group,label,description,SIunit)
character(len=*), intent(in) :: label,group,description character(len=*), intent(in) :: label,group,description
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
@ -479,19 +479,19 @@ subroutine results_writeTensorDataset_int(dataset,group,label,description,SIunit
integer(HID_T) :: groupHandle integer(HID_T) :: groupHandle
groupHandle = results_openGroup(group) groupHandle = result_openGroup(group)
call HDF5_write(dataset,groupHandle,label) call HDF5_write(dataset,groupHandle,label)
call executionStamp(group//'/'//label,description,SIunit) call executionStamp(group//'/'//label,description,SIunit)
call HDF5_closeGroup(groupHandle) call HDF5_closeGroup(groupHandle)
end subroutine results_writeTensorDataset_int end subroutine result_writeTensorDataset_int
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results !> @brief adds the unique mapping from spatial position and constituent ID to results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_phase(ID,entry,label) subroutine result_mapping_phase(ID,entry,label)
integer, dimension(:,:), intent(in) :: ID !< phase ID at (co,ce) integer, dimension(:,:), intent(in) :: ID !< phase ID at (co,ce)
integer, dimension(:,:), intent(in) :: entry !< phase entry at (co,ce) integer, dimension(:,:), intent(in) :: entry !< phase entry at (co,ce)
@ -611,7 +611,7 @@ subroutine results_mapping_phase(ID,entry,label)
call H5Pset_preserve_f(plist_id, .true., hdferr) call H5Pset_preserve_f(plist_id, .true., hdferr)
if (hdferr < 0) error stop 'HDF5 error' if (hdferr < 0) error stop 'HDF5 error'
loc_id = results_openGroup('/cell_to') loc_id = result_openGroup('/cell_to')
call H5Dcreate_f(loc_id, 'phase', dtype_id, filespace_id, dset_id, hdferr) call H5Dcreate_f(loc_id, 'phase', dtype_id, filespace_id, dset_id, hdferr)
if (hdferr < 0) error stop 'HDF5 error' if (hdferr < 0) error stop 'HDF5 error'
@ -641,13 +641,13 @@ subroutine results_mapping_phase(ID,entry,label)
call executionStamp('cell_to/phase','cell ID and constituent ID to phase results') call executionStamp('cell_to/phase','cell ID and constituent ID to phase results')
end subroutine results_mapping_phase end subroutine result_mapping_phase
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief adds the unique mapping from spatial position and constituent ID to results !> @brief adds the unique mapping from spatial position and constituent ID to results
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine results_mapping_homogenization(ID,entry,label) subroutine result_mapping_homogenization(ID,entry,label)
integer, dimension(:), intent(in) :: ID !< homogenization ID at (ce) integer, dimension(:), intent(in) :: ID !< homogenization ID at (ce)
integer, dimension(:), intent(in) :: entry !< homogenization entry at (ce) integer, dimension(:), intent(in) :: entry !< homogenization entry at (ce)
@ -763,7 +763,7 @@ subroutine results_mapping_homogenization(ID,entry,label)
call H5Pset_preserve_f(plist_id, .true., hdferr) call H5Pset_preserve_f(plist_id, .true., hdferr)
if (hdferr < 0) error stop 'HDF5 error' if (hdferr < 0) error stop 'HDF5 error'
loc_id = results_openGroup('/cell_to') loc_id = result_openGroup('/cell_to')
call H5Dcreate_f(loc_id, 'homogenization', dtype_id, filespace_id, dset_id, hdferr) call H5Dcreate_f(loc_id, 'homogenization', dtype_id, filespace_id, dset_id, hdferr)
if (hdferr < 0) error stop 'HDF5 error' if (hdferr < 0) error stop 'HDF5 error'
@ -794,7 +794,7 @@ subroutine results_mapping_homogenization(ID,entry,label)
call executionStamp('cell_to/homogenization','cell ID to homogenization results') call executionStamp('cell_to/homogenization','cell ID to homogenization results')
end subroutine results_mapping_homogenization end subroutine result_mapping_homogenization
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -806,14 +806,14 @@ subroutine executionStamp(path,description,SIunit)
character(len=*), intent(in), optional :: SIunit character(len=*), intent(in), optional :: SIunit
if (HDF5_objectExists(resultsFile,path)) & if (HDF5_objectExists(resultFile,path)) &
call HDF5_addAttribute(resultsFile,'creator','DAMASK '//DAMASKVERSION,path) call HDF5_addAttribute(resultFile,'creator','DAMASK '//DAMASKVERSION,path)
if (HDF5_objectExists(resultsFile,path)) & if (HDF5_objectExists(resultFile,path)) &
call HDF5_addAttribute(resultsFile,'created',now(),path) call HDF5_addAttribute(resultFile,'created',now(),path)
if (HDF5_objectExists(resultsFile,path)) & if (HDF5_objectExists(resultFile,path)) &
call HDF5_addAttribute(resultsFile,'description',description,path) call HDF5_addAttribute(resultFile,'description',description,path)
if (HDF5_objectExists(resultsFile,path) .and. present(SIunit)) & if (HDF5_objectExists(resultFile,path) .and. present(SIunit)) &
call HDF5_addAttribute(resultsFile,'unit',SIunit,path) call HDF5_addAttribute(resultFile,'unit',SIunit,path)
end subroutine executionStamp end subroutine executionStamp
@ -834,4 +834,4 @@ character(len=24) function now()
end function now end function now
end module results end module result

76
src/signals.f90 → src/signal.f90
View File

@ -2,7 +2,7 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Handling of UNIX signals. !> @brief Handling of UNIX signals.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module signals module signal
use prec use prec
use system_routines use system_routines
@ -10,15 +10,15 @@ module signals
private private
logical, volatile, public, protected :: & logical, volatile, public, protected :: &
signals_SIGINT = .false., & !< interrupt signal signal_SIGINT = .false., & !< interrupt signal
signals_SIGUSR1 = .false., & !< 1. user-defined signal signal_SIGUSR1 = .false., & !< 1. user-defined signal
signals_SIGUSR2 = .false. !< 2. user-defined signal signal_SIGUSR2 = .false. !< 2. user-defined signal
public :: & public :: &
signals_init, & signal_init, &
signals_setSIGINT, & signal_setSIGINT, &
signals_setSIGUSR1, & signal_setSIGUSR1, &
signals_setSIGUSR2 signal_setSIGUSR2
contains contains
@ -26,100 +26,100 @@ contains
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Register signal handlers. !> @brief Register signal handlers.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine signals_init() subroutine signal_init()
call signalint_c(c_funloc(catchSIGINT)) call signalint_c(c_funloc(catchSIGINT))
call signalusr1_c(c_funloc(catchSIGUSR1)) call signalusr1_c(c_funloc(catchSIGUSR1))
call signalusr2_c(c_funloc(catchSIGUSR2)) call signalusr2_c(c_funloc(catchSIGUSR2))
end subroutine signals_init end subroutine signal_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGINT to .true. !> @brief Set global variable signal_SIGINT to .true.
!> @details This function can be registered to catch signals send to the executable. !> @details This function can be registered to catch signals send to the executable.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine catchSIGINT(signal) bind(C) subroutine catchSIGINT(sig) bind(C)
integer(C_INT), value :: signal integer(C_INT), value :: sig
print'(a,i0)', ' received signal ',signal print'(a,i0)', ' received signal ',sig
call signals_setSIGINT(.true.) call signal_setSIGINT(.true.)
end subroutine catchSIGINT end subroutine catchSIGINT
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGUSR1 to .true. !> @brief Set global variable signal_SIGUSR1 to .true.
!> @details This function can be registered to catch signals send to the executable. !> @details This function can be registered to catch signals send to the executable.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR1(signal) bind(C) subroutine catchSIGUSR1(sig) bind(C)
integer(C_INT), value :: signal integer(C_INT), value :: sig
print'(a,i0)', ' received signal ',signal print'(a,i0)', ' received signal ',sig
call signals_setSIGUSR1(.true.) call signal_setSIGUSR1(.true.)
end subroutine catchSIGUSR1 end subroutine catchSIGUSR1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGUSR2 to .true. !> @brief Set global variable signal_SIGUSR2 to .true.
!> @details This function can be registered to catch signals send to the executable. !> @details This function can be registered to catch signals send to the executable.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine catchSIGUSR2(signal) bind(C) subroutine catchSIGUSR2(sig) bind(C)
integer(C_INT), value :: signal integer(C_INT), value :: sig
print'(a,i0,a)', ' received signal ',signal print'(a,i0,a)', ' received signal ',sig
call signals_setSIGUSR2(.true.) call signal_setSIGUSR2(.true.)
end subroutine catchSIGUSR2 end subroutine catchSIGUSR2
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGINT. !> @brief Set global variable signal_SIGINT.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine signals_setSIGINT(state) subroutine signal_setSIGINT(state)
logical, intent(in) :: state logical, intent(in) :: state
signals_SIGINT = state signal_SIGINT = state
print*, 'set SIGINT to',state print*, 'set SIGINT to',state
end subroutine signals_setSIGINT end subroutine signal_setSIGINT
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGUSR. !> @brief Set global variable signal_SIGUSR.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine signals_setSIGUSR1(state) subroutine signal_setSIGUSR1(state)
logical, intent(in) :: state logical, intent(in) :: state
signals_SIGUSR1 = state signal_SIGUSR1 = state
print*, 'set SIGUSR1 to',state print*, 'set SIGUSR1 to',state
end subroutine signals_setSIGUSR1 end subroutine signal_setSIGUSR1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief Set global variable signals_SIGUSR2. !> @brief Set global variable signal_SIGUSR2.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine signals_setSIGUSR2(state) subroutine signal_setSIGUSR2(state)
logical, intent(in) :: state logical, intent(in) :: state
signals_SIGUSR2 = state signal_SIGUSR2 = state
print*, 'set SIGUSR2 to',state print*, 'set SIGUSR2 to',state
end subroutine signals_setSIGUSR2 end subroutine signal_setSIGUSR2
end module signals end module signal