Merge remote-tracking branch 'origin/development' into internal-restructure
This commit is contained in:
Sharan Roongta
commit
7e9133621a
|
|
@ -9,10 +9,15 @@
|
||||||
*.hdf5 binary
|
*.hdf5 binary
|
||||||
*.pdf binary
|
*.pdf binary
|
||||||
*.dream3d binary
|
*.dream3d binary
|
||||||
|
*.pbz2 binary
|
||||||
|
|
||||||
# ignore files from MSC.Marc in language statistics
|
# ignore files from MSC.Marc in language statistics
|
||||||
installation/mods_MarcMentat/20*/* linguist-vendored
|
installation/mods_MarcMentat/** linguist-vendored
|
||||||
src/marc/include/* linguist-vendored
|
src/Marc/include/* linguist-vendored
|
||||||
|
installation/mods_MarcMentat/apply_DAMASK_modifications.py linguist-vendored=false
|
||||||
|
|
||||||
# ignore reference files for tests in language statistics
|
# ignore reference files for tests in language statistics
|
||||||
python/tests/reference/* linguist-vendored
|
python/tests/reference/** linguist-vendored
|
||||||
|
|
||||||
|
# ignore deprecated scripts
|
||||||
|
processing/legacy/** linguist-vendored
|
||||||
|
|
|
||||||
157
.gitlab-ci.yml
157
.gitlab-ci.yml
|
|
@ -1,18 +1,15 @@
|
||||||
---
|
---
|
||||||
stages:
|
stages:
|
||||||
- prepareAll
|
- prepare
|
||||||
- python
|
- python
|
||||||
- deprecated
|
|
||||||
- compile
|
- compile
|
||||||
- grid
|
- fortran
|
||||||
- marc
|
|
||||||
- performance
|
- performance
|
||||||
- createPackage
|
- deploy
|
||||||
- createDocumentation
|
- backup
|
||||||
- saveDocumentation
|
- update_master
|
||||||
- updateMaster
|
- distclean
|
||||||
- clean
|
- clean
|
||||||
- releaseLock
|
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
before_script:
|
before_script:
|
||||||
|
|
@ -74,7 +71,7 @@ variables:
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
checkout:
|
checkout:
|
||||||
stage: prepareAll
|
stage: prepare
|
||||||
before_script:
|
before_script:
|
||||||
- echo $CI_PIPELINE_ID >> $LOCAL_HOME/GitLabCI.queue
|
- echo $CI_PIPELINE_ID >> $LOCAL_HOME/GitLabCI.queue
|
||||||
- while [ $(awk "/$CI_PIPELINE_ID/{print NR}" $LOCAL_HOME/GitLabCI.queue) != 1 ];
|
- while [ $(awk "/$CI_PIPELINE_ID/{print NR}" $LOCAL_HOME/GitLabCI.queue) != 1 ];
|
||||||
|
|
@ -89,100 +86,37 @@ checkout:
|
||||||
- git checkout $CI_COMMIT_SHA
|
- git checkout $CI_COMMIT_SHA
|
||||||
- git submodule update --init
|
- git submodule update --init
|
||||||
- source env/DAMASK.sh
|
- source env/DAMASK.sh
|
||||||
- make processing
|
- ./installation/symlink_Processing.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
pytest_python:
|
processing:
|
||||||
stage: python
|
stage: python
|
||||||
script:
|
script:
|
||||||
- cd $DAMASKROOT/python
|
- cd $DAMASKROOT/python
|
||||||
- pytest --basetemp=${TESTROOT}/python -v
|
- COLUMNS=256 pytest --basetemp=${TESTROOT}/python -v --cov --cov-report=term
|
||||||
|
- coverage report --fail-under=90
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
Pre_SeedGeneration:
|
preprocessing_deprecated:
|
||||||
stage: deprecated
|
stage: python
|
||||||
script: PreProcessing_SeedGeneration/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Pre_GeomGeneration:
|
|
||||||
stage: deprecated
|
|
||||||
script: PreProcessing_GeomGeneration/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Pre_GeomModification:
|
|
||||||
stage: deprecated
|
|
||||||
script: PreProcessing_GeomModification/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Pre_General:
|
|
||||||
stage: deprecated
|
|
||||||
script: PreProcessing/test.py
|
script: PreProcessing/test.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
Post_General:
|
|
||||||
stage: deprecated
|
|
||||||
script: PostProcessing/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Post_GeometryReconstruction:
|
|
||||||
stage: deprecated
|
|
||||||
script: spectral_geometryReconstruction/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Post_addCurl:
|
|
||||||
stage: deprecated
|
|
||||||
script: addCurl/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Post_addDivergence:
|
|
||||||
stage: deprecated
|
|
||||||
script: addDivergence/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Post_addGradient:
|
|
||||||
stage: deprecated
|
|
||||||
script: addGradient/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Post_OrientationAverageMisorientation:
|
|
||||||
stage: deprecated
|
|
||||||
script:
|
|
||||||
- OrientationAverageMisorientation/test.py
|
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
compile_grid_Intel:
|
compile_grid_Intel:
|
||||||
stage: compile
|
stage: compile
|
||||||
script:
|
script:
|
||||||
- module load $IntelCompiler $MPI_Intel $PETSc_Intel
|
- module load $IntelCompiler $MPI_Intel $PETSc_Intel
|
||||||
- cd pytest
|
- cd pytest
|
||||||
- pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_Intel
|
- COLUMNS=256 pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_Intel
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
@ -192,7 +126,7 @@ compile_mesh_Intel:
|
||||||
script:
|
script:
|
||||||
- module load $IntelCompiler $MPI_Intel $PETSc_Intel
|
- module load $IntelCompiler $MPI_Intel $PETSc_Intel
|
||||||
- cd pytest
|
- cd pytest
|
||||||
- pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_Intel
|
- COLUMNS=256 pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_Intel
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
@ -202,7 +136,7 @@ compile_grid_GNU:
|
||||||
script:
|
script:
|
||||||
- module load $GNUCompiler $MPI_GNU $PETSc_GNU
|
- module load $GNUCompiler $MPI_GNU $PETSc_GNU
|
||||||
- cd pytest
|
- cd pytest
|
||||||
- pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_GNU
|
- COLUMNS=256 pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_GNU
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
@ -212,17 +146,17 @@ compile_mesh_GNU:
|
||||||
script:
|
script:
|
||||||
- module load $GNUCompiler $MPI_GNU $PETSc_GNU
|
- module load $GNUCompiler $MPI_GNU $PETSc_GNU
|
||||||
- cd pytest
|
- cd pytest
|
||||||
- pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_GNU
|
- COLUMNS=256 pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_GNU
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
compile_MARC:
|
compile_Marc:
|
||||||
stage: compile
|
stage: compile
|
||||||
script:
|
script:
|
||||||
- module load $IntelMarc $HDF5Marc $MSC
|
- module load $IntelMarc $HDF5Marc $MSC
|
||||||
- cd pytest
|
- cd pytest
|
||||||
- pytest -k 'compile and Marc' --basetemp=${TESTROOT}/compile_Marc
|
- COLUMNS=256 pytest -k 'compile and Marc' --basetemp=${TESTROOT}/compile_Marc
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
@ -252,37 +186,28 @@ setup_mesh:
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
pytest_fortran:
|
core:
|
||||||
stage: grid
|
stage: fortran
|
||||||
script:
|
script:
|
||||||
- module load $IntelCompiler $MPI_Intel $PETSc_Intel
|
- module load $IntelCompiler $MPI_Intel $PETSc_Intel
|
||||||
- cd pytest
|
- cd pytest
|
||||||
- pytest -k 'not compile' --basetemp=${TESTROOT}/fortran -v
|
- COLUMNS=256 pytest -k 'not compile' --basetemp=${TESTROOT}/fortran -v
|
||||||
except:
|
|
||||||
- master
|
|
||||||
- release
|
|
||||||
|
|
||||||
Plasticity_DetectChanges:
|
|
||||||
stage: grid
|
|
||||||
script: Plasticity_DetectChanges/test.py
|
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
Phenopowerlaw_singleSlip:
|
Phenopowerlaw_singleSlip:
|
||||||
stage: grid
|
stage: fortran
|
||||||
script: Phenopowerlaw_singleSlip/test.py
|
script: Phenopowerlaw_singleSlip/test.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
|
|
||||||
###################################################################################################
|
|
||||||
J2_plasticBehavior:
|
J2_plasticBehavior:
|
||||||
stage: marc
|
stage: fortran
|
||||||
script:
|
script:
|
||||||
- module load $IntelMarc $HDF5Marc $MSC
|
- module load $IntelMarc $HDF5Marc $MSC
|
||||||
- J2_plasticBehavior/test.py
|
- MSC_VERSION=2020 J2_plasticBehavior/test.py
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
@ -294,7 +219,7 @@ SpectralRuntime:
|
||||||
script:
|
script:
|
||||||
- module load $IntelCompiler $MPI_Intel $PETSc_Intel
|
- module load $IntelCompiler $MPI_Intel $PETSc_Intel
|
||||||
- cd $DAMASKROOT
|
- cd $DAMASKROOT
|
||||||
- make clean grid processing OPTIMIZATION=AGGRESSIVE
|
- make clean grid OPTIMIZATION=AGGRESSIVE
|
||||||
- cd $LOCAL_HOME/performance # location of old results
|
- cd $LOCAL_HOME/performance # location of old results
|
||||||
- git checkout . # undo any changes (i.e. run time data from non-development branch)
|
- git checkout . # undo any changes (i.e. run time data from non-development branch)
|
||||||
- cd $DAMASKROOT/PRIVATE/testing
|
- cd $DAMASKROOT/PRIVATE/testing
|
||||||
|
|
@ -304,27 +229,27 @@ SpectralRuntime:
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
createTar:
|
source_distribution:
|
||||||
stage: createPackage
|
stage: deploy
|
||||||
script:
|
script:
|
||||||
- cd $(mktemp -d)
|
- cd $(mktemp -d)
|
||||||
- $DAMASKROOT/PRIVATE/releasing/deployMe.sh $CI_COMMIT_SHA
|
- $DAMASKROOT/PRIVATE/releasing/deploy.sh $DAMASKROOT $CI_COMMIT_SHA
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
library_documentation:
|
||||||
Python:
|
stage: deploy
|
||||||
stage: createDocumentation
|
|
||||||
script:
|
script:
|
||||||
- echo 'tbd one matesting1'
|
- cd $DAMASKROOT/PRIVATE/documenting/sphinx
|
||||||
|
- make html
|
||||||
except:
|
except:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
##################################################################################################
|
##################################################################################################
|
||||||
backupData:
|
backup_runtime_measurement:
|
||||||
stage: saveDocumentation
|
stage: backup
|
||||||
script:
|
script:
|
||||||
- cd $LOCAL_HOME/performance # location of new runtime results
|
- cd $LOCAL_HOME/performance # location of new runtime results
|
||||||
- git commit -am"${CI_PIPELINE_ID}_${CI_COMMIT_SHA}"
|
- git commit -am"${CI_PIPELINE_ID}_${CI_COMMIT_SHA}"
|
||||||
|
|
@ -335,8 +260,8 @@ backupData:
|
||||||
- development
|
- development
|
||||||
|
|
||||||
##################################################################################################
|
##################################################################################################
|
||||||
mergeIntoMaster:
|
merge_into_master:
|
||||||
stage: updateMaster
|
stage: update_master
|
||||||
script:
|
script:
|
||||||
- cd $DAMASKROOT
|
- cd $DAMASKROOT
|
||||||
- export TESTEDREV=$(git describe) # might be detached from development branch
|
- export TESTEDREV=$(git describe) # might be detached from development branch
|
||||||
|
|
@ -354,8 +279,8 @@ mergeIntoMaster:
|
||||||
- development
|
- development
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
removeData:
|
remove_data:
|
||||||
stage: clean
|
stage: distclean
|
||||||
before_script:
|
before_script:
|
||||||
- echo "Removing data and lock of pipeline $CI_PIPELINE_ID"
|
- echo "Removing data and lock of pipeline $CI_PIPELINE_ID"
|
||||||
script:
|
script:
|
||||||
|
|
@ -366,8 +291,8 @@ removeData:
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
removeLock:
|
remove_lock:
|
||||||
stage: releaseLock
|
stage: clean
|
||||||
before_script:
|
before_script:
|
||||||
- echo "Removing lock of pipeline $CI_PIPELINE_ID"
|
- echo "Removing lock of pipeline $CI_PIPELINE_ID"
|
||||||
when: always
|
when: always
|
||||||
|
|
|
||||||
|
|
@ -4,7 +4,7 @@ include (FindPkgConfig REQUIRED)
|
||||||
# Dummy project to determine compiler names and version
|
# Dummy project to determine compiler names and version
|
||||||
project (Prerequisites LANGUAGES)
|
project (Prerequisites LANGUAGES)
|
||||||
set(ENV{PKG_CONFIG_PATH} "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/pkgconfig")
|
set(ENV{PKG_CONFIG_PATH} "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/pkgconfig")
|
||||||
pkg_check_modules (PETSC REQUIRED PETSc>=3.12.0 PETSc<3.15.0)
|
pkg_check_modules (PETSC REQUIRED PETSc>=3.12.0 PETSc<3.16.0)
|
||||||
pkg_get_variable (CMAKE_Fortran_COMPILER PETSc fcompiler)
|
pkg_get_variable (CMAKE_Fortran_COMPILER PETSc fcompiler)
|
||||||
pkg_get_variable (CMAKE_C_COMPILER PETSc ccompiler)
|
pkg_get_variable (CMAKE_C_COMPILER PETSc ccompiler)
|
||||||
|
|
||||||
|
|
|
||||||
2
LICENSE
2
LICENSE
|
|
@ -1,4 +1,4 @@
|
||||||
Copyright 2011-21 Max-Planck-Institut für Eisenforschung GmbH
|
Copyright 2011-2021 Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
|
||||||
DAMASK is free software: you can redistribute it and/or modify
|
DAMASK is free software: you can redistribute it and/or modify
|
||||||
it under the terms of the GNU General Public License as published by
|
it under the terms of the GNU General Public License as published by
|
||||||
|
|
|
||||||
18
Makefile
18
Makefile
|
|
@ -1,26 +1,24 @@
|
||||||
SHELL = /bin/sh
|
SHELL = /bin/sh
|
||||||
########################################################################################
|
|
||||||
# Makefile for the installation of DAMASK
|
###################################################################################################
|
||||||
########################################################################################
|
# One-command-build invoking CMake (meant for developers, should not be part of the distribution)
|
||||||
|
###################################################################################################
|
||||||
|
|
||||||
.PHONY: all
|
.PHONY: all
|
||||||
all: grid mesh processing
|
all: grid mesh
|
||||||
|
|
||||||
.PHONY: grid
|
.PHONY: grid
|
||||||
grid:
|
grid:
|
||||||
@cmake -B build/grid -DDAMASK_SOLVER=GRID -DCMAKE_INSTALL_PREFIX=${PWD} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP}
|
@cmake -B build/grid -DDAMASK_SOLVER=GRID -DCMAKE_INSTALL_PREFIX=${PWD} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP}
|
||||||
@cmake --build build/grid --parallel ${DAMASK_NUM_THRADS}
|
@cmake --build build/grid --parallel
|
||||||
@cmake --install build/grid
|
@cmake --install build/grid
|
||||||
|
|
||||||
.PHONY: mesh
|
.PHONY: mesh
|
||||||
mesh:
|
mesh:
|
||||||
@cmake -B build/mesh -DDAMASK_SOLVER=MESH -DCMAKE_INSTALL_PREFIX=${PWD} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP}
|
@cmake -B build/mesh -DDAMASK_SOLVER=MESH -DCMAKE_INSTALL_PREFIX=${PWD} -DCMAKE_BUILD_TYPE=${BUILD_TYPE} -DBUILDCMD_POST=${BUILDCMD_POST} -DBUILDCMD_PRE=${BUILDCMD_PRE} -DOPTIMIZATION=${OPTIMIZATION} -DOPENMP=${OPENMP}
|
||||||
@cmake --build build/mesh --parallel ${DAMASK_NUM_THRADS}
|
@cmake --build build/mesh --parallel
|
||||||
@cmake --install build/mesh
|
@cmake --install build/mesh
|
||||||
|
|
||||||
.PHONY: clean
|
.PHONY: clean
|
||||||
clean:
|
clean:
|
||||||
@rm -rf build
|
@rm -rf build
|
||||||
|
|
||||||
.PHONY: processing
|
|
||||||
processing:
|
|
||||||
@./installation/symlink_Processing.py ${MAKEFLAGS}
|
|
||||||
|
|
|
||||||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
||||||
Subproject commit 6abcd3dba91f37c747eae04c6695949e819ec54b
|
Subproject commit ab64793bb04c506d815ebc850672ed0f2d013e67
|
||||||
|
|
@ -10,7 +10,7 @@ if (OPENMP)
|
||||||
endif ()
|
endif ()
|
||||||
|
|
||||||
if (OPTIMIZATION STREQUAL "OFF")
|
if (OPTIMIZATION STREQUAL "OFF")
|
||||||
set (OPTIMIZATION_FLAGS "-O0" )
|
set (OPTIMIZATION_FLAGS "-O0")
|
||||||
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
|
||||||
set (OPTIMIZATION_FLAGS "-O2")
|
set (OPTIMIZATION_FLAGS "-O2")
|
||||||
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
|
||||||
|
|
@ -117,6 +117,8 @@ set (COMPILE_FLAGS "${COMPILE_FLAGS} -ffpe-summary=all")
|
||||||
# Runtime debugging
|
# Runtime debugging
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ffpe-trap=invalid,zero,overflow")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -ffpe-trap=invalid,zero,overflow")
|
||||||
# stop execution if floating point exception is detected (NaN is silent)
|
# stop execution if floating point exception is detected (NaN is silent)
|
||||||
|
# Additional options
|
||||||
|
# -ffpe-trap=precision,denormal,underflow
|
||||||
|
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
|
||||||
# Generate symbolic debugging information in the object file
|
# Generate symbolic debugging information in the object file
|
||||||
|
|
@ -126,8 +128,13 @@ set (DEBUG_FLAGS "${DEBUG_FLAGS} -fdump-core")
|
||||||
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fcheck=all")
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fcheck=all")
|
||||||
# checks for (array-temps,bounds,do,mem,pointer,recursion)
|
# checks for (array-temps,bounds,do,mem,pointer,recursion)
|
||||||
|
|
||||||
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fstack-protector-all")
|
||||||
|
# Inserts a guard variable onto the stack frame for all functions
|
||||||
|
|
||||||
|
set (DEBUG_FLAGS "${DEBUG_FLAGS} -fsanitize=undefined")
|
||||||
|
# detect undefined behavior
|
||||||
# Additional options
|
# Additional options
|
||||||
# -ffpe-trap=precision,denormal,underflow
|
# -fsanitize=address,leak,thread
|
||||||
|
|
||||||
#------------------------------------------------------------------------------------------------
|
#------------------------------------------------------------------------------------------------
|
||||||
# precision settings
|
# precision settings
|
||||||
|
|
|
||||||
|
|
@ -1,5 +0,0 @@
|
||||||
# "set"-syntax needed only for tcsh (but works with bash and zsh)
|
|
||||||
set OMP_NUM_THREADS = 4
|
|
||||||
|
|
||||||
set MSC_ROOT = /opt/msc
|
|
||||||
set MSC_VERSION = 2020
|
|
||||||
|
|
@ -19,17 +19,9 @@ fi
|
||||||
|
|
||||||
DAMASK_ROOT=$(canonicalPath "$ENV_ROOT/../")
|
DAMASK_ROOT=$(canonicalPath "$ENV_ROOT/../")
|
||||||
|
|
||||||
|
|
||||||
# shorthand command to change to DAMASK_ROOT directory
|
# shorthand command to change to DAMASK_ROOT directory
|
||||||
eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
|
eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
|
||||||
|
|
||||||
# defining set() allows to source the same file for tcsh and bash, with and without space around =
|
|
||||||
set() {
|
|
||||||
export $1$2$3
|
|
||||||
}
|
|
||||||
source $ENV_ROOT/CONFIG
|
|
||||||
unset -f set
|
|
||||||
|
|
||||||
# add BRANCH if DAMASK_ROOT is a git repository
|
# add BRANCH if DAMASK_ROOT is a git repository
|
||||||
cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
|
cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
|
||||||
|
|
||||||
|
|
@ -86,9 +78,6 @@ if [ ! -z "$PS1" ]; then
|
||||||
echo
|
echo
|
||||||
fi
|
fi
|
||||||
|
|
||||||
export OMP_NUM_THREADS
|
|
||||||
export MSC_ROOT
|
|
||||||
export MSC_VERSION
|
|
||||||
export DAMASK_ROOT
|
export DAMASK_ROOT
|
||||||
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -12,16 +12,6 @@ function blink {
|
||||||
ENV_ROOT=$(canonicalPath "${0:a:h}")
|
ENV_ROOT=$(canonicalPath "${0:a:h}")
|
||||||
DAMASK_ROOT=$(canonicalPath "${0:a:h}'/..")
|
DAMASK_ROOT=$(canonicalPath "${0:a:h}'/..")
|
||||||
|
|
||||||
# shorthand command to change to DAMASK_ROOT directory
|
|
||||||
eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
|
|
||||||
|
|
||||||
# defining set() allows to source the same file for tcsh and zsh, with and without space around =
|
|
||||||
set() {
|
|
||||||
export $1$2$3
|
|
||||||
}
|
|
||||||
source $ENV_ROOT/CONFIG
|
|
||||||
unset -f set
|
|
||||||
|
|
||||||
# add BRANCH if DAMASK_ROOT is a git repository
|
# add BRANCH if DAMASK_ROOT is a git repository
|
||||||
cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
|
cd $DAMASK_ROOT >/dev/null; BRANCH=$(git branch 2>/dev/null| grep -E '^\* '); cd - >/dev/null
|
||||||
|
|
||||||
|
|
@ -80,9 +70,6 @@ if [ ! -z "$PS1" ]; then
|
||||||
echo
|
echo
|
||||||
fi
|
fi
|
||||||
|
|
||||||
export OMP_NUM_THREADS
|
|
||||||
export MSC_ROOT
|
|
||||||
export MSC_VERSION
|
|
||||||
export DAMASK_ROOT
|
export DAMASK_ROOT
|
||||||
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
export PYTHONPATH=$DAMASK_ROOT/python:$PYTHONPATH
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -3,3 +3,6 @@
|
||||||
*.xdmf
|
*.xdmf
|
||||||
*.sta
|
*.sta
|
||||||
*.vt*
|
*.vt*
|
||||||
|
*.out
|
||||||
|
*.sts
|
||||||
|
*.t16
|
||||||
|
|
|
||||||
|
|
@ -1,3 +0,0 @@
|
||||||
damage nonlocal
|
|
||||||
initialDamage 1.0
|
|
||||||
(output) damage
|
|
||||||
|
|
@ -1,3 +0,0 @@
|
||||||
[SX]
|
|
||||||
mech isostrain
|
|
||||||
nconstituents 1
|
|
||||||
|
|
@ -1,3 +0,0 @@
|
||||||
[Taylor2]
|
|
||||||
mech isostrain
|
|
||||||
nconstituents 2
|
|
||||||
|
|
@ -1,3 +0,0 @@
|
||||||
[directSX]
|
|
||||||
mech none
|
|
||||||
|
|
||||||
|
|
@ -1,19 +0,0 @@
|
||||||
[8Grains]
|
|
||||||
mech RGC
|
|
||||||
nconstituents 8
|
|
||||||
clustersize 2 2 2 # product of these numbers must be equal to nconstituents(!)
|
|
||||||
clusterorientation 0.0 0.0 0.0 # orientation of cluster in terms of zxz Euler-angles in degree (random if not present)
|
|
||||||
# clusterorientation 0.0 26.57 0.0 # [012]
|
|
||||||
# clusterorientation 0.0 45.00 0.0 # [011]
|
|
||||||
# clusterorientation 0.0 26.57 24.10 # [112]
|
|
||||||
# clusterorientation 0.0 45.00 19.47 # [122]
|
|
||||||
# clusterorientation 0.0 45.00 35.26 # [111]
|
|
||||||
grainsize 4.0e-6 4.0e-6 2.0e-6 # in [m]
|
|
||||||
overproportionality 2.0e+0 # typical range between 0.001 to 1000
|
|
||||||
scalingparameter 1.0e+1 # typical range between 0.001 to 1000
|
|
||||||
(output) constitutivework
|
|
||||||
(output) magnitudemismatch
|
|
||||||
(output) penaltyenergy
|
|
||||||
(output) volumediscrepancy
|
|
||||||
(output) averagerelaxrate
|
|
||||||
(output) maximumrelaxrate
|
|
||||||
|
|
@ -1,3 +0,0 @@
|
||||||
thermal conduction
|
|
||||||
t0 270.0
|
|
||||||
(output) temperature
|
|
||||||
|
|
@ -1,2 +0,0 @@
|
||||||
damage_diffusion11 1.0
|
|
||||||
damage_mobility 0.001
|
|
||||||
|
|
@ -1,8 +0,0 @@
|
||||||
[IsotropicVolumePreservation]
|
|
||||||
elasticity hooke
|
|
||||||
plasticity none
|
|
||||||
|
|
||||||
### Material parameters ###
|
|
||||||
lattice_structure iso
|
|
||||||
C11 100.0e9
|
|
||||||
C12 66.6666667e9
|
|
||||||
|
|
@ -1,15 +0,0 @@
|
||||||
[Orthorombic]
|
|
||||||
|
|
||||||
elasticity hooke
|
|
||||||
plasticity none
|
|
||||||
|
|
||||||
lattice_structure orthorhombic
|
|
||||||
c11 106.75e9
|
|
||||||
c22 106.75e9
|
|
||||||
c33 106.75e9
|
|
||||||
c12 60.41e9
|
|
||||||
c13 60.41e9
|
|
||||||
c23 60.41e9
|
|
||||||
c44 28.34e9
|
|
||||||
c55 28.34e9
|
|
||||||
c66 28.34e9
|
|
||||||
|
|
@ -1,21 +0,0 @@
|
||||||
# parameters fitted by D. Ma to:
|
|
||||||
# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals
|
|
||||||
# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35-43
|
|
||||||
# DOI: 10.1016/S0749-6419(95)00043-7
|
|
||||||
|
|
||||||
Gold:
|
|
||||||
lattice: cF
|
|
||||||
mechanical:
|
|
||||||
output: [F, P, F_e, F_p, L_p, O]
|
|
||||||
elastic: {type: hooke, C_11: 191e9, C_12: 162e9, C_44: 42.2e9}
|
|
||||||
plastic:
|
|
||||||
type: phenopowerlaw
|
|
||||||
output: [xi_sl]
|
|
||||||
N_sl: [12]
|
|
||||||
n_sl: 83
|
|
||||||
dot_gamma_0_sl: 0.001
|
|
||||||
h_0_sl_sl: 75e6
|
|
||||||
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
|
||||||
a_sl: 1.0
|
|
||||||
xi_0_sl: [26e6]
|
|
||||||
xi_inf_sl: [53e6]
|
|
||||||
|
|
@ -1,4 +0,0 @@
|
||||||
thermal_conductivity11 237.0
|
|
||||||
specific_heat 910.0
|
|
||||||
mass_density 2700.0
|
|
||||||
reference_temperature 300.0
|
|
||||||
|
|
@ -1,5 +0,0 @@
|
||||||
(source) damage_isoBrittle
|
|
||||||
isobrittle_criticalStrainEnergy 1400000.0
|
|
||||||
isobrittle_atol 0.01
|
|
||||||
isobrittle_N 1.0
|
|
||||||
(output) isoBrittle_DrivingForce
|
|
||||||
|
|
@ -1,2 +0,0 @@
|
||||||
(source) thermal_dissipation
|
|
||||||
dissipation_ColdWorkCoeff 0.95
|
|
||||||
|
|
@ -1,20 +0,0 @@
|
||||||
### debugging parameters ###
|
|
||||||
## case sensitive keys
|
|
||||||
# example:
|
|
||||||
# --------
|
|
||||||
# mesh: [basic, extensive] # switches on the "basic" and "extensive" debugging in mesh-related functions/subroutines
|
|
||||||
#
|
|
||||||
|
|
||||||
mesh: [basic,extensive] # mesh.f90, possible value: basic, extensive
|
|
||||||
material: [basic, extensive] # material.f90, possible values: basic, extensive
|
|
||||||
constitutive: [basic, extensive, selective] # constitutive_*.f90 possible values: basic, extensive, selective
|
|
||||||
crystallite: [basic, extensive, selective] # crystallite.f90 possible values: basic, extensive, selective
|
|
||||||
homogenization: [basic, extensive, selective] # homogenization_*.f90 possible values: basic, extensive, selective
|
|
||||||
cpfem: [basic, extensive, selective] # CPFEM.f90 possible values: basic, extensive, selective
|
|
||||||
grid: [basic, fft, restart, divergence, rotation, petsc] # DAMASK_spectral.f90 possible values: basic, fft, restart, divergence, rotation, petsc
|
|
||||||
marc: [basic] # MSC.MARC FEM solver possible values: basic
|
|
||||||
#
|
|
||||||
# Parameters for selective
|
|
||||||
element: 1 # selected element for debugging
|
|
||||||
integrationpoint: 1 # selected integration point for debugging
|
|
||||||
grain: 1 # selected grain at ip for debugging
|
|
||||||
|
|
@ -1,429 +0,0 @@
|
||||||
#-------------------#
|
|
||||||
<homogenization>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
{../ConfigFiles/Homogenization_None_Dummy.config}
|
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<microstructure>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
[Grain001]
|
|
||||||
(constituent) phase 1 texture 1 fraction 1.0
|
|
||||||
[Grain002]
|
|
||||||
(constituent) phase 1 texture 2 fraction 1.0
|
|
||||||
[Grain003]
|
|
||||||
(constituent) phase 1 texture 3 fraction 1.0
|
|
||||||
[Grain004]
|
|
||||||
(constituent) phase 1 texture 4 fraction 1.0
|
|
||||||
[Grain005]
|
|
||||||
(constituent) phase 1 texture 5 fraction 1.0
|
|
||||||
[Grain006]
|
|
||||||
(constituent) phase 1 texture 6 fraction 1.0
|
|
||||||
[Grain007]
|
|
||||||
(constituent) phase 1 texture 7 fraction 1.0
|
|
||||||
[Grain008]
|
|
||||||
(constituent) phase 1 texture 8 fraction 1.0
|
|
||||||
[Grain009]
|
|
||||||
(constituent) phase 1 texture 9 fraction 1.0
|
|
||||||
[Grain010]
|
|
||||||
(constituent) phase 1 texture 10 fraction 1.0
|
|
||||||
[Grain011]
|
|
||||||
(constituent) phase 1 texture 11 fraction 1.0
|
|
||||||
[Grain012]
|
|
||||||
(constituent) phase 1 texture 12 fraction 1.0
|
|
||||||
[Grain013]
|
|
||||||
(constituent) phase 1 texture 13 fraction 1.0
|
|
||||||
[Grain014]
|
|
||||||
(constituent) phase 1 texture 14 fraction 1.0
|
|
||||||
[Grain015]
|
|
||||||
(constituent) phase 1 texture 15 fraction 1.0
|
|
||||||
[Grain016]
|
|
||||||
(constituent) phase 1 texture 16 fraction 1.0
|
|
||||||
[Grain017]
|
|
||||||
(constituent) phase 1 texture 17 fraction 1.0
|
|
||||||
[Grain018]
|
|
||||||
(constituent) phase 1 texture 18 fraction 1.0
|
|
||||||
[Grain019]
|
|
||||||
(constituent) phase 1 texture 19 fraction 1.0
|
|
||||||
[Grain020]
|
|
||||||
(constituent) phase 1 texture 20 fraction 1.0
|
|
||||||
[Grain021]
|
|
||||||
(constituent) phase 1 texture 21 fraction 1.0
|
|
||||||
[Grain022]
|
|
||||||
(constituent) phase 1 texture 22 fraction 1.0
|
|
||||||
[Grain023]
|
|
||||||
(constituent) phase 1 texture 23 fraction 1.0
|
|
||||||
[Grain024]
|
|
||||||
(constituent) phase 1 texture 24 fraction 1.0
|
|
||||||
[Grain025]
|
|
||||||
(constituent) phase 1 texture 25 fraction 1.0
|
|
||||||
[Grain026]
|
|
||||||
(constituent) phase 1 texture 26 fraction 1.0
|
|
||||||
[Grain027]
|
|
||||||
(constituent) phase 1 texture 27 fraction 1.0
|
|
||||||
[Grain028]
|
|
||||||
(constituent) phase 1 texture 28 fraction 1.0
|
|
||||||
[Grain029]
|
|
||||||
(constituent) phase 1 texture 29 fraction 1.0
|
|
||||||
[Grain030]
|
|
||||||
(constituent) phase 1 texture 30 fraction 1.0
|
|
||||||
[Grain031]
|
|
||||||
(constituent) phase 1 texture 31 fraction 1.0
|
|
||||||
[Grain032]
|
|
||||||
(constituent) phase 1 texture 32 fraction 1.0
|
|
||||||
[Grain033]
|
|
||||||
(constituent) phase 1 texture 33 fraction 1.0
|
|
||||||
[Grain034]
|
|
||||||
(constituent) phase 1 texture 34 fraction 1.0
|
|
||||||
[Grain035]
|
|
||||||
(constituent) phase 1 texture 35 fraction 1.0
|
|
||||||
[Grain036]
|
|
||||||
(constituent) phase 1 texture 36 fraction 1.0
|
|
||||||
[Grain037]
|
|
||||||
(constituent) phase 1 texture 37 fraction 1.0
|
|
||||||
[Grain038]
|
|
||||||
(constituent) phase 1 texture 38 fraction 1.0
|
|
||||||
[Grain039]
|
|
||||||
(constituent) phase 1 texture 39 fraction 1.0
|
|
||||||
[Grain040]
|
|
||||||
(constituent) phase 1 texture 40 fraction 1.0
|
|
||||||
[Grain041]
|
|
||||||
(constituent) phase 1 texture 41 fraction 1.0
|
|
||||||
[Grain042]
|
|
||||||
(constituent) phase 1 texture 42 fraction 1.0
|
|
||||||
[Grain043]
|
|
||||||
(constituent) phase 1 texture 43 fraction 1.0
|
|
||||||
[Grain044]
|
|
||||||
(constituent) phase 1 texture 44 fraction 1.0
|
|
||||||
[Grain045]
|
|
||||||
(constituent) phase 1 texture 45 fraction 1.0
|
|
||||||
[Grain046]
|
|
||||||
(constituent) phase 1 texture 46 fraction 1.0
|
|
||||||
[Grain047]
|
|
||||||
(constituent) phase 1 texture 47 fraction 1.0
|
|
||||||
[Grain048]
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|
|
||||||
|
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<phase>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
{../ConfigFiles/Phase_Phenopowerlaw_Aluminum.config}
|
|
||||||
|
|
||||||
{../ConfigFiles/Phase_Isotropic_AluminumIsotropic.config}
|
|
||||||
Binary file not shown.
|
|
@ -0,0 +1,31 @@
|
||||||
|
---
|
||||||
|
homogenization:
|
||||||
|
SX:
|
||||||
|
N_constituents: 1
|
||||||
|
mechanical: {type: pass}
|
||||||
|
|
||||||
|
phase:
|
||||||
|
Aluminum:
|
||||||
|
lattice: cF
|
||||||
|
mechanical:
|
||||||
|
output: [F, P, F_e, F_p, L_p, O]
|
||||||
|
elastic: {type: Hooke, C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9}
|
||||||
|
plastic:
|
||||||
|
type: phenopowerlaw
|
||||||
|
N_sl: [12]
|
||||||
|
a_sl: 2.25
|
||||||
|
atol_xi: 1.0
|
||||||
|
dot_gamma_0_sl: 0.001
|
||||||
|
h_0_sl_sl: 75e6
|
||||||
|
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
||||||
|
n_sl: 20
|
||||||
|
output: [xi_sl]
|
||||||
|
xi_0_sl: [31e6]
|
||||||
|
xi_inf_sl: [63e6]
|
||||||
|
|
||||||
|
material:
|
||||||
|
- homogenization: SX
|
||||||
|
constituents:
|
||||||
|
- phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
O: [0.9330127018922194, 0.25, 0.06698729810778066, 0.25]
|
||||||
|
|
@ -0,0 +1,406 @@
|
||||||
|
title r-value
|
||||||
|
$....MARC input file produced by Marc Mentat 2019 (64bit)
|
||||||
|
$...................................
|
||||||
|
$....input file using extended precision
|
||||||
|
extended
|
||||||
|
$...................................
|
||||||
|
sizing 0 80 165 0
|
||||||
|
alloc 25
|
||||||
|
elements 7
|
||||||
|
version 14 1 0 1
|
||||||
|
table 0 0 2 1 1 0 0 1
|
||||||
|
processor 1 1 1 0
|
||||||
|
$no list
|
||||||
|
large stra 2 1 0 0 0 0 0
|
||||||
|
all points
|
||||||
|
no echo 1 2 3 4
|
||||||
|
state vars 3
|
||||||
|
end
|
||||||
|
$...................
|
||||||
|
solver
|
||||||
|
8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
|
||||||
|
optimize 11
|
||||||
|
connectivity
|
||||||
|
0 0 1 0 1 1 0 0 0
|
||||||
|
1 7 2 5 20 17 1 4 19 16
|
||||||
|
2 7 3 6 21 18 2 5 20 17
|
||||||
|
3 7 5 8 23 20 4 7 22 19
|
||||||
|
4 7 6 9 24 21 5 8 23 20
|
||||||
|
5 7 8 11 26 23 7 10 25 22
|
||||||
|
6 7 9 12 27 24 8 11 26 23
|
||||||
|
7 7 11 14 29 26 10 13 28 25
|
||||||
|
8 7 12 15 30 27 11 14 29 26
|
||||||
|
9 7 17 20 35 32 16 19 34 31
|
||||||
|
10 7 18 21 36 33 17 20 35 32
|
||||||
|
11 7 20 23 38 35 19 22 37 34
|
||||||
|
12 7 21 24 39 36 20 23 38 35
|
||||||
|
13 7 23 26 41 38 22 25 40 37
|
||||||
|
14 7 24 27 42 39 23 26 41 38
|
||||||
|
15 7 26 29 44 41 25 28 43 40
|
||||||
|
16 7 27 30 45 42 26 29 44 41
|
||||||
|
17 7 32 35 50 47 31 34 49 46
|
||||||
|
18 7 33 36 51 48 32 35 50 47
|
||||||
|
19 7 35 38 53 50 34 37 52 49
|
||||||
|
20 7 36 39 54 51 35 38 53 50
|
||||||
|
21 7 38 41 56 53 37 40 55 52
|
||||||
|
22 7 39 42 57 54 38 41 56 53
|
||||||
|
23 7 41 44 59 56 40 43 58 55
|
||||||
|
24 7 42 45 60 57 41 44 59 56
|
||||||
|
25 7 47 50 65 62 46 49 64 61
|
||||||
|
26 7 48 51 66 63 47 50 65 62
|
||||||
|
27 7 50 53 68 65 49 52 67 64
|
||||||
|
28 7 51 54 69 66 50 53 68 65
|
||||||
|
29 7 53 56 71 68 52 55 70 67
|
||||||
|
30 7 54 57 72 69 53 56 71 68
|
||||||
|
31 7 56 59 74 71 55 58 73 70
|
||||||
|
32 7 57 60 75 72 56 59 74 71
|
||||||
|
33 7 62 65 80 77 61 64 79 76
|
||||||
|
34 7 63 66 81 78 62 65 80 77
|
||||||
|
35 7 65 68 83 80 64 67 82 79
|
||||||
|
36 7 66 69 84 81 65 68 83 80
|
||||||
|
37 7 68 71 86 83 67 70 85 82
|
||||||
|
38 7 69 72 87 84 68 71 86 83
|
||||||
|
39 7 71 74 89 86 70 73 88 85
|
||||||
|
40 7 72 75 90 87 71 74 89 86
|
||||||
|
41 7 77 80 95 92 76 79 94 91
|
||||||
|
42 7 78 81 96 93 77 80 95 92
|
||||||
|
43 7 80 83 98 95 79 82 97 94
|
||||||
|
44 7 81 84 99 96 80 83 98 95
|
||||||
|
45 7 83 86 101 98 82 85 100 97
|
||||||
|
46 7 84 87 102 99 83 86 101 98
|
||||||
|
47 7 86 89 104 101 85 88 103 100
|
||||||
|
48 7 87 90 105 102 86 89 104 101
|
||||||
|
49 7 92 95 110 107 91 94 109 106
|
||||||
|
50 7 93 96 111 108 92 95 110 107
|
||||||
|
51 7 95 98 113 110 94 97 112 109
|
||||||
|
52 7 96 99 114 111 95 98 113 110
|
||||||
|
53 7 98 101 116 113 97 100 115 112
|
||||||
|
54 7 99 102 117 114 98 101 116 113
|
||||||
|
55 7 101 104 119 116 100 103 118 115
|
||||||
|
56 7 102 105 120 117 101 104 119 116
|
||||||
|
57 7 107 110 125 122 106 109 124 121
|
||||||
|
58 7 108 111 126 123 107 110 125 122
|
||||||
|
59 7 110 113 128 125 109 112 127 124
|
||||||
|
60 7 111 114 129 126 110 113 128 125
|
||||||
|
61 7 113 116 131 128 112 115 130 127
|
||||||
|
62 7 114 117 132 129 113 116 131 128
|
||||||
|
63 7 116 119 134 131 115 118 133 130
|
||||||
|
64 7 117 120 135 132 116 119 134 131
|
||||||
|
65 7 122 125 140 137 121 124 139 136
|
||||||
|
66 7 123 126 141 138 122 125 140 137
|
||||||
|
67 7 125 128 143 140 124 127 142 139
|
||||||
|
68 7 126 129 144 141 125 128 143 140
|
||||||
|
69 7 128 131 146 143 127 130 145 142
|
||||||
|
70 7 129 132 147 144 128 131 146 143
|
||||||
|
71 7 131 134 149 146 130 133 148 145
|
||||||
|
72 7 132 135 150 147 131 134 149 146
|
||||||
|
73 7 137 140 155 152 136 139 154 151
|
||||||
|
74 7 138 141 156 153 137 140 155 152
|
||||||
|
75 7 140 143 158 155 139 142 157 154
|
||||||
|
76 7 141 144 159 156 140 143 158 155
|
||||||
|
77 7 143 146 161 158 142 145 160 157
|
||||||
|
78 7 144 147 162 159 143 146 161 158
|
||||||
|
79 7 146 149 164 161 145 148 163 160
|
||||||
|
80 7 147 150 165 162 146 149 164 161
|
||||||
|
coordinates
|
||||||
|
3 165 0 1
|
||||||
|
1-4.000000000000000+1-1.000000000000000+1-5.000000000000000-1
|
||||||
|
2-4.000000000000000+1-1.000000000000000+1 0.000000000000000+0
|
||||||
|
3-4.000000000000000+1-1.000000000000000+1 5.000000000000000-1
|
||||||
|
4-4.000000000000000+1-5.000000000000000+0-5.000000000000000-1
|
||||||
|
5-4.000000000000000+1-5.000000000000000+0 0.000000000000000+0
|
||||||
|
6-4.000000000000000+1-5.000000000000000+0 5.000000000000000-1
|
||||||
|
7-4.000000000000000+1 0.000000000000000+0-5.000000000000000-1
|
||||||
|
8-4.000000000000000+1 0.000000000000000+0 0.000000000000000+0
|
||||||
|
9-4.000000000000000+1 0.000000000000000+0 5.000000000000000-1
|
||||||
|
10-4.000000000000000+1 5.000000000000000+0-5.000000000000000-1
|
||||||
|
11-4.000000000000000+1 5.000000000000000+0 0.000000000000000+0
|
||||||
|
12-4.000000000000000+1 5.000000000000000+0 5.000000000000000-1
|
||||||
|
13-4.000000000000000+1 9.999999999999996+0-5.000000000000000-1
|
||||||
|
14-4.000000000000000+1 9.999999999999996+0 0.000000000000000+0
|
||||||
|
15-4.000000000000000+1 9.999999999999996+0 5.000000000000000-1
|
||||||
|
16-3.200000000000000+1-1.000000000000000+1-5.000000000000000-1
|
||||||
|
17-3.200000000000000+1-1.000000000000000+1 0.000000000000000+0
|
||||||
|
18-3.200000000000000+1-1.000000000000000+1 5.000000000000000-1
|
||||||
|
19-3.200000000000000+1-5.000000000000000+0-5.000000000000000-1
|
||||||
|
20-3.200000000000000+1-5.000000000000000+0 0.000000000000000+0
|
||||||
|
21-3.200000000000000+1-5.000000000000000+0 5.000000000000000-1
|
||||||
|
22-3.200000000000000+1 0.000000000000000+0-5.000000000000000-1
|
||||||
|
23-3.200000000000000+1 0.000000000000000+0 0.000000000000000+0
|
||||||
|
24-3.200000000000000+1 0.000000000000000+0 5.000000000000000-1
|
||||||
|
25-3.200000000000000+1 5.000000000000000+0-5.000000000000000-1
|
||||||
|
26-3.200000000000000+1 5.000000000000000+0 0.000000000000000+0
|
||||||
|
27-3.200000000000000+1 5.000000000000000+0 5.000000000000000-1
|
||||||
|
28-3.200000000000000+1 1.000000000000000+1-5.000000000000000-1
|
||||||
|
29-3.200000000000000+1 1.000000000000000+1 0.000000000000000+0
|
||||||
|
30-3.200000000000000+1 1.000000000000000+1 5.000000000000000-1
|
||||||
|
31-2.400000000000001+1-1.000000000000000+1-5.000000000000000-1
|
||||||
|
32-2.400000000000001+1-1.000000000000000+1 0.000000000000000+0
|
||||||
|
33-2.400000000000001+1-1.000000000000000+1 5.000000000000000-1
|
||||||
|
34-2.400000000000000+1-5.000000000000000+0-5.000000000000000-1
|
||||||
|
35-2.400000000000000+1-5.000000000000000+0 0.000000000000000+0
|
||||||
|
36-2.400000000000000+1-5.000000000000000+0 5.000000000000000-1
|
||||||
|
37-2.400000000000001+1 0.000000000000000+0-5.000000000000000-1
|
||||||
|
38-2.400000000000001+1 0.000000000000000+0 0.000000000000000+0
|
||||||
|
39-2.400000000000001+1 0.000000000000000+0 5.000000000000000-1
|
||||||
|
40-2.400000000000001+1 5.000000000000002+0-5.000000000000000-1
|
||||||
|
41-2.400000000000001+1 5.000000000000002+0 0.000000000000000+0
|
||||||
|
42-2.400000000000001+1 5.000000000000002+0 5.000000000000000-1
|
||||||
|
43-2.400000000000001+1 9.999999999999996+0-5.000000000000000-1
|
||||||
|
44-2.400000000000001+1 9.999999999999996+0 0.000000000000000+0
|
||||||
|
45-2.400000000000001+1 9.999999999999996+0 5.000000000000000-1
|
||||||
|
46-1.600000000000000+1-1.000000000000000+1-5.000000000000000-1
|
||||||
|
47-1.600000000000000+1-1.000000000000000+1 0.000000000000000+0
|
||||||
|
48-1.600000000000000+1-1.000000000000000+1 5.000000000000000-1
|
||||||
|
49-1.600000000000000+1-5.000000000000000+0-5.000000000000000-1
|
||||||
|
50-1.600000000000000+1-5.000000000000000+0 0.000000000000000+0
|
||||||
|
51-1.600000000000000+1-5.000000000000000+0 5.000000000000000-1
|
||||||
|
52-1.600000000000000+1 0.000000000000000+0-5.000000000000000-1
|
||||||
|
53-1.600000000000000+1 0.000000000000000+0 0.000000000000000+0
|
||||||
|
54-1.600000000000000+1 0.000000000000000+0 5.000000000000000-1
|
||||||
|
55-1.600000000000000+1 4.999999999999998+0-5.000000000000000-1
|
||||||
|
56-1.600000000000000+1 4.999999999999998+0 0.000000000000000+0
|
||||||
|
57-1.600000000000000+1 4.999999999999998+0 5.000000000000000-1
|
||||||
|
58-1.600000000000000+1 9.999999999999996+0-5.000000000000000-1
|
||||||
|
59-1.600000000000000+1 9.999999999999996+0 0.000000000000000+0
|
||||||
|
60-1.600000000000000+1 9.999999999999996+0 5.000000000000000-1
|
||||||
|
61-8.000000000000000+0-1.000000000000000+1-5.000000000000000-1
|
||||||
|
62-8.000000000000000+0-1.000000000000000+1 0.000000000000000+0
|
||||||
|
63-8.000000000000000+0-1.000000000000000+1 5.000000000000000-1
|
||||||
|
64-7.999999999999994+0-5.000000000000000+0-5.000000000000000-1
|
||||||
|
65-7.999999999999994+0-5.000000000000000+0 0.000000000000000+0
|
||||||
|
66-7.999999999999994+0-5.000000000000000+0 5.000000000000000-1
|
||||||
|
67-8.000000000000000+0 0.000000000000000+0-5.000000000000000-1
|
||||||
|
68-8.000000000000000+0 0.000000000000000+0 0.000000000000000+0
|
||||||
|
69-8.000000000000000+0 0.000000000000000+0 5.000000000000000-1
|
||||||
|
70-8.000000000000000+0 5.000000000000000+0-5.000000000000000-1
|
||||||
|
71-8.000000000000000+0 5.000000000000000+0 0.000000000000000+0
|
||||||
|
72-8.000000000000000+0 5.000000000000000+0 5.000000000000000-1
|
||||||
|
73-8.000000000000000+0 9.999999999999996+0-5.000000000000000-1
|
||||||
|
74-8.000000000000000+0 9.999999999999996+0 0.000000000000000+0
|
||||||
|
75-8.000000000000000+0 9.999999999999996+0 5.000000000000000-1
|
||||||
|
76 0.000000000000000+0-1.000000000000000+1-5.000000000000000-1
|
||||||
|
77 0.000000000000000+0-1.000000000000000+1 0.000000000000000+0
|
||||||
|
78 0.000000000000000+0-1.000000000000000+1 5.000000000000000-1
|
||||||
|
79 0.000000000000000+0-5.000000000000000+0-5.000000000000000-1
|
||||||
|
80 0.000000000000000+0-5.000000000000000+0 0.000000000000000+0
|
||||||
|
81 0.000000000000000+0-5.000000000000000+0 5.000000000000000-1
|
||||||
|
82 0.000000000000000+0 0.000000000000000+0-5.000000000000000-1
|
||||||
|
83 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0
|
||||||
|
84 0.000000000000000+0 0.000000000000000+0 5.000000000000000-1
|
||||||
|
85 0.000000000000000+0 5.000000000000000+0-5.000000000000000-1
|
||||||
|
86 0.000000000000000+0 5.000000000000000+0 0.000000000000000+0
|
||||||
|
87 0.000000000000000+0 5.000000000000000+0 5.000000000000000-1
|
||||||
|
88 0.000000000000000+0 9.999999999999996+0-5.000000000000000-1
|
||||||
|
89 0.000000000000000+0 9.999999999999996+0 0.000000000000000+0
|
||||||
|
90 0.000000000000000+0 9.999999999999996+0 5.000000000000000-1
|
||||||
|
91 8.000000000000000+0-1.000000000000000+1-5.000000000000000-1
|
||||||
|
92 8.000000000000000+0-1.000000000000000+1 0.000000000000000+0
|
||||||
|
93 8.000000000000000+0-1.000000000000000+1 5.000000000000000-1
|
||||||
|
94 8.000000000000000+0-5.000000000000000+0-5.000000000000000-1
|
||||||
|
95 8.000000000000000+0-5.000000000000000+0 0.000000000000000+0
|
||||||
|
96 8.000000000000000+0-5.000000000000000+0 5.000000000000000-1
|
||||||
|
97 8.000000000000000+0 0.000000000000000+0-5.000000000000000-1
|
||||||
|
98 8.000000000000000+0 0.000000000000000+0 0.000000000000000+0
|
||||||
|
99 8.000000000000000+0 0.000000000000000+0 5.000000000000000-1
|
||||||
|
100 8.000000000000000+0 5.000000000000000+0-5.000000000000000-1
|
||||||
|
101 8.000000000000000+0 5.000000000000000+0 0.000000000000000+0
|
||||||
|
102 8.000000000000000+0 5.000000000000000+0 5.000000000000000-1
|
||||||
|
103 7.999999999999994+0 9.999999999999996+0-5.000000000000000-1
|
||||||
|
104 7.999999999999994+0 9.999999999999996+0 0.000000000000000+0
|
||||||
|
105 7.999999999999994+0 9.999999999999996+0 5.000000000000000-1
|
||||||
|
106 1.600000000000000+1-1.000000000000000+1-5.000000000000000-1
|
||||||
|
107 1.600000000000000+1-1.000000000000000+1 0.000000000000000+0
|
||||||
|
108 1.600000000000000+1-1.000000000000000+1 5.000000000000000-1
|
||||||
|
109 1.600000000000000+1-5.000000000000000+0-5.000000000000000-1
|
||||||
|
110 1.600000000000000+1-5.000000000000000+0 0.000000000000000+0
|
||||||
|
111 1.600000000000000+1-5.000000000000000+0 5.000000000000000-1
|
||||||
|
112 1.600000000000000+1 0.000000000000000+0-5.000000000000000-1
|
||||||
|
113 1.600000000000000+1 0.000000000000000+0 0.000000000000000+0
|
||||||
|
114 1.600000000000000+1 0.000000000000000+0 5.000000000000000-1
|
||||||
|
115 1.600000000000000+1 5.000000000000000+0-5.000000000000000-1
|
||||||
|
116 1.600000000000000+1 5.000000000000000+0 0.000000000000000+0
|
||||||
|
117 1.600000000000000+1 5.000000000000000+0 5.000000000000000-1
|
||||||
|
118 1.600000000000000+1 9.999999999999996+0-5.000000000000000-1
|
||||||
|
119 1.600000000000000+1 9.999999999999996+0 0.000000000000000+0
|
||||||
|
120 1.600000000000000+1 9.999999999999996+0 5.000000000000000-1
|
||||||
|
121 2.400000000000000+1-1.000000000000000+1-5.000000000000000-1
|
||||||
|
122 2.400000000000000+1-1.000000000000000+1 0.000000000000000+0
|
||||||
|
123 2.400000000000000+1-1.000000000000000+1 5.000000000000000-1
|
||||||
|
124 2.400000000000001+1-5.000000000000000+0-5.000000000000000-1
|
||||||
|
125 2.400000000000001+1-5.000000000000000+0 0.000000000000000+0
|
||||||
|
126 2.400000000000001+1-5.000000000000000+0 5.000000000000000-1
|
||||||
|
127 2.400000000000000+1 0.000000000000000+0-5.000000000000000-1
|
||||||
|
128 2.400000000000000+1 0.000000000000000+0 0.000000000000000+0
|
||||||
|
129 2.400000000000000+1 0.000000000000000+0 5.000000000000000-1
|
||||||
|
130 2.400000000000001+1 5.000000000000000+0-5.000000000000000-1
|
||||||
|
131 2.400000000000001+1 5.000000000000000+0 0.000000000000000+0
|
||||||
|
132 2.400000000000001+1 5.000000000000000+0 5.000000000000000-1
|
||||||
|
133 2.400000000000000+1 9.999999999999996+0-5.000000000000000-1
|
||||||
|
134 2.400000000000000+1 9.999999999999996+0 0.000000000000000+0
|
||||||
|
135 2.400000000000000+1 9.999999999999996+0 5.000000000000000-1
|
||||||
|
136 3.200000000000000+1-1.000000000000000+1-5.000000000000000-1
|
||||||
|
137 3.200000000000000+1-1.000000000000000+1 0.000000000000000+0
|
||||||
|
138 3.200000000000000+1-1.000000000000000+1 5.000000000000000-1
|
||||||
|
139 3.199999999999999+1-5.000000000000000+0-5.000000000000000-1
|
||||||
|
140 3.199999999999999+1-5.000000000000000+0 0.000000000000000+0
|
||||||
|
141 3.199999999999999+1-5.000000000000000+0 5.000000000000000-1
|
||||||
|
142 3.200000000000000+1 0.000000000000000+0-5.000000000000000-1
|
||||||
|
143 3.200000000000000+1 0.000000000000000+0 0.000000000000000+0
|
||||||
|
144 3.200000000000000+1 0.000000000000000+0 5.000000000000000-1
|
||||||
|
145 3.200000000000000+1 5.000000000000000+0-5.000000000000000-1
|
||||||
|
146 3.200000000000000+1 5.000000000000000+0 0.000000000000000+0
|
||||||
|
147 3.200000000000000+1 5.000000000000000+0 5.000000000000000-1
|
||||||
|
148 3.199999999999999+1 9.999999999999996+0-5.000000000000000-1
|
||||||
|
149 3.199999999999999+1 9.999999999999996+0 0.000000000000000+0
|
||||||
|
150 3.199999999999999+1 9.999999999999996+0 5.000000000000000-1
|
||||||
|
151 3.999999999999999+1-1.000000000000000+1-5.000000000000000-1
|
||||||
|
152 3.999999999999999+1-1.000000000000000+1 0.000000000000000+0
|
||||||
|
153 3.999999999999999+1-1.000000000000000+1 5.000000000000000-1
|
||||||
|
154 3.999999999999999+1-5.000000000000000+0-5.000000000000000-1
|
||||||
|
155 3.999999999999999+1-5.000000000000000+0 0.000000000000000+0
|
||||||
|
156 3.999999999999999+1-5.000000000000000+0 5.000000000000000-1
|
||||||
|
157 3.999999999999999+1 0.000000000000000+0-5.000000000000000-1
|
||||||
|
158 3.999999999999999+1 0.000000000000000+0 0.000000000000000+0
|
||||||
|
159 3.999999999999999+1 0.000000000000000+0 5.000000000000000-1
|
||||||
|
160 3.999999999999999+1 5.000000000000000+0-5.000000000000000-1
|
||||||
|
161 3.999999999999999+1 5.000000000000000+0 0.000000000000000+0
|
||||||
|
162 3.999999999999999+1 5.000000000000000+0 5.000000000000000-1
|
||||||
|
163 3.999999999999999+1 9.999999999999996+0-5.000000000000000-1
|
||||||
|
164 3.999999999999999+1 9.999999999999996+0 0.000000000000000+0
|
||||||
|
165 3.999999999999999+1 9.999999999999996+0 5.000000000000000-1
|
||||||
|
define element set Material_Nummer_elements
|
||||||
|
1 to 80
|
||||||
|
define node set unten_y_nodes
|
||||||
|
2 5 8 11 14
|
||||||
|
define node set oben_y_nodes
|
||||||
|
152 155 158 161 164
|
||||||
|
define node set unten_fest_nodes
|
||||||
|
1 to 15
|
||||||
|
define node set oben_ziehen_nodes
|
||||||
|
151 to 165
|
||||||
|
define node set unten_z_nodes
|
||||||
|
7 to 9
|
||||||
|
define node set oben_z_nodes
|
||||||
|
157 to 159
|
||||||
|
define element set texture_elements
|
||||||
|
1 to 80
|
||||||
|
hypoelastic
|
||||||
|
|
||||||
|
1 0 1 0 1TKS 0
|
||||||
|
1.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0
|
||||||
|
0 0 0 0 0 0 0
|
||||||
|
|
||||||
|
mat color
|
||||||
|
|
||||||
|
1 1 230 0 0
|
||||||
|
table weg_x
|
||||||
|
1 1 0 0 2
|
||||||
|
1 2 2 0 0 2 0 0 2 0 0 2
|
||||||
|
0.000000000000000+0 0.000000000000000+0
|
||||||
|
2.000000000000000+2 1.600000000000000+1
|
||||||
|
geometry
|
||||||
|
0 0 2
|
||||||
|
1 9 1 230 0 0
|
||||||
|
r-value-sample
|
||||||
|
0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0
|
||||||
|
|
||||||
|
usdata 1
|
||||||
|
fixed disp
|
||||||
|
|
||||||
|
1 0 0 0 1 0unten_z
|
||||||
|
0.000000000000000+0 0.000000000000000+0
|
||||||
|
0 0
|
||||||
|
1 2
|
||||||
|
2
|
||||||
|
unten_z_nodes
|
||||||
|
1 0 0 0 1 0unten_y
|
||||||
|
0.000000000000000+0 0.000000000000000+0
|
||||||
|
0 0
|
||||||
|
1 3
|
||||||
|
2
|
||||||
|
unten_y_nodes
|
||||||
|
1 0 0 0 1 0oben_z
|
||||||
|
1.000000000000000+0 0.000000000000000+0
|
||||||
|
1 0
|
||||||
|
1 2
|
||||||
|
2
|
||||||
|
oben_z_nodes
|
||||||
|
1 0 0 0 1 0oben_y
|
||||||
|
1.000000000000000+0 0.000000000000000+0
|
||||||
|
1 0
|
||||||
|
1 3
|
||||||
|
2
|
||||||
|
oben_y_nodes
|
||||||
|
1 0 0 0 1 0unten_fest
|
||||||
|
0.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
2
|
||||||
|
unten_fest_nodes
|
||||||
|
1 0 0 0 1 0oben_ziehen
|
||||||
|
1.000000000000000+0
|
||||||
|
1
|
||||||
|
1
|
||||||
|
2
|
||||||
|
oben_ziehen_nodes
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0Material_Nummer
|
||||||
|
1.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
Material_Nummer_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
3 6 1 0 0 0texture
|
||||||
|
1.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
texture_elements
|
||||||
|
loadcase r-value
|
||||||
|
5
|
||||||
|
Material_Nummer
|
||||||
|
texture
|
||||||
|
unten_z
|
||||||
|
unten_y
|
||||||
|
unten_fest
|
||||||
|
no print
|
||||||
|
post
|
||||||
|
6 16 17 0 0 19 20 0 1 0 0 0 0 0 0 0
|
||||||
|
parameters
|
||||||
|
1.000000000000000+0 1.000000000000000+9 1.000000000000000+2 1.000000000000000+6 2.500000000000000-1 5.000000000000000-1 1.500000000000000+0-5.000000000000000-1
|
||||||
|
8.625000000000000+0 2.000000000000000+1 1.000000000000000-4 1.000000000000000-6 1.000000000000000+0 1.000000000000000-4
|
||||||
|
8.314000000000000+0 2.731500000000000+2 5.000000000000000-1 0.000000000000000+0 5.670510000000000-8 1.438769000000000-2 2.997900000000000+8 1.00000000000000+30
|
||||||
|
0.000000000000000+0 0.000000000000000+0 1.000000000000000+2 0.000000000000000+0 1.000000000000000+0-2.000000000000000+0 1.000000000000000+6 3.000000000000000+0
|
||||||
|
0.000000000000000+0 0.000000000000000+0 1.256637061000000-6 8.85418781700000-12 1.200000000000000+2 1.000000000000000-3 1.600000000000000+2 0.000000000000000+0
|
||||||
|
3.000000000000000+0 4.000000000000000-1
|
||||||
|
end option
|
||||||
|
$...................
|
||||||
|
$....start of loadcase Tensile
|
||||||
|
title Tensile
|
||||||
|
loadcase Tensile
|
||||||
|
6
|
||||||
|
unten_z
|
||||||
|
unten_y
|
||||||
|
oben_z
|
||||||
|
oben_y
|
||||||
|
unten_fest
|
||||||
|
oben_ziehen
|
||||||
|
control
|
||||||
|
99999 10 0 0 0 1 0 0 1 0 0 0 0 0 0
|
||||||
|
1.000000000000000-1 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0-1.000000000000000+0 0.000000000000000+0
|
||||||
|
parameters
|
||||||
|
1.000000000000000+0 1.000000000000000+9 1.000000000000000+2 1.000000000000000+6 2.500000000000000-1 5.000000000000000-1 1.500000000000000+0-5.000000000000000-1
|
||||||
|
8.625000000000000+0 2.000000000000000+1 1.000000000000000-4 1.000000000000000-6 1.000000000000000+0 1.000000000000000-4
|
||||||
|
8.314000000000000+0 2.731500000000000+2 5.000000000000000-1 0.000000000000000+0 5.670510000000000-8 1.438769000000000-2 2.997900000000000+8 1.00000000000000+30
|
||||||
|
0.000000000000000+0 0.000000000000000+0 1.000000000000000+2 0.000000000000000+0 1.000000000000000+0-1.000000000000000+0 1.000000000000000+6 3.000000000000000+0
|
||||||
|
0.000000000000000+0 0.000000000000000+0 1.256637061000000-6 8.85418781700000-12 1.200000000000000+2 1.000000000000000-3 1.600000000000000+2 0.000000000000000+0
|
||||||
|
3.000000000000000+0 4.000000000000000-1
|
||||||
|
auto load
|
||||||
|
100 0 10 0 0
|
||||||
|
time step
|
||||||
|
2.000000000000000+0
|
||||||
|
continue
|
||||||
|
$....end of loadcase Tensile
|
||||||
|
$...................
|
||||||
|
|
@ -1,7 +0,0 @@
|
||||||
elasticity hooke
|
|
||||||
|
|
||||||
c11 160.0e9
|
|
||||||
c12 90.0e9
|
|
||||||
c13 66.0e9
|
|
||||||
c33 181.7e9
|
|
||||||
c44 46.5e9
|
|
||||||
|
|
@ -1,11 +0,0 @@
|
||||||
elasticity hooke
|
|
||||||
|
|
||||||
c11 100.0e9
|
|
||||||
c22 100.0e9
|
|
||||||
c33 100.0e9
|
|
||||||
c12 0.0e9
|
|
||||||
c13 0.0e9
|
|
||||||
c23 0.0e9
|
|
||||||
c44 50.0e9
|
|
||||||
c55 50.0e9
|
|
||||||
c66 50.0e9
|
|
||||||
|
|
@ -1,4 +0,0 @@
|
||||||
elasticity hooke
|
|
||||||
|
|
||||||
c11 100.0e9
|
|
||||||
c12 0.0e9
|
|
||||||
|
|
@ -1,3 +0,0 @@
|
||||||
reference_temperature 300.0
|
|
||||||
specific_heat 1
|
|
||||||
mass_density 1
|
|
||||||
|
|
@ -1,8 +0,0 @@
|
||||||
(kinematics) thermal_expansion
|
|
||||||
thermal_expansion11 9.5e-6
|
|
||||||
thermal_expansion22 9.5e-6
|
|
||||||
thermal_expansion33 5.6e-6
|
|
||||||
|
|
||||||
(source) thermal_externalheat
|
|
||||||
externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
|
|
||||||
externalheat_rate 1 1 -1 -1
|
|
||||||
|
|
@ -1,9 +0,0 @@
|
||||||
(kinematics) thermal_expansion
|
|
||||||
thermal_expansion11 5e-6
|
|
||||||
thermal_expansion22 10e-6
|
|
||||||
thermal_expansion33 20e-6
|
|
||||||
lattice_structure orthorhombic
|
|
||||||
|
|
||||||
(source) thermal_externalheat
|
|
||||||
externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
|
|
||||||
externalheat_rate 1 1 -1 -1
|
|
||||||
|
|
@ -1,6 +0,0 @@
|
||||||
(kinematics) thermal_expansion
|
|
||||||
thermal_expansion11 10e-6
|
|
||||||
|
|
||||||
(source) thermal_externalheat
|
|
||||||
externalheat_time 0 500 500.001 1000 # 500 secs supplying 1 Watt, then removing 1 Watt
|
|
||||||
externalheat_rate 1 1 -1 -1
|
|
||||||
|
|
@ -1,427 +0,0 @@
|
||||||
9 header
|
|
||||||
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
|
||||||
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
|
||||||
geom_translate v2.0.1-1073-gc544fa1 -s 1,2,2,6 Ti_Ti.geom
|
|
||||||
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
|
||||||
grid a 32 b 32 c 32
|
|
||||||
size x 0.5 y 0.5 z 0.5
|
|
||||||
origin x 0.25 y 0.25 z 0.25
|
|
||||||
homogenization 1
|
|
||||||
microstructures 2
|
|
||||||
8623 of 2
|
|
||||||
2 of 6
|
|
||||||
29 of 2
|
|
||||||
4 of 6
|
|
||||||
27 of 2
|
|
||||||
6 of 6
|
|
||||||
26 of 2
|
|
||||||
6 of 6
|
|
||||||
27 of 2
|
|
||||||
4 of 6
|
|
||||||
29 of 2
|
|
||||||
2 of 6
|
|
||||||
798 of 2
|
|
||||||
2 of 6
|
|
||||||
28 of 2
|
|
||||||
6 of 6
|
|
||||||
25 of 2
|
|
||||||
8 of 6
|
|
||||||
24 of 2
|
|
||||||
8 of 6
|
|
||||||
23 of 2
|
|
||||||
10 of 6
|
|
||||||
22 of 2
|
|
||||||
10 of 6
|
|
||||||
23 of 2
|
|
||||||
8 of 6
|
|
||||||
24 of 2
|
|
||||||
8 of 6
|
|
||||||
25 of 2
|
|
||||||
6 of 6
|
|
||||||
28 of 2
|
|
||||||
2 of 6
|
|
||||||
701 of 2
|
|
||||||
4 of 6
|
|
||||||
26 of 2
|
|
||||||
8 of 6
|
|
||||||
23 of 2
|
|
||||||
10 of 6
|
|
||||||
22 of 2
|
|
||||||
10 of 6
|
|
||||||
21 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
21 of 2
|
|
||||||
10 of 6
|
|
||||||
22 of 2
|
|
||||||
10 of 6
|
|
||||||
23 of 2
|
|
||||||
8 of 6
|
|
||||||
26 of 2
|
|
||||||
4 of 6
|
|
||||||
637 of 2
|
|
||||||
2 of 6
|
|
||||||
27 of 2
|
|
||||||
8 of 6
|
|
||||||
23 of 2
|
|
||||||
10 of 6
|
|
||||||
21 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
19 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
19 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
21 of 2
|
|
||||||
10 of 6
|
|
||||||
23 of 2
|
|
||||||
8 of 6
|
|
||||||
27 of 2
|
|
||||||
2 of 6
|
|
||||||
604 of 2
|
|
||||||
6 of 6
|
|
||||||
24 of 2
|
|
||||||
10 of 6
|
|
||||||
21 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
19 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
19 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
21 of 2
|
|
||||||
10 of 6
|
|
||||||
24 of 2
|
|
||||||
6 of 6
|
|
||||||
572 of 2
|
|
||||||
2 of 6
|
|
||||||
27 of 2
|
|
||||||
8 of 6
|
|
||||||
23 of 2
|
|
||||||
10 of 6
|
|
||||||
21 of 2
|
|
||||||
12 of 6
|
|
||||||
19 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
17 of 2
|
|
||||||
16 of 6
|
|
||||||
16 of 2
|
|
||||||
16 of 6
|
|
||||||
17 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
19 of 2
|
|
||||||
12 of 6
|
|
||||||
21 of 2
|
|
||||||
10 of 6
|
|
||||||
23 of 2
|
|
||||||
8 of 6
|
|
||||||
27 of 2
|
|
||||||
2 of 6
|
|
||||||
541 of 2
|
|
||||||
4 of 6
|
|
||||||
26 of 2
|
|
||||||
8 of 6
|
|
||||||
22 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
19 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
17 of 2
|
|
||||||
16 of 6
|
|
||||||
16 of 2
|
|
||||||
16 of 6
|
|
||||||
16 of 2
|
|
||||||
16 of 6
|
|
||||||
16 of 2
|
|
||||||
16 of 6
|
|
||||||
17 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
19 of 2
|
|
||||||
12 of 6
|
|
||||||
20 of 2
|
|
||||||
12 of 6
|
|
||||||
22 of 2
|
|
||||||
8 of 6
|
|
||||||
26 of 2
|
|
||||||
4 of 6
|
|
||||||
539 of 2
|
|
||||||
6 of 6
|
|
||||||
24 of 2
|
|
||||||
10 of 6
|
|
||||||
21 of 2
|
|
||||||
12 of 6
|
|
||||||
19 of 2
|
|
||||||
14 of 6
|
|
||||||
18 of 2
|
|
||||||
14 of 6
|
|
||||||
17 of 2
|
|
||||||
16 of 6
|
|
||||||
16 of 2
|
|
||||||
16 of 6
|
|
||||||
16 of 2
|
|
||||||
16 of 6
|
|
||||||
16 of 2
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8623 of 2
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@ -1,427 +0,0 @@
|
||||||
9 header
|
|
||||||
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
|
||||||
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
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|
||||||
geom_translate v2.0.1-1073-gc544fa1 -s 2,4 isotropic_anisotropic.geom
|
|
||||||
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
|
||||||
grid a 32 b 32 c 32
|
|
||||||
size x 0.5 y 0.5 z 0.5
|
|
||||||
origin x 0.25 y 0.25 z 0.25
|
|
||||||
homogenization 1
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|
||||||
microstructures 2
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|
@ -1,427 +0,0 @@
|
||||||
9 header
|
|
||||||
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
|
||||||
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
|
||||||
geom_translate v2.0.1-1073-gc544fa1 -s 2,3 isotropic_isotropic.geom
|
|
||||||
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
|
||||||
grid a 32 b 32 c 32
|
|
||||||
size x 0.5 y 0.5 z 0.5
|
|
||||||
origin x 0.25 y 0.25 z 0.25
|
|
||||||
homogenization 1
|
|
||||||
microstructures 2
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||||||
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@ -1,427 +0,0 @@
|
||||||
9 header
|
|
||||||
geom_addPrimitive v2.0.1-1073-gc544fa1 -c 32 32 32 -d -16 -16 -16 inclusion.geom
|
|
||||||
geom_canvas v2.0.1-1073-gc544fa1 -o 16 16 16 -g 32 32 32
|
|
||||||
geom_translate v2.0.1-1073-gc544fa1 -s 2,5 isotropic_rotated.geom
|
|
||||||
geom_pack v2.0.1-1073-gc544fa1 Ti_Ti.geom isotropic_anisotropic.geom isotropic_isotropic.geom isotropic_rotated.geom
|
|
||||||
grid a 32 b 32 c 32
|
|
||||||
size x 0.5 y 0.5 z 0.5
|
|
||||||
origin x 0.25 y 0.25 z 0.25
|
|
||||||
homogenization 1
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|
||||||
microstructures 2
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|
|
||||||
6 of 5
|
|
||||||
27 of 1
|
|
||||||
4 of 5
|
|
||||||
29 of 1
|
|
||||||
2 of 5
|
|
||||||
8623 of 1
|
|
||||||
|
|
@ -1,122 +0,0 @@
|
||||||
#-------------------#
|
|
||||||
<homogenization>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
[direct]
|
|
||||||
mech none
|
|
||||||
|
|
||||||
thermal adiabatic
|
|
||||||
t0 330.0
|
|
||||||
(output) temperature
|
|
||||||
|
|
||||||
#-------------------#
|
|
||||||
<phase>
|
|
||||||
#-------------------#
|
|
||||||
|
|
||||||
#.................
|
|
||||||
[isotropic matrix]
|
|
||||||
|
|
||||||
lattice_structure iso
|
|
||||||
plasticity none
|
|
||||||
{config/elastic_isotropic.config}
|
|
||||||
{config/thermal.config}
|
|
||||||
|
|
||||||
(output) f
|
|
||||||
(output) p
|
|
||||||
(output) fe
|
|
||||||
(output) fi
|
|
||||||
(output) fp
|
|
||||||
|
|
||||||
#.................
|
|
||||||
[Ti matrix]
|
|
||||||
|
|
||||||
lattice_structure hex
|
|
||||||
c/a 1.587
|
|
||||||
plasticity none
|
|
||||||
{config/elastic_Ti.config}
|
|
||||||
{config/thermal.config}
|
|
||||||
|
|
||||||
(output) f
|
|
||||||
(output) p
|
|
||||||
(output) fe
|
|
||||||
(output) fi
|
|
||||||
(output) fp
|
|
||||||
|
|
||||||
#.................
|
|
||||||
[isotropic inclusion]
|
|
||||||
|
|
||||||
lattice_structure iso
|
|
||||||
plasticity none
|
|
||||||
{config/elastic_isotropic.config}
|
|
||||||
{config/thermal.config}
|
|
||||||
{config/thermalExpansion_isotropic.config}
|
|
||||||
|
|
||||||
(output) f
|
|
||||||
(output) p
|
|
||||||
(output) fe
|
|
||||||
(output) fi
|
|
||||||
(output) fp
|
|
||||||
|
|
||||||
#.................
|
|
||||||
[anisotropic inclusion]
|
|
||||||
|
|
||||||
lattice_structure orthorhombic
|
|
||||||
plasticity none
|
|
||||||
{config/elastic_fullyAnisotropic.config}
|
|
||||||
{config/thermal.config}
|
|
||||||
{config/thermalExpansion_fullyAnisotropic.config}
|
|
||||||
|
|
||||||
(output) f
|
|
||||||
(output) p
|
|
||||||
(output) fe
|
|
||||||
(output) fi
|
|
||||||
(output) fp
|
|
||||||
|
|
||||||
#.................
|
|
||||||
[Ti inclusion]
|
|
||||||
|
|
||||||
lattice_structure hex
|
|
||||||
c/a 1.587
|
|
||||||
plasticity none
|
|
||||||
{config/elastic_Ti.config}
|
|
||||||
{config/thermal.config}
|
|
||||||
{config/thermalExpansion_Ti.config}
|
|
||||||
|
|
||||||
(output) f
|
|
||||||
(output) p
|
|
||||||
(output) fe
|
|
||||||
(output) fi
|
|
||||||
(output) fp
|
|
||||||
|
|
||||||
#--------------------------#
|
|
||||||
<microstructure>
|
|
||||||
#--------------------------#
|
|
||||||
|
|
||||||
[isotropic matrix]
|
|
||||||
(constituent) phase 1 texture 1 fraction 1.0
|
|
||||||
|
|
||||||
[Ti matrix]
|
|
||||||
(constituent) phase 2 texture 1 fraction 1.0
|
|
||||||
|
|
||||||
[isotropic inclusion]
|
|
||||||
(constituent) phase 3 texture 1 fraction 1.0
|
|
||||||
|
|
||||||
[anisotropic inclusion]
|
|
||||||
(constituent) phase 4 texture 1 fraction 1.0
|
|
||||||
|
|
||||||
[rotated inclusion]
|
|
||||||
(constituent) phase 4 texture 2 fraction 1.0
|
|
||||||
|
|
||||||
[Ti inclusion]
|
|
||||||
(constituent) phase 5 texture 1 fraction 1.0
|
|
||||||
|
|
||||||
#--------------------------#
|
|
||||||
<texture>
|
|
||||||
#--------------------------#
|
|
||||||
|
|
||||||
[cube]
|
|
||||||
(gauss) phi1 0.0 Phi 0.0 phi2 0.0
|
|
||||||
|
|
||||||
[rotated]
|
|
||||||
(gauss) phi1 0.0 Phi 45.0 phi2 0.0
|
|
||||||
|
|
||||||
|
|
@ -1,5 +0,0 @@
|
||||||
#spectralsolver polarisation
|
|
||||||
spectralderivative fwbw_difference
|
|
||||||
err_div_tolrel 1e-3
|
|
||||||
itmin 2
|
|
||||||
petsc_options -mech_snes_type anderson -mech_snes_anderson_beta 1.0 -mech_snes_anderson_restart 10 -thermal_snes_type anderson -thermal_snes_anderson_beta 1.0
|
|
||||||
|
|
@ -1 +0,0 @@
|
||||||
Fdot 0 0 0 0 0 0 0 0 0 stress * * * * * * * * * time 1000 incs 10
|
|
||||||
|
|
@ -1,6 +1,4 @@
|
||||||
[Aluminum]
|
[Aluminum]
|
||||||
|
|
||||||
elasticity hooke
|
|
||||||
plasticity nonlocal
|
plasticity nonlocal
|
||||||
/nonlocal/
|
/nonlocal/
|
||||||
|
|
||||||
|
|
@ -25,10 +23,6 @@ plasticity nonlocal
|
||||||
lattice_structure fcc
|
lattice_structure fcc
|
||||||
Nslip 12 # number of slip systems
|
Nslip 12 # number of slip systems
|
||||||
|
|
||||||
c11 106.75e9 # elastic constants
|
|
||||||
c12 60.41e9
|
|
||||||
c44 28.34e9
|
|
||||||
|
|
||||||
burgers 2.86e-10 # Burgers vector in m
|
burgers 2.86e-10 # Burgers vector in m
|
||||||
rhoSglEdgePos0 0.25e10 # Initial positive edge single dislocation density in m/m**3 (per slip family)
|
rhoSglEdgePos0 0.25e10 # Initial positive edge single dislocation density in m/m**3 (per slip family)
|
||||||
rhoSglEdgeNeg0 0.25e10 # Initial negative edge single dislocation density in m/m**3 (per slip family)
|
rhoSglEdgeNeg0 0.25e10 # Initial negative edge single dislocation density in m/m**3 (per slip family)
|
||||||
|
|
@ -24,9 +24,6 @@ plasticity nonlocal
|
||||||
|
|
||||||
lattice_structure fcc
|
lattice_structure fcc
|
||||||
Nslip 12 # number of slip systems per family
|
Nslip 12 # number of slip systems per family
|
||||||
c11 246.5e9
|
|
||||||
c12 147.3e9
|
|
||||||
c44 124.7e9
|
|
||||||
burgers 2.48e-10 # Burgers vector in m
|
burgers 2.48e-10 # Burgers vector in m
|
||||||
rhoSglEdgePos0 6e10 # Initial positive edge single dislocation density in m/m**3
|
rhoSglEdgePos0 6e10 # Initial positive edge single dislocation density in m/m**3
|
||||||
rhoSglEdgeNeg0 6e10 # Initial negative edge single dislocation density in m/m**3
|
rhoSglEdgeNeg0 6e10 # Initial negative edge single dislocation density in m/m**3
|
||||||
|
|
@ -25,4 +25,4 @@ Magnesium:
|
||||||
dot_gamma_0_tw: 0.001
|
dot_gamma_0_tw: 0.001
|
||||||
n_sl: 20
|
n_sl: 20
|
||||||
n_tw: 20
|
n_tw: 20
|
||||||
f_sl_sat_tw: 10.0
|
f_sat_sl_tw: 10.0
|
||||||
|
|
@ -0,0 +1,12 @@
|
||||||
|
phase: [basic, extensive, selective]
|
||||||
|
CPFEM: [basic, extensive, selective]
|
||||||
|
|
||||||
|
# options for selective debugging
|
||||||
|
element: 1
|
||||||
|
integrationpoint: 1
|
||||||
|
constituent: 1
|
||||||
|
|
||||||
|
# solver-specific
|
||||||
|
mesh: [PETSc]
|
||||||
|
grid: [basic, rotation, PETSc]
|
||||||
|
Marc: [basic]
|
||||||
|
|
@ -0,0 +1,10 @@
|
||||||
|
8Grains:
|
||||||
|
N_constituents: 8
|
||||||
|
mechanical:
|
||||||
|
type: RGC
|
||||||
|
D_alpha: [4.0e-06, 4.0e-06, 2.0e-06]
|
||||||
|
a_g: [0.0, 0.0, 0.0]
|
||||||
|
c_alpha: 2.0
|
||||||
|
cluster_size: [2, 2, 2]
|
||||||
|
output: [M, Delta_V, avg_a_dot, max_a_dot]
|
||||||
|
xi_alpha: 10.0
|
||||||
|
|
@ -0,0 +1,3 @@
|
||||||
|
Taylor2:
|
||||||
|
N_constituents: 2
|
||||||
|
mechanical: {type: isostrain}
|
||||||
|
|
@ -42,12 +42,10 @@ grid:
|
||||||
fftw_plan_mode: FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
|
fftw_plan_mode: FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag
|
||||||
maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
|
maxCutBack: 3 # maximum cut back level (0: 1, 1: 0.5, 2: 0.25, etc)
|
||||||
maxStaggeredIter: 10 # max number of field level staggered iterations
|
maxStaggeredIter: 10 # max number of field level staggered iterations
|
||||||
|
|
||||||
memory_efficient: 1 # Precalculate Gamma-operator (81 double per point)
|
memory_efficient: 1 # Precalculate Gamma-operator (81 double per point)
|
||||||
update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
|
update_gamma: false # Update Gamma-operator with current dPdF (not possible if memory_efficient=1)
|
||||||
divergence_correction: 2 # Use size-independent divergence criterion
|
divergence_correction: 2 # Use size-independent divergence criterion
|
||||||
derivative: continuous # Approximation used for derivatives in Fourier space
|
derivative: continuous # Approximation used for derivatives in Fourier space
|
||||||
solver: Basic # Type of spectral solver (BasicPETSc/Polarisation/FEM)
|
|
||||||
petsc_options: -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
|
petsc_options: -snes_type ngmres -snes_ngmres_anderson # PetSc solver options
|
||||||
alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
|
alpha: 1.0 # polarization scheme parameter 0.0 < alpha < 2.0. alpha = 1.0 ==> AL scheme, alpha = 2.0 ==> accelerated scheme
|
||||||
beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
|
beta: 1.0 # polarization scheme parameter 0.0 < beta < 2.0. beta = 1.0 ==> AL scheme, beta = 2.0 ==> accelerated scheme
|
||||||
|
|
@ -0,0 +1,4 @@
|
||||||
|
lattice: cF
|
||||||
|
rho: 2700
|
||||||
|
references:
|
||||||
|
- en.wikipedia.org/wiki/Aluminium
|
||||||
|
|
@ -0,0 +1,4 @@
|
||||||
|
lattice: cI
|
||||||
|
rho: 7874
|
||||||
|
references:
|
||||||
|
- en.wikipedia.org/wiki/Iron
|
||||||
|
|
@ -0,0 +1,4 @@
|
||||||
|
lattice: cF
|
||||||
|
rho: 8908
|
||||||
|
references:
|
||||||
|
- en.wikipedia.org/wiki/Nickel
|
||||||
|
|
@ -0,0 +1,2 @@
|
||||||
|
lattice: hP
|
||||||
|
c/a: 1.587
|
||||||
|
|
@ -0,0 +1 @@
|
||||||
|
lattice: cI
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
N_cl: [3]
|
||||||
|
dot_o: 1e-3
|
||||||
|
g_crit: [0.50e7]
|
||||||
|
q: 20
|
||||||
|
s_crit: [0.006666]
|
||||||
|
type: anisobrittle
|
||||||
|
D_11: 1.0
|
||||||
|
M: 0.001
|
||||||
|
|
@ -0,0 +1 @@
|
||||||
|
lattice: cF
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
type: Hooke
|
||||||
|
references:
|
||||||
|
- J. Vallin et al.,
|
||||||
|
Journal of Applied Physics 35(6), 1825-1826, 1964,
|
||||||
|
10.1063/1.1713749
|
||||||
|
C_11: 107.3e9
|
||||||
|
C_12: 60.8e9
|
||||||
|
C_44: 28.3e9
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
type: Hooke
|
||||||
|
references:
|
||||||
|
- J.P. Hirth and J. Lothe,
|
||||||
|
Theory of Dislocations, 1982,
|
||||||
|
John Wiley & Sons
|
||||||
|
C_11: 186e9
|
||||||
|
C_12: 157e9
|
||||||
|
C_44: 42e9
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
type: Hooke
|
||||||
|
references:
|
||||||
|
- J.P. Hirth and J. Lothe,
|
||||||
|
Theory of Dislocations, 1982,
|
||||||
|
John Wiley & Sons
|
||||||
|
C_11: 242e9
|
||||||
|
C_12: 146.5e9
|
||||||
|
C_44: 11.2e9
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
type: Hooke
|
||||||
|
references:
|
||||||
|
- J.P. Hirth and J. Lothe,
|
||||||
|
Theory of Dislocations, 1982,
|
||||||
|
John Wiley & Sons
|
||||||
|
C_11: 246.5e9
|
||||||
|
C_12: 147.3e9
|
||||||
|
C_44: 124.7e9
|
||||||
|
|
@ -0,0 +1,10 @@
|
||||||
|
type: Hooke
|
||||||
|
references:
|
||||||
|
- L. Wang et al.,
|
||||||
|
Acta Materialia 132, 598-610, 2017,
|
||||||
|
10.1016/j.actamat.2017.05.015
|
||||||
|
C_11: 162.4e9
|
||||||
|
C_33: 181.6e9
|
||||||
|
C_44: 47.2e9
|
||||||
|
C_12: 92e9
|
||||||
|
C_13: 69e9
|
||||||
|
|
@ -0,0 +1,24 @@
|
||||||
|
type: dislotwin
|
||||||
|
references:
|
||||||
|
- K. Sedighiani et al.,
|
||||||
|
International Journal of Plasticity, 134, 102779, 2020
|
||||||
|
10.1016/j.ijplas.2020.102779
|
||||||
|
- K. Sedighiani et al.,
|
||||||
|
Mechanics of Materials, submitted
|
||||||
|
output: [rho_dip, rho_mob]
|
||||||
|
N_sl: [12, 12]
|
||||||
|
b_sl: [2.49e-10, 2.49e-10]
|
||||||
|
rho_mob_0: [2.81e12, 2.8e12]
|
||||||
|
rho_dip_0: [1.0, 1.0] # not given
|
||||||
|
v_0: [1.4e3, 1.4e3]
|
||||||
|
Q_s: [1.57e-19, 1.57e-19] # Delta_F
|
||||||
|
tau_0: [454e6, 454e6]
|
||||||
|
p_sl: [0.325, 0.325]
|
||||||
|
q_sl: [1.55, 1.55]
|
||||||
|
i_sl: [23.3, 23.3]
|
||||||
|
D_a: 7.4 # C_anni
|
||||||
|
B: [0.001, 0.001]
|
||||||
|
h_sl_sl: [0.1, 0.1, 0.72, 0.053, 0.137, 0.073]
|
||||||
|
D_0: 4.000E-05
|
||||||
|
Q_cl: 5.400E-19 # no recovery!
|
||||||
|
D: 40e-6 # estimated
|
||||||
|
|
@ -0,0 +1,14 @@
|
||||||
|
# parameters fitted by D. Ma to:
|
||||||
|
# On the mathematical description of the tensile stress-strain curves of polycrystalline face centered cubic metals
|
||||||
|
# International Journal of Plasticity, Volume 12, Issue 1, 1996, Pages 35-43
|
||||||
|
# DOI: 10.1016/S0749-6419(95)00043-7
|
||||||
|
type: phenopowerlaw
|
||||||
|
output: [xi_sl]
|
||||||
|
N_sl: [12]
|
||||||
|
n_sl: 83
|
||||||
|
dot_gamma_0_sl: 0.001
|
||||||
|
h_0_sl_sl: 75e6
|
||||||
|
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
||||||
|
a_sl: 1.0
|
||||||
|
xi_0_sl: [26e6]
|
||||||
|
xi_inf_sl: [53e6]
|
||||||
|
|
@ -0,0 +1,4 @@
|
||||||
|
c_p: 1
|
||||||
|
K_11: 0
|
||||||
|
K_22: 0
|
||||||
|
K_33: 0
|
||||||
|
|
@ -0,0 +1,4 @@
|
||||||
|
c_p: 1
|
||||||
|
K_11: 1e30
|
||||||
|
K_22: 1e30
|
||||||
|
K_33: 1e30
|
||||||
|
|
@ -0,0 +1,2 @@
|
||||||
|
type: dissipation
|
||||||
|
kappa: .9
|
||||||
|
|
@ -0,0 +1,3 @@
|
||||||
|
type: externalheat
|
||||||
|
f_T: [1, 1, 0, 0]
|
||||||
|
t_n: [0, 500, 500.001, 1000]
|
||||||
|
|
@ -1,6 +1,3 @@
|
||||||
3 header
|
|
||||||
grid a 16 b 16 c 16
|
|
||||||
random seed 0
|
|
||||||
1_pos 2_pos 3_pos 1_euler 2_euler 3_euler
|
1_pos 2_pos 3_pos 1_euler 2_euler 3_euler
|
||||||
0.375488 0.161813 0.891040 197.572861 16.816409 129.422844
|
0.375488 0.161813 0.891040 197.572861 16.816409 129.422844
|
||||||
0.187988 0.849313 0.953540 257.468172 53.250534 157.331503
|
0.187988 0.849313 0.953540 257.468172 53.250534 157.331503
|
||||||
|
|
|
||||||
|
|
@ -4,6 +4,25 @@ homogenization:
|
||||||
N_constituents: 1
|
N_constituents: 1
|
||||||
mechanical: {type: pass}
|
mechanical: {type: pass}
|
||||||
|
|
||||||
|
phase:
|
||||||
|
Aluminum:
|
||||||
|
lattice: cF
|
||||||
|
mechanical:
|
||||||
|
output: [F, P, F_e, F_p, L_p, O]
|
||||||
|
elastic: {type: Hooke, C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9}
|
||||||
|
plastic:
|
||||||
|
type: phenopowerlaw
|
||||||
|
N_sl: [12]
|
||||||
|
a_sl: 2.25
|
||||||
|
atol_xi: 1.0
|
||||||
|
dot_gamma_0_sl: 0.001
|
||||||
|
h_0_sl_sl: 75e6
|
||||||
|
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
||||||
|
n_sl: 20
|
||||||
|
output: [xi_sl]
|
||||||
|
xi_0_sl: [31e6]
|
||||||
|
xi_inf_sl: [63e6]
|
||||||
|
|
||||||
material:
|
material:
|
||||||
- homogenization: SX
|
- homogenization: SX
|
||||||
constituents:
|
constituents:
|
||||||
|
|
@ -105,22 +124,3 @@ material:
|
||||||
- phase: Aluminum
|
- phase: Aluminum
|
||||||
v: 1.0
|
v: 1.0
|
||||||
O: [0.7729330445886478, 0.21682179052722322, -0.5207379472917645, 0.2905078484066341]
|
O: [0.7729330445886478, 0.21682179052722322, -0.5207379472917645, 0.2905078484066341]
|
||||||
|
|
||||||
phase:
|
|
||||||
Aluminum:
|
|
||||||
lattice: cF
|
|
||||||
mechanical:
|
|
||||||
output: [F, P, F_e, F_p, L_p, O]
|
|
||||||
elastic: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
|
|
||||||
plastic:
|
|
||||||
N_sl: [12]
|
|
||||||
a_sl: 2.25
|
|
||||||
atol_xi: 1.0
|
|
||||||
dot_gamma_0_sl: 0.001
|
|
||||||
h_0_sl_sl: 75e6
|
|
||||||
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
|
||||||
n_sl: 20
|
|
||||||
output: [xi_sl]
|
|
||||||
type: phenopowerlaw
|
|
||||||
xi_0_sl: [31e6]
|
|
||||||
xi_inf_sl: [63e6]
|
|
||||||
|
|
|
||||||
|
|
@ -1,15 +1,16 @@
|
||||||
homogenization:
|
homogenization:
|
||||||
SX:
|
SX:
|
||||||
N_constituents: 1
|
N_constituents: 1
|
||||||
mechanics: {type: none}
|
mechanics: {type: pass}
|
||||||
|
|
||||||
phase:
|
phase:
|
||||||
Aluminum:
|
Aluminum:
|
||||||
lattice: cF
|
lattice: cF
|
||||||
mechanics:
|
mechanics:
|
||||||
output: [F, P, F_e, F_p, L_p]
|
output: [F, P, F_e, F_p, L_p]
|
||||||
elasticity: {C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9, type: hooke}
|
elasticity: {type: Hooke, C_11: 106.75e9, C_12: 60.41e9, C_44: 28.34e9}
|
||||||
plasticity:
|
plasticity:
|
||||||
|
type: phenopowerlaw
|
||||||
N_sl: [12]
|
N_sl: [12]
|
||||||
a_sl: 2.25
|
a_sl: 2.25
|
||||||
atol_xi: 1.0
|
atol_xi: 1.0
|
||||||
|
|
@ -18,508 +19,507 @@ phase:
|
||||||
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
h_sl_sl: [1, 1, 1.4, 1.4, 1.4, 1.4]
|
||||||
n_sl: 20
|
n_sl: 20
|
||||||
output: [xi_sl]
|
output: [xi_sl]
|
||||||
type: phenopowerlaw
|
|
||||||
xi_0_sl: [31e6]
|
xi_0_sl: [31e6]
|
||||||
xi_inf_sl: [63e6]
|
xi_inf_sl: [63e6]
|
||||||
|
|
||||||
material:
|
material:
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.12807292351503236, 0.22200469518411023, 0.6352813278477609, -0.7285114110750144]
|
- O: [0.12807292351503236, 0.22200469518411023, 0.6352813278477609, -0.7285114110750144]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.372279509887385, 0.7538147166654958, 0.5325170025119552, -0.09796418474222598]
|
- O: [0.372279509887385, 0.7538147166654958, 0.5325170025119552, -0.09796418474222598]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.36250483607280015, 0.1909385526545633, 0.22801354774620894, 0.883256777487838]
|
- O: [0.36250483607280015, 0.1909385526545633, 0.22801354774620894, 0.883256777487838]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.732294920525089, 0.5171063011556195, -0.1407961220188403, 0.4201448258669421]
|
- O: [0.732294920525089, 0.5171063011556195, -0.1407961220188403, 0.4201448258669421]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.708826030342622, -0.6702053835750753, -0.20103371291967786, -0.08930760776907508]
|
- O: [0.708826030342622, -0.6702053835750753, -0.20103371291967786, -0.08930760776907508]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5987257793404215, -0.07651654961032513, 0.5682302685884709, 0.5592736545277363]
|
- O: [0.5987257793404215, -0.07651654961032513, 0.5682302685884709, 0.5592736545277363]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.06694940093926707, -0.30782756132267486, -0.12043616569331547, 0.9414112279960869]
|
- O: [0.06694940093926707, -0.30782756132267486, -0.12043616569331547, 0.9414112279960869]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.18461382116884548, -0.6204161624733774, -0.29958251820830917, 0.700893599028564]
|
- O: [0.18461382116884548, -0.6204161624733774, -0.29958251820830917, 0.700893599028564]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.9169840196863235, -0.06434514294945529, -0.39316017660689456, -0.02061760774585527]
|
- O: [0.9169840196863235, -0.06434514294945529, -0.39316017660689456, -0.02061760774585527]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.6721337568887824, 0.25328061978301336, 0.695177984796291, 0.028508068111876502]
|
- O: [0.6721337568887824, 0.25328061978301336, 0.695177984796291, 0.028508068111876502]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5634397986285561, 0.5706880594373327, 0.08060455928790704, 0.5919067808017289]
|
- O: [0.5634397986285561, 0.5706880594373327, 0.08060455928790704, 0.5919067808017289]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5400408176755693, -0.4956697116684921, 0.14064883310776702, 0.6654963245008945]
|
- O: [0.5400408176755693, -0.4956697116684921, 0.14064883310776702, 0.6654963245008945]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.07812412485408982, 0.5540083408137547, 0.5031719732018802, -0.6586268631089227]
|
- O: [0.07812412485408982, 0.5540083408137547, 0.5031719732018802, -0.6586268631089227]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.41240828720357114, -0.026821321952330345, -0.06656740215323173, -0.9081678271691396]
|
- O: [0.41240828720357114, -0.026821321952330345, -0.06656740215323173, -0.9081678271691396]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.3658567189933218, -0.6119251240676276, 0.3102501533620181, -0.6288412725331445]
|
- O: [0.3658567189933218, -0.6119251240676276, 0.3102501533620181, -0.6288412725331445]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.2308179184918794, 0.26432722557112004, -0.14038019870347257, -0.925822664518926]
|
- O: [0.2308179184918794, 0.26432722557112004, -0.14038019870347257, -0.925822664518926]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.4363489638426341, -0.5213523479018052, -0.37065469878209856, -0.6327767421148525]
|
- O: [0.4363489638426341, -0.5213523479018052, -0.37065469878209856, -0.6327767421148525]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.15751083378097516, -0.5830676086424881, -0.7731435878587035, -0.19357554997086668]
|
- O: [0.15751083378097516, -0.5830676086424881, -0.7731435878587035, -0.19357554997086668]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.41698573506483805, 0.5882742372124636, 0.4716906164392004, 0.5075079122021035]
|
- O: [0.41698573506483805, 0.5882742372124636, 0.4716906164392004, 0.5075079122021035]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.17835925061073415, -0.7576341567357145, 0.5458453874401553, 0.3102116620619653]
|
- O: [0.17835925061073415, -0.7576341567357145, 0.5458453874401553, 0.3102116620619653]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.016537212068790805, -0.06560032016255024, -0.9814007903497085, 0.17965413246716677]
|
- O: [0.016537212068790805, -0.06560032016255024, -0.9814007903497085, 0.17965413246716677]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7933419088044938, -0.4975616690562898, 0.002907610903989995, 0.35075995640778657]
|
- O: [0.7933419088044938, -0.4975616690562898, 0.002907610903989995, 0.35075995640778657]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.3635770516878745, -0.09660008514915623, 0.36238757501055235, 0.8527340713921895]
|
- O: [0.3635770516878745, -0.09660008514915623, 0.36238757501055235, 0.8527340713921895]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.35469467802378446, 0.900798059498047, 0.14285057027288334, -0.20578691882349764]
|
- O: [0.35469467802378446, 0.900798059498047, 0.14285057027288334, -0.20578691882349764]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.06696575255653868, 0.5321303636902097, -0.6166115894646206, 0.5763184985417141]
|
- O: [0.06696575255653868, 0.5321303636902097, -0.6166115894646206, 0.5763184985417141]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.31809816235976984, 0.4876502255202392, -0.7296452532806524, -0.3586483249903866]
|
- O: [0.31809816235976984, 0.4876502255202392, -0.7296452532806524, -0.3586483249903866]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.2549514949878876, 0.05524371396681128, 0.9470351218726387, -0.18727612023499066]
|
- O: [0.2549514949878876, 0.05524371396681128, 0.9470351218726387, -0.18727612023499066]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.3760153183052231, -0.4217640210815424, 0.6443784334217433, -0.515270827295598]
|
- O: [0.3760153183052231, -0.4217640210815424, 0.6443784334217433, -0.515270827295598]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.6102174060370085, -0.022958466699548683, -0.6694455254088741, -0.42302519391438936]
|
- O: [0.6102174060370085, -0.022958466699548683, -0.6694455254088741, -0.42302519391438936]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5254549417230717, 0.20193294294562072, -0.19303567281299983, -0.8036525491739303]
|
- O: [0.5254549417230717, 0.20193294294562072, -0.19303567281299983, -0.8036525491739303]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7169626866664082, -0.6629494257626796, -0.1589260699014312, -0.14561960415653047]
|
- O: [0.7169626866664082, -0.6629494257626796, -0.1589260699014312, -0.14561960415653047]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
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|
||||||
- O: [0.8207922579932034, -0.40913772106857016, -0.29054259084664685, 0.2729311219362013]
|
- O: [0.8207922579932034, -0.40913772106857016, -0.29054259084664685, 0.2729311219362013]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.39996686955088523, 0.8073277952554248, -0.42163315248684, 0.10234167769627939]
|
- O: [0.39996686955088523, 0.8073277952554248, -0.42163315248684, 0.10234167769627939]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.14522555946678525, -0.9642883914638805, -0.07079650136982708, -0.20986969852590256]
|
- O: [0.14522555946678525, -0.9642883914638805, -0.07079650136982708, -0.20986969852590256]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.8609444342657742, -0.4171158046302133, 0.08690127066297638, -0.2779159149664443]
|
- O: [0.8609444342657742, -0.4171158046302133, 0.08690127066297638, -0.2779159149664443]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.09931399908465133, 0.16026167862873547, -0.3511391996430844, 0.9171445831617433]
|
- O: [0.09931399908465133, 0.16026167862873547, -0.3511391996430844, 0.9171445831617433]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.6587918595877198, 0.6189906598816806, 0.0005033162297445391, 0.42760214615103187]
|
- O: [0.6587918595877198, 0.6189906598816806, 0.0005033162297445391, 0.42760214615103187]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7412785017238798, -0.6379030203895805, -0.20813887288112973, -0.016252047736315157]
|
- O: [0.7412785017238798, -0.6379030203895805, -0.20813887288112973, -0.016252047736315157]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5032998395625615, -0.8189944544199759, -0.2752734056777696, 0.012724278061564797]
|
- O: [0.5032998395625615, -0.8189944544199759, -0.2752734056777696, 0.012724278061564797]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.30815895127983317, 0.20282878988385175, 0.8579906660791383, -0.3574221029279561]
|
- O: [0.30815895127983317, 0.20282878988385175, 0.8579906660791383, -0.3574221029279561]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.0912817179686122, 0.5543695707221443, -0.21745503821012058, 0.7981574615193918]
|
- O: [0.0912817179686122, 0.5543695707221443, -0.21745503821012058, 0.7981574615193918]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.718183481882936, 0.6611923783626078, 0.21674094418893908, 0.007777419738431369]
|
- O: [0.718183481882936, 0.6611923783626078, 0.21674094418893908, 0.007777419738431369]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.641563954107516, 0.47603559168775506, 0.3154268571613459, 0.512144223844938]
|
- O: [0.641563954107516, 0.47603559168775506, 0.3154268571613459, 0.512144223844938]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.8439024683820513, 0.43153248029761754, -0.2652577072450959, -0.1767673359360896]
|
- O: [0.8439024683820513, 0.43153248029761754, -0.2652577072450959, -0.1767673359360896]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.17482457972766288, 0.13632980653604765, -0.729153335123429, -0.6474457228612067]
|
- O: [0.17482457972766288, 0.13632980653604765, -0.729153335123429, -0.6474457228612067]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5462682331321344, -0.6419412420912892, 0.5193526292629735, -0.14062469786856494]
|
- O: [0.5462682331321344, -0.6419412420912892, 0.5193526292629735, -0.14062469786856494]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.06193959356412827, 0.9446609987066811, 0.2955015499517284, 0.12828841821354212]
|
- O: [0.06193959356412827, 0.9446609987066811, 0.2955015499517284, 0.12828841821354212]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.13005379758833394, -0.4761566918831448, -0.8677539374042601, -0.0579992985057245]
|
- O: [0.13005379758833394, -0.4761566918831448, -0.8677539374042601, -0.0579992985057245]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.12401013449245081, -0.9269166108137696, 0.1869992698940139, -0.30079620376558064]
|
- O: [0.12401013449245081, -0.9269166108137696, 0.1869992698940139, -0.30079620376558064]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.6368058430024911, 0.28319472159332215, 0.09883070908659818, -0.7102897710941695]
|
- O: [0.6368058430024911, 0.28319472159332215, 0.09883070908659818, -0.7102897710941695]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7479222172438762, 0.5613955239110566, -0.3036337525818155, -0.18235670258786588]
|
- O: [0.7479222172438762, 0.5613955239110566, -0.3036337525818155, -0.18235670258786588]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.13628779568798424, -0.7300975764648174, 0.27927071064003745, -0.6085975975678171]
|
- O: [0.13628779568798424, -0.7300975764648174, 0.27927071064003745, -0.6085975975678171]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.24072388217536397, -0.41900940030067935, -0.16600482052691715, 0.859607779497087]
|
- O: [0.24072388217536397, -0.41900940030067935, -0.16600482052691715, 0.859607779497087]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.75515292090621, 0.08155675624188279, -0.050775397210192544, 0.6484708324946223]
|
- O: [0.75515292090621, 0.08155675624188279, -0.050775397210192544, 0.6484708324946223]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.6714109994800408, 0.44985122714627734, -0.39700997413825245, -0.4349991076392517]
|
- O: [0.6714109994800408, 0.44985122714627734, -0.39700997413825245, -0.4349991076392517]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.42120801893902454, -0.5534446724220495, -0.5021395923844388, 0.5139441887103136]
|
- O: [0.42120801893902454, -0.5534446724220495, -0.5021395923844388, 0.5139441887103136]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.021268573686443606, 0.024774237164421335, -0.3057203971540149, -0.9515613084348569]
|
- O: [0.021268573686443606, 0.024774237164421335, -0.3057203971540149, -0.9515613084348569]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7264452778402825, -0.06307246428220294, -0.667017211813705, -0.15292861634499988]
|
- O: [0.7264452778402825, -0.06307246428220294, -0.667017211813705, -0.15292861634499988]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.23746818259636918, 0.6362552151914914, 0.7106717442450251, -0.18366773077418935]
|
- O: [0.23746818259636918, 0.6362552151914914, 0.7106717442450251, -0.18366773077418935]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.24869738401636882, 0.6772930680861174, -0.5511240766607762, 0.4191490942740014]
|
- O: [0.24869738401636882, 0.6772930680861174, -0.5511240766607762, 0.4191490942740014]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
|
|
|
||||||
|
|
@ -1,53 +0,0 @@
|
||||||
#!/bin/ksh
|
|
||||||
# 1st arg: $DIR
|
|
||||||
# 2nd arg: $DIRJOB
|
|
||||||
# 3rd arg: $user
|
|
||||||
# 4th arg: $program
|
|
||||||
DIR=$1
|
|
||||||
user=$3
|
|
||||||
program=$4
|
|
||||||
usernoext=$user
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
|
||||||
|
|
||||||
# add BLAS options for linking
|
|
||||||
BLAS="%BLAS%"
|
|
||||||
|
|
||||||
. $DIR/tools/include
|
|
||||||
DIRJOB=$2
|
|
||||||
cd $DIRJOB
|
|
||||||
echo "Compiling and linking user subroutine $user on host `hostname`"
|
|
||||||
echo "program: $program"
|
|
||||||
$DFORTHIGHMP $user || \
|
|
||||||
{
|
|
||||||
echo "$0: compile failed for $user"
|
|
||||||
exit 1
|
|
||||||
}
|
|
||||||
/bin/rm $program 2>/dev/null
|
|
||||||
userobj=$usernoext.o
|
|
||||||
|
|
||||||
|
|
||||||
$LOAD ${program} $DIR/lib/main.o\
|
|
||||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
|
||||||
${userobj-} \
|
|
||||||
$DIR/lib/srclib.a \
|
|
||||||
$MNFLIBS \
|
|
||||||
$MDUSER \
|
|
||||||
../lib/mdsrc.a \
|
|
||||||
../lib/mcvfit.a \
|
|
||||||
$STUBS \
|
|
||||||
${SOLVERLIBS} \
|
|
||||||
$TKLIBS \
|
|
||||||
$MRCLIBS \
|
|
||||||
$METISLIBS \
|
|
||||||
$BLAS \
|
|
||||||
$SYSLIBS || \
|
|
||||||
{
|
|
||||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
|
||||||
exit 1
|
|
||||||
}
|
|
||||||
/bin/rm $userobj
|
|
||||||
/bin/rm $DIRJOB/*.mod
|
|
||||||
/bin/rm $DIRJOB/*.smod
|
|
||||||
|
|
@ -1,53 +0,0 @@
|
||||||
#!/bin/ksh
|
|
||||||
# 1st arg: $DIR
|
|
||||||
# 2nd arg: $DIRJOB
|
|
||||||
# 3rd arg: $user
|
|
||||||
# 4th arg: $program
|
|
||||||
DIR=$1
|
|
||||||
user=$3
|
|
||||||
program=$4
|
|
||||||
usernoext=$user
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
|
||||||
|
|
||||||
# add BLAS options for linking
|
|
||||||
BLAS="%BLAS%"
|
|
||||||
|
|
||||||
. $DIR/tools/include
|
|
||||||
DIRJOB=$2
|
|
||||||
cd $DIRJOB
|
|
||||||
echo "Compiling and linking user subroutine $user on host `hostname`"
|
|
||||||
echo "program: $program"
|
|
||||||
$DFORTRANLOWMP $user || \
|
|
||||||
{
|
|
||||||
echo "$0: compile failed for $user"
|
|
||||||
exit 1
|
|
||||||
}
|
|
||||||
/bin/rm $program 2>/dev/null
|
|
||||||
userobj=$usernoext.o
|
|
||||||
|
|
||||||
|
|
||||||
$LOAD ${program} $DIR/lib/main.o\
|
|
||||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
|
||||||
${userobj-} \
|
|
||||||
$DIR/lib/srclib.a \
|
|
||||||
$MNFLIBS \
|
|
||||||
$MDUSER \
|
|
||||||
../lib/mdsrc.a \
|
|
||||||
../lib/mcvfit.a \
|
|
||||||
$STUBS \
|
|
||||||
${SOLVERLIBS} \
|
|
||||||
$TKLIBS \
|
|
||||||
$MRCLIBS \
|
|
||||||
$METISLIBS \
|
|
||||||
$BLAS \
|
|
||||||
$SYSLIBS || \
|
|
||||||
{
|
|
||||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
|
||||||
exit 1
|
|
||||||
}
|
|
||||||
/bin/rm $userobj
|
|
||||||
/bin/rm $DIRJOB/*.mod
|
|
||||||
/bin/rm $DIRJOB/*.smod
|
|
||||||
|
|
@ -1,53 +0,0 @@
|
||||||
#!/bin/ksh
|
|
||||||
# 1st arg: $DIR
|
|
||||||
# 2nd arg: $DIRJOB
|
|
||||||
# 3rd arg: $user
|
|
||||||
# 4th arg: $program
|
|
||||||
DIR=$1
|
|
||||||
user=$3
|
|
||||||
program=$4
|
|
||||||
usernoext=$user
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
|
||||||
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
|
||||||
|
|
||||||
# add BLAS options for linking
|
|
||||||
BLAS="%BLAS%"
|
|
||||||
|
|
||||||
. $DIR/tools/include
|
|
||||||
DIRJOB=$2
|
|
||||||
cd $DIRJOB
|
|
||||||
echo "Compiling and linking user subroutine $user on host `hostname`"
|
|
||||||
echo "program: $program"
|
|
||||||
$DFORTRANMP $user || \
|
|
||||||
{
|
|
||||||
echo "$0: compile failed for $user"
|
|
||||||
exit 1
|
|
||||||
}
|
|
||||||
/bin/rm $program 2>/dev/null
|
|
||||||
userobj=$usernoext.o
|
|
||||||
|
|
||||||
|
|
||||||
$LOAD ${program} $DIR/lib/main.o\
|
|
||||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
|
||||||
${userobj-} \
|
|
||||||
$DIR/lib/srclib.a \
|
|
||||||
$MNFLIBS \
|
|
||||||
$MDUSER \
|
|
||||||
../lib/mdsrc.a \
|
|
||||||
../lib/mcvfit.a \
|
|
||||||
$STUBS \
|
|
||||||
${SOLVERLIBS} \
|
|
||||||
$TKLIBS \
|
|
||||||
$MRCLIBS \
|
|
||||||
$METISLIBS \
|
|
||||||
$BLAS \
|
|
||||||
$SYSLIBS || \
|
|
||||||
{
|
|
||||||
echo "$0: link failed for $usernoext.o on host `hostname`"
|
|
||||||
exit 1
|
|
||||||
}
|
|
||||||
/bin/rm $userobj
|
|
||||||
/bin/rm $DIRJOB/*.mod
|
|
||||||
/bin/rm $DIRJOB/*.smod
|
|
||||||
|
|
@ -1,41 +0,0 @@
|
||||||
#!/bin/ksh
|
|
||||||
# 1st arg: $DIR
|
|
||||||
# 2nd arg: $DIRJOB
|
|
||||||
# 3rd arg: $user
|
|
||||||
# 4th arg: $program
|
|
||||||
DIR=$1
|
|
||||||
user=$3
|
|
||||||
program=$4
|
|
||||||
. $DIR/tools/include
|
|
||||||
DIRJOB=$2
|
|
||||||
cd $DIRJOB
|
|
||||||
echo "Compiling and linking user subroutine $user.f on host `hostname`"
|
|
||||||
echo "program: $program"
|
|
||||||
$FORTRAN $user.f || \
|
|
||||||
{
|
|
||||||
echo "$0: compile failed for $user.f"
|
|
||||||
exit 1
|
|
||||||
}
|
|
||||||
/bin/rm $program 2>/dev/null
|
|
||||||
userobj=$user.o
|
|
||||||
|
|
||||||
|
|
||||||
$LOAD ${program} $DIR/lib/main.o\
|
|
||||||
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
|
||||||
${userobj-} \
|
|
||||||
$DIR/lib/srclib.a \
|
|
||||||
$MNFLIBS \
|
|
||||||
$MDUSER \
|
|
||||||
../lib/mdsrc.a \
|
|
||||||
../lib/mcvfit.a \
|
|
||||||
$STUBS \
|
|
||||||
${SOLVERLIBS} \
|
|
||||||
$TKLIBS \
|
|
||||||
$MRCLIBS \
|
|
||||||
$METISLIBS \
|
|
||||||
$SYSLIBS || \
|
|
||||||
{
|
|
||||||
echo "$0: link failed for $user.o on host `hostname`"
|
|
||||||
exit 1
|
|
||||||
}
|
|
||||||
/bin/rm $userobj
|
|
||||||
|
|
@ -1,804 +0,0 @@
|
||||||
#
|
|
||||||
# General definitions for the Marc 2018.1 version
|
|
||||||
#
|
|
||||||
# EM64T
|
|
||||||
#
|
|
||||||
# Linux RedHat 7.1 / SuSE 11 SP4
|
|
||||||
#
|
|
||||||
# 64 bit MPI version
|
|
||||||
#
|
|
||||||
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
|
|
||||||
# running on Intel(R) 64, Version 17.0.2.174 Build 20170213
|
|
||||||
#
|
|
||||||
# Intel(R) C Intel(R) 64 Compiler XE for applications
|
|
||||||
# running on Intel(R) 64, Version 17.0.2.174 Build 20170213
|
|
||||||
#
|
|
||||||
# To check the O/S level, type:
|
|
||||||
# uname -a
|
|
||||||
#
|
|
||||||
# Distributed parallel MPI libraries:
|
|
||||||
# 1) HP MPI 2.3
|
|
||||||
# To check the mpi version, type:
|
|
||||||
# mpirun -version
|
|
||||||
# 2) Intel MPI 2017.1
|
|
||||||
# To check the mpi version, type:
|
|
||||||
# mpiexec.hydra -version
|
|
||||||
#
|
|
||||||
# To check the Compiler level, type using the compiler
|
|
||||||
# installation path:
|
|
||||||
# ifort -V
|
|
||||||
# icc -V
|
|
||||||
#
|
|
||||||
# REMARKS : This file contains the definitions of variables used during
|
|
||||||
# compilation loading and use of the MARC programmes . The
|
|
||||||
# current machine type is identified by means of the variable
|
|
||||||
# MACHINE , defined below.
|
|
||||||
#
|
|
||||||
#
|
|
||||||
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
|
|
||||||
# DIRJOB : directory in which spawned jobs should look for Marc input
|
|
||||||
# MPI_ARCH: system architecture
|
|
||||||
# MPI_EPATH: path where executable resides
|
|
||||||
#
|
|
||||||
REVISION="VERSION, BUILD"
|
|
||||||
HOSTNAME=`hostname`
|
|
||||||
|
|
||||||
# find available memory in Mbyte on the machine
|
|
||||||
# can be set explicitly
|
|
||||||
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
|
|
||||||
|
|
||||||
# set _OEM_NASTRAN to 1 for MD Nastran build
|
|
||||||
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
|
|
||||||
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
|
|
||||||
|
|
||||||
# uncomment the following line for an autoforge build
|
|
||||||
#AUTOFORGE=1
|
|
||||||
AUTOFORGE=0
|
|
||||||
export AUTOFORGE
|
|
||||||
|
|
||||||
# integer size
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "" ; then
|
|
||||||
INTEGER_PATH=
|
|
||||||
else
|
|
||||||
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
|
||||||
fi
|
|
||||||
|
|
||||||
INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
|
|
||||||
|
|
||||||
# find the root directory of the compiler installation:
|
|
||||||
# - if ifort is found in $PATH, then the root directory is derived
|
|
||||||
# from the path to ifort
|
|
||||||
# - if ifort is not found in $PATH, the root directory is assumed
|
|
||||||
# to be $INTELPATH and the directory in which ifort is found is
|
|
||||||
# added to $PATH
|
|
||||||
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
|
|
||||||
if test -n "$FCOMPPATH"; then
|
|
||||||
# derive the root directory from $FCOMPPATH
|
|
||||||
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
|
|
||||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
|
||||||
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
|
|
||||||
fi
|
|
||||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
|
||||||
FCOMPROOT=
|
|
||||||
fi
|
|
||||||
elif test -d "$INTELPATH"; then
|
|
||||||
# check for compiler in $INTELPATH
|
|
||||||
if test -d "$INTELPATH/bin/intel64" -a \
|
|
||||||
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
|
|
||||||
FCOMPROOT="$INTELPATH"
|
|
||||||
PATH="$INTELPATH/bin/intel64:$PATH"
|
|
||||||
elif test -d "$INTELPATH/bin" -a \
|
|
||||||
-x "$INTELPATH/bin/$FCOMP"; then
|
|
||||||
FCOMPROOT="$INTELPATH"
|
|
||||||
PATH="$INTELPATH/bin:$PATH"
|
|
||||||
else
|
|
||||||
FCOMPROOT=
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
FCOMPROOT=
|
|
||||||
fi
|
|
||||||
|
|
||||||
# DAMASK uses the HDF5 compiler wrapper around the Intel compiler
|
|
||||||
H5FC="$(h5fc -shlib -show)"
|
|
||||||
HDF5_LIB=${H5FC//ifort/}
|
|
||||||
FCOMP="$H5FC -DDAMASK_HDF5"
|
|
||||||
|
|
||||||
# AEM
|
|
||||||
if test "$MARCDLLOUTDIR" = ""; then
|
|
||||||
DLLOUTDIR="$MARC_LIB"
|
|
||||||
else
|
|
||||||
DLLOUTDIR="$MARCDLLOUTDIR"
|
|
||||||
fi
|
|
||||||
|
|
||||||
# settings for MKL
|
|
||||||
if test "$IMKLDIR" = ""; then
|
|
||||||
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
|
|
||||||
else
|
|
||||||
MARC_MKL=$IMKLDIR/lib/intel64
|
|
||||||
fi
|
|
||||||
|
|
||||||
#
|
|
||||||
# settings for Metis
|
|
||||||
#
|
|
||||||
METIS="-I$METIS_SOURCE/include"
|
|
||||||
METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
|
|
||||||
|
|
||||||
#
|
|
||||||
# settings for MPI
|
|
||||||
#
|
|
||||||
# RCP and RSH are used for parallel network runs
|
|
||||||
# replace with similar commands like rsh if needed
|
|
||||||
RCP=/usr/bin/scp
|
|
||||||
RSH=/usr/bin/ssh
|
|
||||||
#
|
|
||||||
|
|
||||||
|
|
||||||
MPI_DEFAULT=intelmpi
|
|
||||||
MPI_OTHER=hpmpi
|
|
||||||
|
|
||||||
MPITYPE=$MPI_DEFAULT
|
|
||||||
|
|
||||||
if test $AUTOFORGE
|
|
||||||
then
|
|
||||||
if test $AUTOFORGE = 1
|
|
||||||
then
|
|
||||||
MPITYPE=none
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
|
|
||||||
if test $MARC_MPITYPE
|
|
||||||
then
|
|
||||||
MPITYPE=$MARC_MPITYPE
|
|
||||||
fi
|
|
||||||
|
|
||||||
# always set MPITYPE to none for MD Nastran
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
MPITYPE=none
|
|
||||||
fi
|
|
||||||
|
|
||||||
# Edit following lines to build with GPGPU version of BCS Solver for
|
|
||||||
# NVIDIA platforms
|
|
||||||
#BCSGPUSOLVER=NONE
|
|
||||||
BCSGPUSOLVER=BCSGPU
|
|
||||||
|
|
||||||
# Edit following lines to set the openssl library
|
|
||||||
if test "$OPENSSL" != "NONE"
|
|
||||||
then
|
|
||||||
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
|
|
||||||
fi
|
|
||||||
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
|
|
||||||
|
|
||||||
# activate contact component build if flagged
|
|
||||||
AEM_DLL=0
|
|
||||||
if test "$AEM_BUILD" = "ON" ; then
|
|
||||||
AEM_DLL=1
|
|
||||||
LINK_MARC_DLL="-shared -fPIC"
|
|
||||||
EXT_DLL="so"
|
|
||||||
MPITYPE=none
|
|
||||||
MPI_OTHER=
|
|
||||||
BCSGPUSOLVER=NONE
|
|
||||||
MUMPSSOLVER=NONE
|
|
||||||
CASISOLVER=NONE
|
|
||||||
fi
|
|
||||||
|
|
||||||
SOLVERFLAGS=
|
|
||||||
if test "$BCSGPUSOLVER" = BCSGPU
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
|
|
||||||
BCS_DIR=bcsgpusolver
|
|
||||||
else
|
|
||||||
BCS_DIR=bcssolver
|
|
||||||
fi
|
|
||||||
#
|
|
||||||
# settings for MPI
|
|
||||||
#
|
|
||||||
DDM=
|
|
||||||
if test $MPITYPE != none
|
|
||||||
then
|
|
||||||
if test $MPITYPE = hpmpi
|
|
||||||
then
|
|
||||||
FCOMPMPI=mpif90
|
|
||||||
export MPI_ROOT=$MARC_HPMPI
|
|
||||||
export MPI_REMSH=$RSH
|
|
||||||
export MPI_F77=$FCOMP
|
|
||||||
ARCHITECTURE=linux_amd64
|
|
||||||
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
|
|
||||||
MPI_CLEAN=
|
|
||||||
export MPI_EPATH=$MARC_BIN
|
|
||||||
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
|
|
||||||
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
|
|
||||||
# Below line is moved in run_marc file
|
|
||||||
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
|
|
||||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
|
|
||||||
if test -n "$MSC_LICENSE_FILE"
|
|
||||||
then
|
|
||||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
|
|
||||||
fi
|
|
||||||
if test -n "$LM_LICENSE_FILE"
|
|
||||||
then
|
|
||||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
|
|
||||||
fi
|
|
||||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
|
|
||||||
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
|
|
||||||
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
|
|
||||||
RUN_JOB0=
|
|
||||||
fi
|
|
||||||
if test $MPITYPE = intelmpi
|
|
||||||
then
|
|
||||||
INTELMPI_VERSION=HYDRA
|
|
||||||
FCOMPMPI=mpiifort
|
|
||||||
MPI_ROOT=$MARC_INTELMPI
|
|
||||||
DDM="-I${MPI_ROOT}/include -DDDM"
|
|
||||||
PATH=$MPI_ROOT/bin:$PATH
|
|
||||||
export PATH
|
|
||||||
LD_LIBRARY_PATH=$MPI_ROOT/lib:$LD_LIBRARY_PATH
|
|
||||||
export LD_LIBRARY_PATH
|
|
||||||
if test $INTELMPI_VERSION = HYDRA
|
|
||||||
then
|
|
||||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
|
|
||||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
|
|
||||||
else
|
|
||||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
|
|
||||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
|
|
||||||
fi
|
|
||||||
RUN_JOB0=
|
|
||||||
MPI_CLEAN=
|
|
||||||
MPI_EPATH=$MARC_BIN
|
|
||||||
MPIR_HOME=$MPI_ROOT
|
|
||||||
MPICH_F77=$FCOMP
|
|
||||||
MPICH_F77LINKER=$FCOMP
|
|
||||||
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
|
|
||||||
I_MPI_PIN_DOMAIN=node
|
|
||||||
export I_MPI_PIN_DOMAIN
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
MPI_ROOT=$MARC_DUMMYMPI
|
|
||||||
export MPI_ROOT=$MARC_DUMMYMPI
|
|
||||||
DDM="-I$MPI_ROOT/include"
|
|
||||||
fi
|
|
||||||
|
|
||||||
#
|
|
||||||
# variables for the "maintain" script
|
|
||||||
#
|
|
||||||
|
|
||||||
MACHINENAME=LINUX
|
|
||||||
MACHINE64BIT=yes
|
|
||||||
MACHINE=Linux_EM64T
|
|
||||||
DEV=/dev/tape
|
|
||||||
GETLOG="whoami"
|
|
||||||
CLEAR="clear"
|
|
||||||
MY_UNAME=`uname -a`
|
|
||||||
|
|
||||||
# Edit following 2 lines to build with VKI Solver
|
|
||||||
#VKISOLVER=VKI
|
|
||||||
VKISOLVER=NONE
|
|
||||||
|
|
||||||
# Edit following 2 lines to build with CASI Solver
|
|
||||||
CASISOLVER=CASI
|
|
||||||
if test "$MARC_CASISOLVER" = "NONE" ; then
|
|
||||||
CASISOLVER=NONE
|
|
||||||
fi
|
|
||||||
#CASISOLVER=NONE
|
|
||||||
|
|
||||||
# Edit following 2 lines to build with MF2 Solver
|
|
||||||
MF2SOLVER=NONE
|
|
||||||
#MF2SOLVER=SERIAL
|
|
||||||
#MF2SOLVER=MF2PARALLEL
|
|
||||||
|
|
||||||
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
|
|
||||||
#INTELSOLVER=NONE
|
|
||||||
INTELSOLVER=PARDISO
|
|
||||||
|
|
||||||
# Edit following lines to build with MUMPS
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
#MUMPSSOLVER=NONE
|
|
||||||
MUMPSSOLVER=MUMPS
|
|
||||||
else
|
|
||||||
#MUMPSSOLVER=NONE
|
|
||||||
MUMPSSOLVER=MUMPS
|
|
||||||
fi
|
|
||||||
|
|
||||||
# Edit following 2 lines to build MARC dynamic shared library
|
|
||||||
MARC_DLL=MARC_DLL
|
|
||||||
MARC_DLL=NONE
|
|
||||||
|
|
||||||
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
VKISOLVER=NONE
|
|
||||||
CASISOLVER=NONE
|
|
||||||
MF2SOLVER=NONE
|
|
||||||
INTELSOLVER=NONE
|
|
||||||
MUMPSSOLVER=NONE
|
|
||||||
BCSGPUSOLVER=NONE
|
|
||||||
MARC_DLL=NONE
|
|
||||||
fi
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
VKISOLVER=NONE
|
|
||||||
CASISOLVER=NONE
|
|
||||||
MF2SOLVER=NONE
|
|
||||||
INTELSOLVER=NONE
|
|
||||||
MUMPSSOLVER=NONE
|
|
||||||
BCSGPUSOLVER=NONE
|
|
||||||
fi
|
|
||||||
|
|
||||||
#
|
|
||||||
# define Fortran and C compile syntax
|
|
||||||
#
|
|
||||||
if test "$VKISOLVER" = VKI
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$CASISOLVER" = CASI
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MF2SOLVER" = MF2PARALLEL
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
|
|
||||||
fi
|
|
||||||
if test "$MF2SOLVER" = MF2SERIAL
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$INTELSOLVER" = PARDISO
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MUMPSSOLVER" = MUMPS
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
if test "$MARC_DLL" = MARC_DLL
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
|
|
||||||
fi
|
|
||||||
|
|
||||||
LINK_OPT=
|
|
||||||
DEBUG_OPT=
|
|
||||||
C_DEBUG_OPT=
|
|
||||||
|
|
||||||
#Uncomment following line to build Marc in debuggable mode
|
|
||||||
MARCDEBUG=
|
|
||||||
#MARCDEBUG="ON"
|
|
||||||
|
|
||||||
if test "$MARCDEBUG" = "ON"
|
|
||||||
then
|
|
||||||
LINK_OPT="-debug -traceback"
|
|
||||||
DEBUG_OPT="-debug -traceback"
|
|
||||||
C_DEBUG_OPT="-debug -traceback"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
MARCCHECK=
|
|
||||||
#MARCCHECK="ON"
|
|
||||||
if test "$MARCCHECK" = "ON"
|
|
||||||
then
|
|
||||||
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
|
|
||||||
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
|
|
||||||
fi
|
|
||||||
|
|
||||||
MARCCODECOV=
|
|
||||||
#MARCCODECOV="ON"
|
|
||||||
|
|
||||||
MARCCODEPROF=
|
|
||||||
#MARCCODEPROF="ON"
|
|
||||||
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
I8FFLAGS=
|
|
||||||
I8DEFINES=
|
|
||||||
I8CDEFINES=
|
|
||||||
else
|
|
||||||
I8FFLAGS="-i8 -integer-size 64"
|
|
||||||
I8DEFINES="-DI64 -DINT=8"
|
|
||||||
I8CDEFINES="-U_DOUBLE -D_SINGLE"
|
|
||||||
fi
|
|
||||||
|
|
||||||
MTHREAD=OPENMP
|
|
||||||
if test "$MARC_OPENMP" = "NONE" ; then
|
|
||||||
MTHREAD=NONE
|
|
||||||
fi
|
|
||||||
#MTHREAD=NONE
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
MTHREAD=NONE
|
|
||||||
fi
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
MTHREAD=NONE
|
|
||||||
CASISOLVER=NONE
|
|
||||||
VKISOLVER=NONE
|
|
||||||
MF2SOLVER=NONE
|
|
||||||
INTELSOLVER=NONE
|
|
||||||
BCSGPUSOLVER=NONE
|
|
||||||
OPENSSL_LIB=
|
|
||||||
MARC_DLL=NONE
|
|
||||||
METISLIBS=
|
|
||||||
fi
|
|
||||||
|
|
||||||
OMP_COMPAT=NO
|
|
||||||
OMP_COMPAT=YES
|
|
||||||
if test "$MTHREAD" = "NONE"
|
|
||||||
then
|
|
||||||
OMP_COMPAT=NO
|
|
||||||
fi
|
|
||||||
|
|
||||||
CDEFINES=
|
|
||||||
FDEFINES=
|
|
||||||
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
|
|
||||||
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
|
|
||||||
fi
|
|
||||||
|
|
||||||
FDEFINES="$FDEFINES -D_IMPLICITNONE"
|
|
||||||
|
|
||||||
if test "$_OEM_NASTRAN" -eq 0
|
|
||||||
then
|
|
||||||
FDEFINES="$FDEFINES -DMKL -DOPENMP"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$OMP_COMPAT" = "YES"
|
|
||||||
then
|
|
||||||
FDEFINES="$FDEFINES -DOMP_COMPAT"
|
|
||||||
fi
|
|
||||||
|
|
||||||
# -D_MSCMARC
|
|
||||||
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
|
|
||||||
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
|
|
||||||
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
FDEFINES="$FDEFINES -D_AEMNL -DAAA"
|
|
||||||
CDEFINES="$CDEFINES -D_AEMNL -DAAA"
|
|
||||||
fi
|
|
||||||
|
|
||||||
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
CINCL="$CINCL -I../../include"
|
|
||||||
fi
|
|
||||||
|
|
||||||
CC_OPT=
|
|
||||||
if test "$MTHREAD" = "OPENMP"
|
|
||||||
then
|
|
||||||
CC_OPT=" $CC_OPT -qopenmp"
|
|
||||||
fi
|
|
||||||
|
|
||||||
CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
|
|
||||||
if test "$MARCDEBUG" = "ON"
|
|
||||||
then
|
|
||||||
CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
fi
|
|
||||||
|
|
||||||
LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
|
|
||||||
CCT="$CC"
|
|
||||||
CCTLOW="$CCLOW"
|
|
||||||
CCTHIGH="$CCHIGH"
|
|
||||||
|
|
||||||
#PROFILE="-Mprof=func"
|
|
||||||
#PROFILE="-Mprof=lines"
|
|
||||||
#PROFILE="-Mprof=func,mpi"
|
|
||||||
PROFILE=
|
|
||||||
#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
|
|
||||||
if test "$MARCCODECOV" = "ON"
|
|
||||||
then
|
|
||||||
PROFILE="-prof-gen=srcpos"
|
|
||||||
fi
|
|
||||||
if test "$MARCCODEPROF" = "ON"
|
|
||||||
then
|
|
||||||
PROFILE=" $PROFILE -pg"
|
|
||||||
fi
|
|
||||||
|
|
||||||
FORT_OPT="-c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr -mp1 -WB -fp-model source"
|
|
||||||
if test "$MTHREAD" = "OPENMP"
|
|
||||||
then
|
|
||||||
FORT_OPT=" $FORT_OPT -qopenmp"
|
|
||||||
if test "$OMP_COMPAT" = "YES"
|
|
||||||
then
|
|
||||||
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
# FORT_OPT=" $FORT_OPT -auto "
|
|
||||||
FORT_OPT=" $FORT_OPT -save -zero"
|
|
||||||
fi
|
|
||||||
|
|
||||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
|
||||||
# for compiling free form f90 files. high opt, integer(4)
|
|
||||||
FORTF90="$FCOMP -c -O3"
|
|
||||||
|
|
||||||
# determine DAMASK version
|
|
||||||
if test -n "$DAMASK_USER"; then
|
|
||||||
DAMASKROOT=`dirname $DAMASK_USER`/..
|
|
||||||
read DAMASKVERSION < $DAMASKROOT/VERSION
|
|
||||||
DAMASKVERSION="'"$DAMASKVERSION"'"
|
|
||||||
else
|
|
||||||
DAMASKVERSION="'N/A'"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
|
||||||
DFORTLOWMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
|
||||||
-qopenmp -qopenmp-threadprivate=compat\
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
DFORTRANMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
|
||||||
-qopenmp -qopenmp-threadprivate=compat\
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
DFORTHIGHMP="$FCOMP -c -implicitnone -stand f08 -standard-semantics -assume nostd_mod_proc_name -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2018.1 -DDAMASKVERSION=$DAMASKVERSION \
|
|
||||||
-qopenmp -qopenmp-threadprivate=compat\
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
|
|
||||||
|
|
||||||
if test "$MARCDEBUG" = "ON"
|
|
||||||
then
|
|
||||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
FORTLOWT="$FORTLOW"
|
|
||||||
FORTRANT="$FORTRAN"
|
|
||||||
FORTHIGHT="$FORTHIGH"
|
|
||||||
|
|
||||||
FORTRANMNF="$FCOMP -c $FDEFINES "
|
|
||||||
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
|
|
||||||
|
|
||||||
if test $MPITYPE != none
|
|
||||||
then
|
|
||||||
if test $MPITYPE = hpmpi
|
|
||||||
then
|
|
||||||
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
|
||||||
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
|
||||||
fi
|
|
||||||
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
|
|
||||||
# if test $MPITYPE = intelmpi
|
|
||||||
# then
|
|
||||||
# INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
|
|
||||||
# LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
|
||||||
# LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
|
||||||
# fi
|
|
||||||
if test $MPITYPE = intelmpi
|
|
||||||
then
|
|
||||||
LOAD="ifort $PROFILE $LINK_OPT -o "
|
|
||||||
LOADT="ifort $PROFILE $LINK_OPT -o "
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
LOAD="$FCOMP $LINK_OPT -o "
|
|
||||||
LOADT="$FCOMP $LINK_OPT -o "
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MARC_DLL" = MARC_DLL
|
|
||||||
then
|
|
||||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
|
||||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
|
||||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
|
||||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
|
||||||
CC="$CC -fPIC"
|
|
||||||
CCMNF="$CCMNF -fPIC"
|
|
||||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
|
|
||||||
LINK_MARC_DLL="-shared -fPIC"
|
|
||||||
LOAD_DLL=$LOAD
|
|
||||||
LOADT_DLL=$LOADT
|
|
||||||
EXT_DLL="so"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
|
||||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
|
||||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
|
||||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
|
||||||
CC="$CC -fPIC"
|
|
||||||
CCMNF="$CCMNF -fPIC"
|
|
||||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
|
|
||||||
LINK_MARC_DLL="-shared -fPIC"
|
|
||||||
LOAD_DLL=$LOAD
|
|
||||||
LOADT_DLL=$LOADT
|
|
||||||
EXT_DLL="so"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
XLIBS="-L/usr/X11/lib -lX11 "
|
|
||||||
|
|
||||||
#
|
|
||||||
# define archive and ranlib syntax
|
|
||||||
#
|
|
||||||
|
|
||||||
ARC="ar rvl"
|
|
||||||
ARD="ar dvl"
|
|
||||||
ARX="ar xl"
|
|
||||||
RAN=""
|
|
||||||
|
|
||||||
#
|
|
||||||
# choose which libraries you want to use ( e.g. blas )
|
|
||||||
#
|
|
||||||
|
|
||||||
if test "$VKISOLVER" = VKI
|
|
||||||
then
|
|
||||||
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
|
|
||||||
else
|
|
||||||
VKISOLVERLIBS=
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$CASISOLVER" = CASI
|
|
||||||
then
|
|
||||||
CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
|
|
||||||
else
|
|
||||||
CASISOLVERLIBS=
|
|
||||||
fi
|
|
||||||
|
|
||||||
MF2SOLVERLIBS=
|
|
||||||
if test "$MF2SOLVER" = MF2PARALLEL
|
|
||||||
then
|
|
||||||
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
|
|
||||||
$MARC_LIB/mf2parallel/libsym.a \
|
|
||||||
$MARC_LIB/mf2parallel/libmet.a \
|
|
||||||
$MARC_LIB/mf2parallel/libmf2.a \
|
|
||||||
$MARC_LIB/mf2parallel/libgauss.a \
|
|
||||||
$MARC_LIB/mf2parallel/libmf2.a \
|
|
||||||
$MARC_LIB/mf2parallel/libgauss.a \
|
|
||||||
$MARC_LIB/mf2parallel/libnum.a \
|
|
||||||
$MARC_LIB/mf2parallel/libutl.a \
|
|
||||||
$MARC_LIB/mf2parallel/libr8.a \
|
|
||||||
$MARC_LIB/mf2parallel/libz.a "
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MUMPSSOLVER" = MUMPS
|
|
||||||
then
|
|
||||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
|
|
||||||
if test $MPITYPE = none
|
|
||||||
then
|
|
||||||
MUMPSSOLVERLIBS2=
|
|
||||||
echo hello > /dev/null
|
|
||||||
fi
|
|
||||||
if test $MPITYPE = intelmpi
|
|
||||||
then
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
|
|
||||||
else
|
|
||||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
if test $MPITYPE = hpmpi
|
|
||||||
then
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
|
|
||||||
else
|
|
||||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
MUMPSSOLVERLIBS=
|
|
||||||
MUMPSSOLVERLIBS2=
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$BCSGPUSOLVER" = BCSGPU
|
|
||||||
then
|
|
||||||
BCSSOLVERLIBS="${BCSLIB_DIR}/bcsgpulib.a "
|
|
||||||
MARCCUDALIBS1="-L${BCSLIB_DIR}/cuda_dummy -lmarccuda "
|
|
||||||
MARCCUDALIBS2="-L${BCSLIB_DIR}/cuda -lmarccuda "
|
|
||||||
MARCCUDALIBS=$MARCCUDALIBS1
|
|
||||||
else
|
|
||||||
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
|
|
||||||
fi
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
BCSSOLVERLIBS=
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
|
||||||
else
|
|
||||||
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
|
||||||
fi
|
|
||||||
|
|
||||||
SECLIBS="-L$MARC_LIB -llapi"
|
|
||||||
|
|
||||||
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
|
||||||
$MKLLIB -L$MARC_MKL -liomp5 \
|
|
||||||
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a $HDF5_LIB "
|
|
||||||
|
|
||||||
SOLVERLIBS_DLL=${SOLVERLIBS}
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
|
|
||||||
fi
|
|
||||||
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
|
|
||||||
MRCLIBSPAR="$MARC_LIB/clib.a"
|
|
||||||
STUBS="$MARC_LIB/stubs.a "
|
|
||||||
MNFLIBS="$MARC_LIB/libmnf.a"
|
|
||||||
MDUSER="$MARC_LIB/md_user.a"
|
|
||||||
if test "X$MARC_SIMUFACT" != "X"
|
|
||||||
then
|
|
||||||
SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
|
|
||||||
else
|
|
||||||
SFLIB=" "
|
|
||||||
fi
|
|
||||||
|
|
||||||
OPENMP="-qopenmp"
|
|
||||||
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
LOAD_DLL=$LOAD
|
|
||||||
OPENMP=
|
|
||||||
LIBMNF=
|
|
||||||
OPENSSL=NONE
|
|
||||||
fi
|
|
||||||
|
|
||||||
SYSLIBS=" $OPENMP -lpthread -cxxlib"
|
|
||||||
|
|
||||||
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
|
|
||||||
# if test $MPITYPE = intelmpi
|
|
||||||
# then
|
|
||||||
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
|
|
||||||
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
|
|
||||||
# fi
|
|
||||||
if test $MPITYPE = intelmpi
|
|
||||||
then
|
|
||||||
SYSLIBS="-L${MPI_ROOT}/lib -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
SYSLIBSPAR=" "
|
|
||||||
|
|
||||||
MARC_DLL_CODES="runmarc.f"
|
|
||||||
|
|
||||||
|
|
||||||
BLAS_SRC="dzero.f icopy.f izero.f"
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
|
|
||||||
else
|
|
||||||
BLAS_SRC="ALL"
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
|
|
||||||
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
|
|
||||||
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
|
|
||||||
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
|
|
||||||
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
|
|
||||||
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
|
||||||
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
|
|
||||||
fi
|
|
||||||
|
|
||||||
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
|
|
||||||
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
|
|
||||||
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
MAXNUM=1000000
|
|
||||||
|
|
@ -1,774 +0,0 @@
|
||||||
#
|
|
||||||
# General definitions for the Marc 2018.1 version
|
|
||||||
#
|
|
||||||
# EM64T
|
|
||||||
#
|
|
||||||
# Linux RedHat 7.1 / SuSE 11 SP4
|
|
||||||
#
|
|
||||||
# 64 bit MPI version
|
|
||||||
#
|
|
||||||
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
|
|
||||||
# running on Intel(R) 64, Version 17.0.2.174 Build 20170213
|
|
||||||
#
|
|
||||||
# Intel(R) C Intel(R) 64 Compiler XE for applications
|
|
||||||
# running on Intel(R) 64, Version 17.0.2.174 Build 20170213
|
|
||||||
#
|
|
||||||
# To check the O/S level, type:
|
|
||||||
# uname -a
|
|
||||||
#
|
|
||||||
# Distributed parallel MPI libraries:
|
|
||||||
# 1) HP MPI 2.3
|
|
||||||
# To check the mpi version, type:
|
|
||||||
# mpirun -version
|
|
||||||
# 2) Intel MPI 2017.1
|
|
||||||
# To check the mpi version, type:
|
|
||||||
# mpiexec.hydra -version
|
|
||||||
#
|
|
||||||
# To check the Compiler level, type using the compiler
|
|
||||||
# installation path:
|
|
||||||
# ifort -V
|
|
||||||
# icc -V
|
|
||||||
#
|
|
||||||
# REMARKS : This file contains the definitions of variables used during
|
|
||||||
# compilation loading and use of the MARC programmes . The
|
|
||||||
# current machine type is identified by means of the variable
|
|
||||||
# MACHINE , defined below.
|
|
||||||
#
|
|
||||||
#
|
|
||||||
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
|
|
||||||
# DIRJOB : directory in which spawned jobs should look for Marc input
|
|
||||||
# MPI_ARCH: system architecture
|
|
||||||
# MPI_EPATH: path where executable resides
|
|
||||||
#
|
|
||||||
REVISION="VERSION, BUILD"
|
|
||||||
HOSTNAME=`hostname`
|
|
||||||
|
|
||||||
# find available memory in Mbyte on the machine
|
|
||||||
# can be set explicitly
|
|
||||||
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
|
|
||||||
|
|
||||||
# set _OEM_NASTRAN to 1 for MD Nastran build
|
|
||||||
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
|
|
||||||
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
|
|
||||||
|
|
||||||
# uncomment the following line for an autoforge build
|
|
||||||
#AUTOFORGE=1
|
|
||||||
AUTOFORGE=0
|
|
||||||
export AUTOFORGE
|
|
||||||
|
|
||||||
# integer size
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "" ; then
|
|
||||||
INTEGER_PATH=
|
|
||||||
else
|
|
||||||
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
|
||||||
fi
|
|
||||||
|
|
||||||
FCOMP=ifort
|
|
||||||
INTELPATH="/opt/intel/compilers_and_libraries_2017/linux"
|
|
||||||
|
|
||||||
# find the root directory of the compiler installation:
|
|
||||||
# - if ifort is found in $PATH, then the root directory is derived
|
|
||||||
# from the path to ifort
|
|
||||||
# - if ifort is not found in $PATH, the root directory is assumed
|
|
||||||
# to be $INTELPATH and the directory in which ifort is found is
|
|
||||||
# added to $PATH
|
|
||||||
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
|
|
||||||
if test -n "$FCOMPPATH"; then
|
|
||||||
# derive the root directory from $FCOMPPATH
|
|
||||||
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
|
|
||||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
|
||||||
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
|
|
||||||
fi
|
|
||||||
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
|
||||||
FCOMPROOT=
|
|
||||||
fi
|
|
||||||
elif test -d "$INTELPATH"; then
|
|
||||||
# check for compiler in $INTELPATH
|
|
||||||
if test -d "$INTELPATH/bin/intel64" -a \
|
|
||||||
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
|
|
||||||
FCOMPROOT="$INTELPATH"
|
|
||||||
PATH="$INTELPATH/bin/intel64:$PATH"
|
|
||||||
elif test -d "$INTELPATH/bin" -a \
|
|
||||||
-x "$INTELPATH/bin/$FCOMP"; then
|
|
||||||
FCOMPROOT="$INTELPATH"
|
|
||||||
PATH="$INTELPATH/bin:$PATH"
|
|
||||||
else
|
|
||||||
FCOMPROOT=
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
FCOMPROOT=
|
|
||||||
fi
|
|
||||||
|
|
||||||
# AEM
|
|
||||||
if test "$MARCDLLOUTDIR" = ""; then
|
|
||||||
DLLOUTDIR="$MARC_LIB"
|
|
||||||
else
|
|
||||||
DLLOUTDIR="$MARCDLLOUTDIR"
|
|
||||||
fi
|
|
||||||
|
|
||||||
# settings for MKL
|
|
||||||
if test "$IMKLDIR" = ""; then
|
|
||||||
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
|
|
||||||
else
|
|
||||||
MARC_MKL=$IMKLDIR/lib/intel64
|
|
||||||
fi
|
|
||||||
|
|
||||||
#
|
|
||||||
# settings for Metis
|
|
||||||
#
|
|
||||||
METIS="-I$METIS_SOURCE/include"
|
|
||||||
METISLIBS="$METISLIB_DIR/libmarcddm.a $METISLIB_DIR/libmarcmetis.a "
|
|
||||||
|
|
||||||
#
|
|
||||||
# settings for MPI
|
|
||||||
#
|
|
||||||
# RCP and RSH are used for parallel network runs
|
|
||||||
# replace with similar commands like rsh if needed
|
|
||||||
RCP=/usr/bin/scp
|
|
||||||
RSH=/usr/bin/ssh
|
|
||||||
#
|
|
||||||
|
|
||||||
|
|
||||||
MPI_DEFAULT=intelmpi
|
|
||||||
MPI_OTHER=hpmpi
|
|
||||||
|
|
||||||
MPITYPE=$MPI_DEFAULT
|
|
||||||
|
|
||||||
if test $AUTOFORGE
|
|
||||||
then
|
|
||||||
if test $AUTOFORGE = 1
|
|
||||||
then
|
|
||||||
MPITYPE=none
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
|
|
||||||
if test $MARC_MPITYPE
|
|
||||||
then
|
|
||||||
MPITYPE=$MARC_MPITYPE
|
|
||||||
fi
|
|
||||||
|
|
||||||
# always set MPITYPE to none for MD Nastran
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
MPITYPE=none
|
|
||||||
fi
|
|
||||||
|
|
||||||
# Edit following lines to build with GPGPU version of BCS Solver for
|
|
||||||
# NVIDIA platforms
|
|
||||||
#BCSGPUSOLVER=NONE
|
|
||||||
BCSGPUSOLVER=BCSGPU
|
|
||||||
|
|
||||||
# Edit following lines to set the openssl library
|
|
||||||
if test "$OPENSSL" != "NONE"
|
|
||||||
then
|
|
||||||
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
|
|
||||||
fi
|
|
||||||
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
|
|
||||||
|
|
||||||
# activate contact component build if flagged
|
|
||||||
AEM_DLL=0
|
|
||||||
if test "$AEM_BUILD" = "ON" ; then
|
|
||||||
AEM_DLL=1
|
|
||||||
LINK_MARC_DLL="-shared -fPIC"
|
|
||||||
EXT_DLL="so"
|
|
||||||
MPITYPE=none
|
|
||||||
MPI_OTHER=
|
|
||||||
BCSGPUSOLVER=NONE
|
|
||||||
MUMPSSOLVER=NONE
|
|
||||||
CASISOLVER=NONE
|
|
||||||
fi
|
|
||||||
|
|
||||||
SOLVERFLAGS=
|
|
||||||
if test "$BCSGPUSOLVER" = BCSGPU
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
|
|
||||||
BCS_DIR=bcsgpusolver
|
|
||||||
else
|
|
||||||
BCS_DIR=bcssolver
|
|
||||||
fi
|
|
||||||
#
|
|
||||||
# settings for MPI
|
|
||||||
#
|
|
||||||
DDM=
|
|
||||||
if test $MPITYPE != none
|
|
||||||
then
|
|
||||||
if test $MPITYPE = hpmpi
|
|
||||||
then
|
|
||||||
FCOMPMPI=mpif90
|
|
||||||
export MPI_ROOT=$MARC_HPMPI
|
|
||||||
export MPI_REMSH=$RSH
|
|
||||||
export MPI_F77=$FCOMP
|
|
||||||
ARCHITECTURE=linux_amd64
|
|
||||||
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
|
|
||||||
MPI_CLEAN=
|
|
||||||
export MPI_EPATH=$MARC_BIN
|
|
||||||
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
|
|
||||||
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
|
|
||||||
# Below line is moved in run_marc file
|
|
||||||
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
|
|
||||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
|
|
||||||
if test -n "$MSC_LICENSE_FILE"
|
|
||||||
then
|
|
||||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
|
|
||||||
fi
|
|
||||||
if test -n "$LM_LICENSE_FILE"
|
|
||||||
then
|
|
||||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
|
|
||||||
fi
|
|
||||||
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
|
|
||||||
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
|
|
||||||
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
|
|
||||||
RUN_JOB0=
|
|
||||||
fi
|
|
||||||
if test $MPITYPE = intelmpi
|
|
||||||
then
|
|
||||||
INTELMPI_VERSION=HYDRA
|
|
||||||
FCOMPMPI=mpiifort
|
|
||||||
MPI_ROOT=$MARC_INTELMPI
|
|
||||||
DDM="-I${MPI_ROOT}/include -DDDM"
|
|
||||||
PATH=$MPI_ROOT/bin:$PATH
|
|
||||||
export PATH
|
|
||||||
LD_LIBRARY_PATH=$MPI_ROOT/lib:$LD_LIBRARY_PATH
|
|
||||||
export LD_LIBRARY_PATH
|
|
||||||
if test $INTELMPI_VERSION = HYDRA
|
|
||||||
then
|
|
||||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec.hydra -genvall -n "
|
|
||||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec.hydra -genvall"
|
|
||||||
else
|
|
||||||
RUN_JOB1="${MPI_ROOT}/bin/mpiexec -n "
|
|
||||||
RUN_JOB2="${MPI_ROOT}/bin/mpiexec -configfile "
|
|
||||||
fi
|
|
||||||
RUN_JOB0=
|
|
||||||
MPI_CLEAN=
|
|
||||||
MPI_EPATH=$MARC_BIN
|
|
||||||
MPIR_HOME=$MPI_ROOT
|
|
||||||
MPICH_F77=$FCOMP
|
|
||||||
MPICH_F77LINKER=$FCOMP
|
|
||||||
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
|
|
||||||
I_MPI_PIN_DOMAIN=node
|
|
||||||
export I_MPI_PIN_DOMAIN
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
MPI_ROOT=$MARC_DUMMYMPI
|
|
||||||
export MPI_ROOT=$MARC_DUMMYMPI
|
|
||||||
DDM="-I$MPI_ROOT/include"
|
|
||||||
fi
|
|
||||||
|
|
||||||
#
|
|
||||||
# variables for the "maintain" script
|
|
||||||
#
|
|
||||||
|
|
||||||
MACHINENAME=LINUX
|
|
||||||
MACHINE64BIT=yes
|
|
||||||
MACHINE=Linux_EM64T
|
|
||||||
DEV=/dev/tape
|
|
||||||
GETLOG="whoami"
|
|
||||||
CLEAR="clear"
|
|
||||||
MY_UNAME=`uname -a`
|
|
||||||
|
|
||||||
# Edit following 2 lines to build with VKI Solver
|
|
||||||
#VKISOLVER=VKI
|
|
||||||
VKISOLVER=NONE
|
|
||||||
|
|
||||||
# Edit following 2 lines to build with CASI Solver
|
|
||||||
CASISOLVER=CASI
|
|
||||||
if test "$MARC_CASISOLVER" = "NONE" ; then
|
|
||||||
CASISOLVER=NONE
|
|
||||||
fi
|
|
||||||
#CASISOLVER=NONE
|
|
||||||
|
|
||||||
# Edit following 2 lines to build with MF2 Solver
|
|
||||||
MF2SOLVER=NONE
|
|
||||||
#MF2SOLVER=SERIAL
|
|
||||||
#MF2SOLVER=MF2PARALLEL
|
|
||||||
|
|
||||||
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
|
|
||||||
#INTELSOLVER=NONE
|
|
||||||
INTELSOLVER=PARDISO
|
|
||||||
|
|
||||||
# Edit following lines to build with MUMPS
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
#MUMPSSOLVER=NONE
|
|
||||||
MUMPSSOLVER=MUMPS
|
|
||||||
else
|
|
||||||
#MUMPSSOLVER=NONE
|
|
||||||
MUMPSSOLVER=MUMPS
|
|
||||||
fi
|
|
||||||
|
|
||||||
# Edit following 2 lines to build MARC dynamic shared library
|
|
||||||
MARC_DLL=MARC_DLL
|
|
||||||
MARC_DLL=NONE
|
|
||||||
|
|
||||||
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
VKISOLVER=NONE
|
|
||||||
CASISOLVER=NONE
|
|
||||||
MF2SOLVER=NONE
|
|
||||||
INTELSOLVER=NONE
|
|
||||||
MUMPSSOLVER=NONE
|
|
||||||
BCSGPUSOLVER=NONE
|
|
||||||
MARC_DLL=NONE
|
|
||||||
fi
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
VKISOLVER=NONE
|
|
||||||
CASISOLVER=NONE
|
|
||||||
MF2SOLVER=NONE
|
|
||||||
INTELSOLVER=NONE
|
|
||||||
MUMPSSOLVER=NONE
|
|
||||||
BCSGPUSOLVER=NONE
|
|
||||||
fi
|
|
||||||
|
|
||||||
#
|
|
||||||
# define Fortran and C compile syntax
|
|
||||||
#
|
|
||||||
if test "$VKISOLVER" = VKI
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$CASISOLVER" = CASI
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MF2SOLVER" = MF2PARALLEL
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
|
|
||||||
fi
|
|
||||||
if test "$MF2SOLVER" = MF2SERIAL
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$INTELSOLVER" = PARDISO
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MUMPSSOLVER" = MUMPS
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
if test "$MARC_DLL" = MARC_DLL
|
|
||||||
then
|
|
||||||
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
|
|
||||||
fi
|
|
||||||
|
|
||||||
LINK_OPT=
|
|
||||||
DEBUG_OPT=
|
|
||||||
C_DEBUG_OPT=
|
|
||||||
|
|
||||||
#Uncomment following line to build Marc in debuggable mode
|
|
||||||
MARCDEBUG=
|
|
||||||
#MARCDEBUG="ON"
|
|
||||||
|
|
||||||
if test "$MARCDEBUG" = "ON"
|
|
||||||
then
|
|
||||||
LINK_OPT="-debug -traceback"
|
|
||||||
DEBUG_OPT="-debug -traceback"
|
|
||||||
C_DEBUG_OPT="-debug -traceback"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
MARCCHECK=
|
|
||||||
#MARCCHECK="ON"
|
|
||||||
if test "$MARCCHECK" = "ON"
|
|
||||||
then
|
|
||||||
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
|
|
||||||
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
|
|
||||||
fi
|
|
||||||
|
|
||||||
MARCCODECOV=
|
|
||||||
#MARCCODECOV="ON"
|
|
||||||
|
|
||||||
MARCCODEPROF=
|
|
||||||
#MARCCODEPROF="ON"
|
|
||||||
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
I8FFLAGS=
|
|
||||||
I8DEFINES=
|
|
||||||
I8CDEFINES=
|
|
||||||
else
|
|
||||||
I8FFLAGS="-i8"
|
|
||||||
I8DEFINES="-DI64"
|
|
||||||
I8CDEFINES="-U_DOUBLE -D_SINGLE"
|
|
||||||
fi
|
|
||||||
|
|
||||||
MTHREAD=OPENMP
|
|
||||||
if test "$MARC_OPENMP" = "NONE" ; then
|
|
||||||
MTHREAD=NONE
|
|
||||||
fi
|
|
||||||
#MTHREAD=NONE
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
MTHREAD=NONE
|
|
||||||
fi
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
MTHREAD=NONE
|
|
||||||
CASISOLVER=NONE
|
|
||||||
VKISOLVER=NONE
|
|
||||||
MF2SOLVER=NONE
|
|
||||||
INTELSOLVER=NONE
|
|
||||||
BCSGPUSOLVER=NONE
|
|
||||||
OPENSSL_LIB=
|
|
||||||
MARC_DLL=NONE
|
|
||||||
METISLIBS=
|
|
||||||
fi
|
|
||||||
|
|
||||||
OMP_COMPAT=NO
|
|
||||||
OMP_COMPAT=YES
|
|
||||||
if test "$MTHREAD" = "NONE"
|
|
||||||
then
|
|
||||||
OMP_COMPAT=NO
|
|
||||||
fi
|
|
||||||
|
|
||||||
CDEFINES=
|
|
||||||
FDEFINES=
|
|
||||||
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
|
|
||||||
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
|
|
||||||
fi
|
|
||||||
|
|
||||||
FDEFINES="$FDEFINES -D_IMPLICITNONE"
|
|
||||||
|
|
||||||
if test "$_OEM_NASTRAN" -eq 0
|
|
||||||
then
|
|
||||||
FDEFINES="$FDEFINES -DMKL -DOPENMP"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$OMP_COMPAT" = "YES"
|
|
||||||
then
|
|
||||||
FDEFINES="$FDEFINES -DOMP_COMPAT"
|
|
||||||
fi
|
|
||||||
|
|
||||||
# -D_MSCMARC
|
|
||||||
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
|
|
||||||
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
|
|
||||||
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
FDEFINES="$FDEFINES -D_AEMNL -DAAA"
|
|
||||||
CDEFINES="$CDEFINES -D_AEMNL -DAAA"
|
|
||||||
fi
|
|
||||||
|
|
||||||
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
CINCL="$CINCL -I../../include"
|
|
||||||
fi
|
|
||||||
|
|
||||||
CC_OPT=
|
|
||||||
if test "$MTHREAD" = "OPENMP"
|
|
||||||
then
|
|
||||||
CC_OPT=" $CC_OPT -qopenmp"
|
|
||||||
fi
|
|
||||||
|
|
||||||
CC="icc -c $CC_OPT -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
CCLOW="icc -c $CC_OPT -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
CCHIGH="icc -c $CC_OPT -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
|
|
||||||
if test "$MARCDEBUG" = "ON"
|
|
||||||
then
|
|
||||||
CC="icc -c $CC_OPT -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
CCLOW="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
CCHIGH="icc $CC_OPT -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
|
||||||
fi
|
|
||||||
|
|
||||||
LOAD_CC="icc $CC_OPT -O1 -DLinux -DLINUX -DLinux_intel"
|
|
||||||
CCT="$CC"
|
|
||||||
CCTLOW="$CCLOW"
|
|
||||||
CCTHIGH="$CCHIGH"
|
|
||||||
|
|
||||||
#PROFILE="-Mprof=func"
|
|
||||||
#PROFILE="-Mprof=lines"
|
|
||||||
#PROFILE="-Mprof=func,mpi"
|
|
||||||
PROFILE=
|
|
||||||
#PROFILE="-init=snan,arrays -CB -traceback -fpe0 -fp-stack-check -check all -check uninit -ftrapuv"
|
|
||||||
if test "$MARCCODECOV" = "ON"
|
|
||||||
then
|
|
||||||
PROFILE="-prof-gen=srcpos"
|
|
||||||
fi
|
|
||||||
if test "$MARCCODEPROF" = "ON"
|
|
||||||
then
|
|
||||||
PROFILE=" $PROFILE -pg"
|
|
||||||
fi
|
|
||||||
|
|
||||||
FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB -fp-model source"
|
|
||||||
if test "$MTHREAD" = "OPENMP"
|
|
||||||
then
|
|
||||||
FORT_OPT=" $FORT_OPT -qopenmp"
|
|
||||||
if test "$OMP_COMPAT" = "YES"
|
|
||||||
then
|
|
||||||
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
# FORT_OPT=" $FORT_OPT -auto "
|
|
||||||
FORT_OPT=" $FORT_OPT -save -zero"
|
|
||||||
fi
|
|
||||||
|
|
||||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
|
||||||
# for compiling free form f90 files. high opt, integer(4)
|
|
||||||
FORTF90="$FCOMP -c -O3"
|
|
||||||
|
|
||||||
if test "$MARCDEBUG" = "ON"
|
|
||||||
then
|
|
||||||
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
|
||||||
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
|
||||||
$MUMPS_INCLUDE $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
|
||||||
fi
|
|
||||||
|
|
||||||
FORTLOWT="$FORTLOW"
|
|
||||||
FORTRANT="$FORTRAN"
|
|
||||||
FORTHIGHT="$FORTHIGH"
|
|
||||||
|
|
||||||
FORTRANMNF="$FCOMP -c $FDEFINES "
|
|
||||||
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
|
|
||||||
|
|
||||||
if test $MPITYPE != none
|
|
||||||
then
|
|
||||||
if test $MPITYPE = hpmpi
|
|
||||||
then
|
|
||||||
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
|
||||||
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
|
||||||
fi
|
|
||||||
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
|
|
||||||
# if test $MPITYPE = intelmpi
|
|
||||||
# then
|
|
||||||
# INCLUDEMPI="-I$MPI_ROOT/include -I$VT_ROOT/include"
|
|
||||||
# LOAD="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
|
||||||
# LOADT="$MPI_ROOT/bin/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
|
||||||
# fi
|
|
||||||
if test $MPITYPE = intelmpi
|
|
||||||
then
|
|
||||||
LOAD="ifort $PROFILE $LINK_OPT -o "
|
|
||||||
LOADT="ifort $PROFILE $LINK_OPT -o "
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
LOAD="$FCOMP $LINK_OPT -o "
|
|
||||||
LOADT="$FCOMP $LINK_OPT -o "
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MARC_DLL" = MARC_DLL
|
|
||||||
then
|
|
||||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
|
||||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
|
||||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
|
||||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
|
||||||
CC="$CC -fPIC"
|
|
||||||
CCMNF="$CCMNF -fPIC"
|
|
||||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
|
|
||||||
LINK_MARC_DLL="-shared -fPIC"
|
|
||||||
LOAD_DLL=$LOAD
|
|
||||||
LOADT_DLL=$LOADT
|
|
||||||
EXT_DLL="so"
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
FORTLOW="$FORTLOW -fpp -fPIC"
|
|
||||||
FORTRAN="$FORTRAN -fpp -fPIC"
|
|
||||||
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
|
||||||
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
|
||||||
CC="$CC -fPIC"
|
|
||||||
CCMNF="$CCMNF -fPIC"
|
|
||||||
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide"
|
|
||||||
LINK_MARC_DLL="-shared -fPIC"
|
|
||||||
LOAD_DLL=$LOAD
|
|
||||||
LOADT_DLL=$LOADT
|
|
||||||
EXT_DLL="so"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
XLIBS="-L/usr/X11/lib -lX11 "
|
|
||||||
|
|
||||||
#
|
|
||||||
# define archive and ranlib syntax
|
|
||||||
#
|
|
||||||
|
|
||||||
ARC="ar rvl"
|
|
||||||
ARD="ar dvl"
|
|
||||||
ARX="ar xl"
|
|
||||||
RAN=""
|
|
||||||
|
|
||||||
#
|
|
||||||
# choose which libraries you want to use ( e.g. blas )
|
|
||||||
#
|
|
||||||
|
|
||||||
if test "$VKISOLVER" = VKI
|
|
||||||
then
|
|
||||||
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
|
|
||||||
else
|
|
||||||
VKISOLVERLIBS=
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$CASISOLVER" = CASI
|
|
||||||
then
|
|
||||||
CASISOLVERLIBS="$CASILIB_DIR/libmarccasi.a $CASILIB_DIR/libcasi.a"
|
|
||||||
else
|
|
||||||
CASISOLVERLIBS=
|
|
||||||
fi
|
|
||||||
|
|
||||||
MF2SOLVERLIBS=
|
|
||||||
if test "$MF2SOLVER" = MF2PARALLEL
|
|
||||||
then
|
|
||||||
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
|
|
||||||
$MARC_LIB/mf2parallel/libsym.a \
|
|
||||||
$MARC_LIB/mf2parallel/libmet.a \
|
|
||||||
$MARC_LIB/mf2parallel/libmf2.a \
|
|
||||||
$MARC_LIB/mf2parallel/libgauss.a \
|
|
||||||
$MARC_LIB/mf2parallel/libmf2.a \
|
|
||||||
$MARC_LIB/mf2parallel/libgauss.a \
|
|
||||||
$MARC_LIB/mf2parallel/libnum.a \
|
|
||||||
$MARC_LIB/mf2parallel/libutl.a \
|
|
||||||
$MARC_LIB/mf2parallel/libr8.a \
|
|
||||||
$MARC_LIB/mf2parallel/libz.a "
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MUMPSSOLVER" = MUMPS
|
|
||||||
then
|
|
||||||
MUMPSSOLVERLIBS="$MUMPSLIB_DIR/libmumps.a"
|
|
||||||
if test $MPITYPE = none
|
|
||||||
then
|
|
||||||
MUMPSSOLVERLIBS2=
|
|
||||||
echo hello > /dev/null
|
|
||||||
fi
|
|
||||||
if test $MPITYPE = intelmpi
|
|
||||||
then
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
|
|
||||||
else
|
|
||||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
if test $MPITYPE = hpmpi
|
|
||||||
then
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a"
|
|
||||||
else
|
|
||||||
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a"
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
else
|
|
||||||
MUMPSSOLVERLIBS=
|
|
||||||
MUMPSSOLVERLIBS2=
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$BCSGPUSOLVER" = BCSGPU
|
|
||||||
then
|
|
||||||
BCSSOLVERLIBS="${BCSLIB_DIR}/bcsgpulib.a "
|
|
||||||
MARCCUDALIBS1="-L${BCSLIB_DIR}/cuda_dummy -lmarccuda "
|
|
||||||
MARCCUDALIBS2="-L${BCSLIB_DIR}/cuda -lmarccuda "
|
|
||||||
MARCCUDALIBS=$MARCCUDALIBS1
|
|
||||||
else
|
|
||||||
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
|
|
||||||
fi
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
BCSSOLVERLIBS=
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
|
||||||
else
|
|
||||||
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
|
||||||
fi
|
|
||||||
|
|
||||||
SECLIBS="-L$MARC_LIB -llapi"
|
|
||||||
|
|
||||||
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
|
||||||
$MKLLIB -L$MARC_MKL -liomp5 \
|
|
||||||
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
|
|
||||||
|
|
||||||
SOLVERLIBS_DLL=${SOLVERLIBS}
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
SOLVERLIBS_DLL="$MKLLIB -L$MARC_MKL -liomp5 $MARC_LIB/blas_src.a"
|
|
||||||
fi
|
|
||||||
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
|
|
||||||
MRCLIBSPAR="$MARC_LIB/clib.a"
|
|
||||||
STUBS="$MARC_LIB/stubs.a "
|
|
||||||
MNFLIBS="$MARC_LIB/libmnf.a"
|
|
||||||
MDUSER="$MARC_LIB/md_user.a"
|
|
||||||
if test "X$MARC_SIMUFACT" != "X"
|
|
||||||
then
|
|
||||||
SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
|
|
||||||
else
|
|
||||||
SFLIB=" "
|
|
||||||
fi
|
|
||||||
|
|
||||||
OPENMP="-qopenmp"
|
|
||||||
|
|
||||||
if test "$AEM_DLL" -eq 1
|
|
||||||
then
|
|
||||||
LOAD_DLL=$LOAD
|
|
||||||
OPENMP=
|
|
||||||
LIBMNF=
|
|
||||||
OPENSSL=NONE
|
|
||||||
fi
|
|
||||||
|
|
||||||
SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
|
|
||||||
|
|
||||||
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
|
|
||||||
# if test $MPITYPE = intelmpi
|
|
||||||
# then
|
|
||||||
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
|
|
||||||
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
|
|
||||||
# fi
|
|
||||||
if test $MPITYPE = intelmpi
|
|
||||||
then
|
|
||||||
SYSLIBS="-L${MPI_ROOT}/lib -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
|
|
||||||
fi
|
|
||||||
|
|
||||||
|
|
||||||
SYSLIBSPAR=" "
|
|
||||||
|
|
||||||
MARC_DLL_CODES="runmarc.f"
|
|
||||||
|
|
||||||
|
|
||||||
BLAS_SRC="dzero.f icopy.f izero.f"
|
|
||||||
if test "$_OEM_NASTRAN" -ne 0
|
|
||||||
then
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
|
||||||
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
|
|
||||||
else
|
|
||||||
BLAS_SRC="ALL"
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
|
|
||||||
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
|
|
||||||
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
|
|
||||||
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
|
|
||||||
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
|
|
||||||
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
|
|
||||||
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
|
||||||
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
|
|
||||||
fi
|
|
||||||
|
|
||||||
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
|
|
||||||
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
|
|
||||||
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
|
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
MAXNUM=1000000
|
|
||||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
|
@ -1,5 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
# This script opens a window running an editor.
|
|
||||||
# The command to invoke the editor is specified during DAMASK installation
|
|
||||||
|
|
||||||
%EDITOR% $*
|
|
||||||
|
|
@ -1,18 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
# This script opens a window running an editor. The default window is an
|
|
||||||
# xterm, and the default editor is vi. These may be customized.
|
|
||||||
|
|
||||||
dir=
|
|
||||||
for d in /usr/bin /usr/bin/X11; do
|
|
||||||
if test -x "$d/xterm"; then
|
|
||||||
dir="$d"
|
|
||||||
break
|
|
||||||
fi
|
|
||||||
done
|
|
||||||
|
|
||||||
if test -z "$dir"; then
|
|
||||||
echo "$0: Could not find xterm"
|
|
||||||
exit 1
|
|
||||||
fi
|
|
||||||
|
|
||||||
"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $*
|
|
||||||
|
|
@ -1,8 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
|
|
||||||
if [ "$1" = "" ]; then
|
|
||||||
echo "usage: $0 job_name"
|
|
||||||
exit 1
|
|
||||||
fi
|
|
||||||
|
|
||||||
echo STOP > $1.cnt
|
|
||||||
|
|
@ -1,8 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
|
|
||||||
if [ "$1" = "" ]; then
|
|
||||||
echo "usage: $0 job_name"
|
|
||||||
exit 1
|
|
||||||
fi
|
|
||||||
|
|
||||||
echo STOP > $1.cnt
|
|
||||||
|
|
@ -1,8 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
|
|
||||||
if [ "$1" = "" ]; then
|
|
||||||
echo "usage: $0 job_name"
|
|
||||||
exit 1
|
|
||||||
fi
|
|
||||||
|
|
||||||
echo STOP > $1.cnt
|
|
||||||
|
|
@ -1,8 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
|
|
||||||
if [ "$1" = "" ]; then
|
|
||||||
echo "usage: $0 job_name"
|
|
||||||
exit 1
|
|
||||||
fi
|
|
||||||
|
|
||||||
echo STOP > $1.cnt
|
|
||||||
|
|
@ -1,186 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
#
|
|
||||||
# The exit status of this script is read by Mentat.
|
|
||||||
# Normal exit status is 0.
|
|
||||||
#
|
|
||||||
|
|
||||||
DIR=/tmp/msc/marc2018.1
|
|
||||||
if test $MARCDIR1
|
|
||||||
then
|
|
||||||
DIR=$MARCDIR1
|
|
||||||
fi
|
|
||||||
|
|
||||||
if test -z "$DIR"; then
|
|
||||||
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
|
||||||
DIRSCRIPT=`dirname $REALCOM`
|
|
||||||
case $DIRSCRIPT in
|
|
||||||
\/*)
|
|
||||||
;;
|
|
||||||
*)
|
|
||||||
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
|
||||||
;;
|
|
||||||
esac
|
|
||||||
. $DIRSCRIPT/getarch
|
|
||||||
|
|
||||||
DIR="$MENTAT_MARCDIR"
|
|
||||||
fi
|
|
||||||
|
|
||||||
SRCEXT=.f
|
|
||||||
SRCEXTC=.F
|
|
||||||
RSTEXT=.t08
|
|
||||||
PSTEXT=.t19
|
|
||||||
PSTEXTB=.t16
|
|
||||||
VWFCEXT=.vfs
|
|
||||||
|
|
||||||
slv=$1
|
|
||||||
version=$2
|
|
||||||
ndom_fea_solver=$3
|
|
||||||
ndom_preprocessor=$4
|
|
||||||
hostfile=$5
|
|
||||||
compat=$6
|
|
||||||
job=$7
|
|
||||||
srcfile=$8
|
|
||||||
srcmeth=$9
|
|
||||||
shift 9 # cannot use $10, $11, ...
|
|
||||||
restart=$1
|
|
||||||
postfile=$2
|
|
||||||
viewfactorsfile=$3
|
|
||||||
autorst=$4
|
|
||||||
copy_datfile="-ci $5"
|
|
||||||
copy_postfile="-cr $6"
|
|
||||||
scr_dir=$7
|
|
||||||
dcoup=$8
|
|
||||||
assem_recov_nthread=$9
|
|
||||||
shift 9 # cannot use $10, $11, ...
|
|
||||||
nthread=$1
|
|
||||||
nsolver=$2
|
|
||||||
mode=$3
|
|
||||||
gpu=$4
|
|
||||||
|
|
||||||
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
|
||||||
slv="-iam sfm"
|
|
||||||
else
|
|
||||||
slv=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
|
||||||
nprocds="-nprocds $ndom_fea_solver"
|
|
||||||
else
|
|
||||||
nprocd=""
|
|
||||||
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
|
||||||
nprocd="-nprocd $ndom_preprocessor"
|
|
||||||
else
|
|
||||||
nprocd=""
|
|
||||||
fi
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
|
||||||
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
|
||||||
case "$srcmeth" in
|
|
||||||
-)
|
|
||||||
srcfile="-u $srcfile"
|
|
||||||
;;
|
|
||||||
compsave)
|
|
||||||
srcfile="-u $srcfile -save y"
|
|
||||||
;;
|
|
||||||
runsaved)
|
|
||||||
srcfile="-prog $srcfile"
|
|
||||||
;;
|
|
||||||
esac
|
|
||||||
else
|
|
||||||
srcfile=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
|
||||||
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
|
||||||
restart="-r $restart"
|
|
||||||
else
|
|
||||||
restart=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
|
||||||
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
|
||||||
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
|
||||||
postfile="-pid $postfile"
|
|
||||||
else
|
|
||||||
postfile=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
|
||||||
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
|
||||||
viewfactorsfile="-vf $viewfactorsfile"
|
|
||||||
else
|
|
||||||
viewfactorsfile=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
|
||||||
hostfile="-ho $hostfile"
|
|
||||||
else
|
|
||||||
hostfile=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
|
||||||
compat="-co $compat"
|
|
||||||
else
|
|
||||||
compat=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
|
||||||
scr_dir="-sd $scr_dir"
|
|
||||||
else
|
|
||||||
scr_dir=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
|
||||||
dcoup="-dcoup $dcoup"
|
|
||||||
else
|
|
||||||
dcoup=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
|
||||||
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
|
||||||
else
|
|
||||||
assem_recov_nthread=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
|
||||||
nthread="-nthread $nthread"
|
|
||||||
else
|
|
||||||
nthread=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
|
||||||
nsolver="-nsolver $nsolver"
|
|
||||||
else
|
|
||||||
nsolver=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
case "$mode" in
|
|
||||||
4) mode="-mo i4" ;;
|
|
||||||
8) mode="-mo i8" ;;
|
|
||||||
*) mode= ;;
|
|
||||||
esac
|
|
||||||
|
|
||||||
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
|
||||||
gpu="-gpu $gpu"
|
|
||||||
else
|
|
||||||
gpu=""
|
|
||||||
fi
|
|
||||||
|
|
||||||
rm -f $job.cnt
|
|
||||||
rm -f $job.sts
|
|
||||||
rm -f $job.out
|
|
||||||
rm -f $job.log
|
|
||||||
|
|
||||||
# To prevent a mismatch with the python version used by the solver
|
|
||||||
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
|
||||||
# unset environment variables PYTHONHOME and PYTHONPATH
|
|
||||||
unset PYTHONHOME
|
|
||||||
unset PYTHONPATH
|
|
||||||
|
|
||||||
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
|
||||||
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
|
||||||
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
|
||||||
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
|
||||||
sleep 1
|
|
||||||
exit 0
|
|
||||||
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Reference in New Issue