Merge branch 'spring-cleaning' into 'development'
spring cleaning See merge request damask/DAMASK!360
This commit is contained in:
commit
565dab1206
153
.gitlab-ci.yml
153
.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
|
||||||
|
@ -252,34 +186,25 @@ 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
|
- J2_plasticBehavior/test.py
|
||||||
|
@ -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
|
||||||
|
@ -304,8 +229,8 @@ 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/deployMe.sh $CI_COMMIT_SHA
|
||||||
|
@ -313,18 +238,18 @@ createTar:
|
||||||
- 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 $CI_PIPELINE_ID"
|
||||||
when: always
|
when: always
|
||||||
|
|
2
LICENSE
2
LICENSE
|
@ -1,4 +1,4 @@
|
||||||
Copyright 2011-21 Max-Planck-Institut für Eisenforschung GmbH
|
Copyright 2011-2021 Max-Planck-Institut für Eisenforschung GmbH
|
||||||
|
|
||||||
DAMASK is free software: you can redistribute it and/or modify
|
DAMASK is free software: you can redistribute it and/or modify
|
||||||
it under the terms of the GNU General Public License as published by
|
it under the terms of the GNU General Public License as published by
|
||||||
|
|
18
Makefile
18
Makefile
|
@ -1,26 +1,24 @@
|
||||||
SHELL = /bin/sh
|
SHELL = /bin/sh
|
||||||
########################################################################################
|
|
||||||
# Makefile for the installation of DAMASK
|
###################################################################################################
|
||||||
########################################################################################
|
# One-command-build invoking CMake (meant for developers, should not be part of the distribution)
|
||||||
|
###################################################################################################
|
||||||
|
|
||||||
.PHONY: all
|
.PHONY: all
|
||||||
all: grid mesh processing
|
all: grid mesh
|
||||||
|
|
||||||
.PHONY: grid
|
.PHONY: grid
|
||||||
grid:
|
grid:
|
||||||
@cmake -B build/grid -DDAMASK_SOLVER=GRID -DCMAKE_INSTALL_PREFIX=${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 ${MAKEFLAGS}
|
|
||||||
|
|
2
PRIVATE
2
PRIVATE
|
@ -1 +1 @@
|
||||||
Subproject commit 6abcd3dba91f37c747eae04c6695949e819ec54b
|
Subproject commit f1ac733d5eb90de1cdcaf79a261157c9034f8136
|
|
@ -117,6 +117,8 @@ set (COMPILE_FLAGS "${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
|
||||||
|
|
|
@ -1,3 +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
|
|
|
@ -1,7 +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
|
|
||||||
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
|
|
||||||
21 of 2
|
|
||||||
10 of 6
|
|
||||||
24 of 2
|
|
||||||
6 of 6
|
|
||||||
538 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
|
|
||||||
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
|
|
||||||
21 of 2
|
|
||||||
10 of 6
|
|
||||||
24 of 2
|
|
||||||
6 of 6
|
|
||||||
539 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
|
|
||||||
541 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
|
|
||||||
572 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
|
|
||||||
604 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
|
|
||||||
637 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
|
|
||||||
701 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
|
|
||||||
798 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
|
|
||||||
8623 of 2
|
|
|
@ -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 2,4 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
|
|
||||||
microstructures 2
|
|
||||||
8623 of 1
|
|
||||||
2 of 4
|
|
||||||
29 of 1
|
|
||||||
4 of 4
|
|
||||||
27 of 1
|
|
||||||
6 of 4
|
|
||||||
26 of 1
|
|
||||||
6 of 4
|
|
||||||
27 of 1
|
|
||||||
4 of 4
|
|
||||||
29 of 1
|
|
||||||
2 of 4
|
|
||||||
798 of 1
|
|
||||||
2 of 4
|
|
||||||
28 of 1
|
|
||||||
6 of 4
|
|
||||||
25 of 1
|
|
||||||
8 of 4
|
|
||||||
24 of 1
|
|
||||||
8 of 4
|
|
||||||
23 of 1
|
|
||||||
10 of 4
|
|
||||||
22 of 1
|
|
||||||
10 of 4
|
|
||||||
23 of 1
|
|
||||||
8 of 4
|
|
||||||
24 of 1
|
|
||||||
8 of 4
|
|
||||||
25 of 1
|
|
||||||
6 of 4
|
|
||||||
28 of 1
|
|
||||||
2 of 4
|
|
||||||
701 of 1
|
|
||||||
4 of 4
|
|
||||||
26 of 1
|
|
||||||
8 of 4
|
|
||||||
23 of 1
|
|
||||||
10 of 4
|
|
||||||
22 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
22 of 1
|
|
||||||
10 of 4
|
|
||||||
23 of 1
|
|
||||||
8 of 4
|
|
||||||
26 of 1
|
|
||||||
4 of 4
|
|
||||||
637 of 1
|
|
||||||
2 of 4
|
|
||||||
27 of 1
|
|
||||||
8 of 4
|
|
||||||
23 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
23 of 1
|
|
||||||
8 of 4
|
|
||||||
27 of 1
|
|
||||||
2 of 4
|
|
||||||
604 of 1
|
|
||||||
6 of 4
|
|
||||||
24 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
24 of 1
|
|
||||||
6 of 4
|
|
||||||
572 of 1
|
|
||||||
2 of 4
|
|
||||||
27 of 1
|
|
||||||
8 of 4
|
|
||||||
23 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
17 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
17 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
23 of 1
|
|
||||||
8 of 4
|
|
||||||
27 of 1
|
|
||||||
2 of 4
|
|
||||||
541 of 1
|
|
||||||
4 of 4
|
|
||||||
26 of 1
|
|
||||||
8 of 4
|
|
||||||
22 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
17 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
17 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
22 of 1
|
|
||||||
8 of 4
|
|
||||||
26 of 1
|
|
||||||
4 of 4
|
|
||||||
539 of 1
|
|
||||||
6 of 4
|
|
||||||
24 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
17 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
17 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
24 of 1
|
|
||||||
6 of 4
|
|
||||||
538 of 1
|
|
||||||
6 of 4
|
|
||||||
24 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
17 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
17 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
24 of 1
|
|
||||||
6 of 4
|
|
||||||
539 of 1
|
|
||||||
4 of 4
|
|
||||||
26 of 1
|
|
||||||
8 of 4
|
|
||||||
22 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
17 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
17 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
22 of 1
|
|
||||||
8 of 4
|
|
||||||
26 of 1
|
|
||||||
4 of 4
|
|
||||||
541 of 1
|
|
||||||
2 of 4
|
|
||||||
27 of 1
|
|
||||||
8 of 4
|
|
||||||
23 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
17 of 1
|
|
||||||
16 of 4
|
|
||||||
16 of 1
|
|
||||||
16 of 4
|
|
||||||
17 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
23 of 1
|
|
||||||
8 of 4
|
|
||||||
27 of 1
|
|
||||||
2 of 4
|
|
||||||
572 of 1
|
|
||||||
6 of 4
|
|
||||||
24 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
24 of 1
|
|
||||||
6 of 4
|
|
||||||
604 of 1
|
|
||||||
2 of 4
|
|
||||||
27 of 1
|
|
||||||
8 of 4
|
|
||||||
23 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
19 of 1
|
|
||||||
14 of 4
|
|
||||||
18 of 1
|
|
||||||
14 of 4
|
|
||||||
19 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
23 of 1
|
|
||||||
8 of 4
|
|
||||||
27 of 1
|
|
||||||
2 of 4
|
|
||||||
637 of 1
|
|
||||||
4 of 4
|
|
||||||
26 of 1
|
|
||||||
8 of 4
|
|
||||||
23 of 1
|
|
||||||
10 of 4
|
|
||||||
22 of 1
|
|
||||||
10 of 4
|
|
||||||
21 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
20 of 1
|
|
||||||
12 of 4
|
|
||||||
21 of 1
|
|
||||||
10 of 4
|
|
||||||
22 of 1
|
|
||||||
10 of 4
|
|
||||||
23 of 1
|
|
||||||
8 of 4
|
|
||||||
26 of 1
|
|
||||||
4 of 4
|
|
||||||
701 of 1
|
|
||||||
2 of 4
|
|
||||||
28 of 1
|
|
||||||
6 of 4
|
|
||||||
25 of 1
|
|
||||||
8 of 4
|
|
||||||
24 of 1
|
|
||||||
8 of 4
|
|
||||||
23 of 1
|
|
||||||
10 of 4
|
|
||||||
22 of 1
|
|
||||||
10 of 4
|
|
||||||
23 of 1
|
|
||||||
8 of 4
|
|
||||||
24 of 1
|
|
||||||
8 of 4
|
|
||||||
25 of 1
|
|
||||||
6 of 4
|
|
||||||
28 of 1
|
|
||||||
2 of 4
|
|
||||||
798 of 1
|
|
||||||
2 of 4
|
|
||||||
29 of 1
|
|
||||||
4 of 4
|
|
||||||
27 of 1
|
|
||||||
6 of 4
|
|
||||||
26 of 1
|
|
||||||
6 of 4
|
|
||||||
27 of 1
|
|
||||||
4 of 4
|
|
||||||
29 of 1
|
|
||||||
2 of 4
|
|
||||||
8623 of 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 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
|
|
||||||
8623 of 1
|
|
||||||
2 of 3
|
|
||||||
29 of 1
|
|
||||||
4 of 3
|
|
||||||
27 of 1
|
|
||||||
6 of 3
|
|
||||||
26 of 1
|
|
||||||
6 of 3
|
|
||||||
27 of 1
|
|
||||||
4 of 3
|
|
||||||
29 of 1
|
|
||||||
2 of 3
|
|
||||||
798 of 1
|
|
||||||
2 of 3
|
|
||||||
28 of 1
|
|
||||||
6 of 3
|
|
||||||
25 of 1
|
|
||||||
8 of 3
|
|
||||||
24 of 1
|
|
||||||
8 of 3
|
|
||||||
23 of 1
|
|
||||||
10 of 3
|
|
||||||
22 of 1
|
|
||||||
10 of 3
|
|
||||||
23 of 1
|
|
||||||
8 of 3
|
|
||||||
24 of 1
|
|
||||||
8 of 3
|
|
||||||
25 of 1
|
|
||||||
6 of 3
|
|
||||||
28 of 1
|
|
||||||
2 of 3
|
|
||||||
701 of 1
|
|
||||||
4 of 3
|
|
||||||
26 of 1
|
|
||||||
8 of 3
|
|
||||||
23 of 1
|
|
||||||
10 of 3
|
|
||||||
22 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
22 of 1
|
|
||||||
10 of 3
|
|
||||||
23 of 1
|
|
||||||
8 of 3
|
|
||||||
26 of 1
|
|
||||||
4 of 3
|
|
||||||
637 of 1
|
|
||||||
2 of 3
|
|
||||||
27 of 1
|
|
||||||
8 of 3
|
|
||||||
23 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
23 of 1
|
|
||||||
8 of 3
|
|
||||||
27 of 1
|
|
||||||
2 of 3
|
|
||||||
604 of 1
|
|
||||||
6 of 3
|
|
||||||
24 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
24 of 1
|
|
||||||
6 of 3
|
|
||||||
572 of 1
|
|
||||||
2 of 3
|
|
||||||
27 of 1
|
|
||||||
8 of 3
|
|
||||||
23 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
17 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
17 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
23 of 1
|
|
||||||
8 of 3
|
|
||||||
27 of 1
|
|
||||||
2 of 3
|
|
||||||
541 of 1
|
|
||||||
4 of 3
|
|
||||||
26 of 1
|
|
||||||
8 of 3
|
|
||||||
22 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
17 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
17 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
22 of 1
|
|
||||||
8 of 3
|
|
||||||
26 of 1
|
|
||||||
4 of 3
|
|
||||||
539 of 1
|
|
||||||
6 of 3
|
|
||||||
24 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
17 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
17 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
24 of 1
|
|
||||||
6 of 3
|
|
||||||
538 of 1
|
|
||||||
6 of 3
|
|
||||||
24 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
17 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
17 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
24 of 1
|
|
||||||
6 of 3
|
|
||||||
539 of 1
|
|
||||||
4 of 3
|
|
||||||
26 of 1
|
|
||||||
8 of 3
|
|
||||||
22 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
17 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
17 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
22 of 1
|
|
||||||
8 of 3
|
|
||||||
26 of 1
|
|
||||||
4 of 3
|
|
||||||
541 of 1
|
|
||||||
2 of 3
|
|
||||||
27 of 1
|
|
||||||
8 of 3
|
|
||||||
23 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
17 of 1
|
|
||||||
16 of 3
|
|
||||||
16 of 1
|
|
||||||
16 of 3
|
|
||||||
17 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
23 of 1
|
|
||||||
8 of 3
|
|
||||||
27 of 1
|
|
||||||
2 of 3
|
|
||||||
572 of 1
|
|
||||||
6 of 3
|
|
||||||
24 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
24 of 1
|
|
||||||
6 of 3
|
|
||||||
604 of 1
|
|
||||||
2 of 3
|
|
||||||
27 of 1
|
|
||||||
8 of 3
|
|
||||||
23 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
19 of 1
|
|
||||||
14 of 3
|
|
||||||
18 of 1
|
|
||||||
14 of 3
|
|
||||||
19 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
23 of 1
|
|
||||||
8 of 3
|
|
||||||
27 of 1
|
|
||||||
2 of 3
|
|
||||||
637 of 1
|
|
||||||
4 of 3
|
|
||||||
26 of 1
|
|
||||||
8 of 3
|
|
||||||
23 of 1
|
|
||||||
10 of 3
|
|
||||||
22 of 1
|
|
||||||
10 of 3
|
|
||||||
21 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
20 of 1
|
|
||||||
12 of 3
|
|
||||||
21 of 1
|
|
||||||
10 of 3
|
|
||||||
22 of 1
|
|
||||||
10 of 3
|
|
||||||
23 of 1
|
|
||||||
8 of 3
|
|
||||||
26 of 1
|
|
||||||
4 of 3
|
|
||||||
701 of 1
|
|
||||||
2 of 3
|
|
||||||
28 of 1
|
|
||||||
6 of 3
|
|
||||||
25 of 1
|
|
||||||
8 of 3
|
|
||||||
24 of 1
|
|
||||||
8 of 3
|
|
||||||
23 of 1
|
|
||||||
10 of 3
|
|
||||||
22 of 1
|
|
||||||
10 of 3
|
|
||||||
23 of 1
|
|
||||||
8 of 3
|
|
||||||
24 of 1
|
|
||||||
8 of 3
|
|
||||||
25 of 1
|
|
||||||
6 of 3
|
|
||||||
28 of 1
|
|
||||||
2 of 3
|
|
||||||
798 of 1
|
|
||||||
2 of 3
|
|
||||||
29 of 1
|
|
||||||
4 of 3
|
|
||||||
27 of 1
|
|
||||||
6 of 3
|
|
||||||
26 of 1
|
|
||||||
6 of 3
|
|
||||||
27 of 1
|
|
||||||
4 of 3
|
|
||||||
29 of 1
|
|
||||||
2 of 3
|
|
||||||
8623 of 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 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
|
|
||||||
microstructures 2
|
|
||||||
8623 of 1
|
|
||||||
2 of 5
|
|
||||||
29 of 1
|
|
||||||
4 of 5
|
|
||||||
27 of 1
|
|
||||||
6 of 5
|
|
||||||
26 of 1
|
|
||||||
6 of 5
|
|
||||||
27 of 1
|
|
||||||
4 of 5
|
|
||||||
29 of 1
|
|
||||||
2 of 5
|
|
||||||
798 of 1
|
|
||||||
2 of 5
|
|
||||||
28 of 1
|
|
||||||
6 of 5
|
|
||||||
25 of 1
|
|
||||||
8 of 5
|
|
||||||
24 of 1
|
|
||||||
8 of 5
|
|
||||||
23 of 1
|
|
||||||
10 of 5
|
|
||||||
22 of 1
|
|
||||||
10 of 5
|
|
||||||
23 of 1
|
|
||||||
8 of 5
|
|
||||||
24 of 1
|
|
||||||
8 of 5
|
|
||||||
25 of 1
|
|
||||||
6 of 5
|
|
||||||
28 of 1
|
|
||||||
2 of 5
|
|
||||||
701 of 1
|
|
||||||
4 of 5
|
|
||||||
26 of 1
|
|
||||||
8 of 5
|
|
||||||
23 of 1
|
|
||||||
10 of 5
|
|
||||||
22 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
22 of 1
|
|
||||||
10 of 5
|
|
||||||
23 of 1
|
|
||||||
8 of 5
|
|
||||||
26 of 1
|
|
||||||
4 of 5
|
|
||||||
637 of 1
|
|
||||||
2 of 5
|
|
||||||
27 of 1
|
|
||||||
8 of 5
|
|
||||||
23 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
23 of 1
|
|
||||||
8 of 5
|
|
||||||
27 of 1
|
|
||||||
2 of 5
|
|
||||||
604 of 1
|
|
||||||
6 of 5
|
|
||||||
24 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
24 of 1
|
|
||||||
6 of 5
|
|
||||||
572 of 1
|
|
||||||
2 of 5
|
|
||||||
27 of 1
|
|
||||||
8 of 5
|
|
||||||
23 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
17 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
17 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
23 of 1
|
|
||||||
8 of 5
|
|
||||||
27 of 1
|
|
||||||
2 of 5
|
|
||||||
541 of 1
|
|
||||||
4 of 5
|
|
||||||
26 of 1
|
|
||||||
8 of 5
|
|
||||||
22 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
17 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
17 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
22 of 1
|
|
||||||
8 of 5
|
|
||||||
26 of 1
|
|
||||||
4 of 5
|
|
||||||
539 of 1
|
|
||||||
6 of 5
|
|
||||||
24 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
17 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
17 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
24 of 1
|
|
||||||
6 of 5
|
|
||||||
538 of 1
|
|
||||||
6 of 5
|
|
||||||
24 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
17 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
17 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
24 of 1
|
|
||||||
6 of 5
|
|
||||||
539 of 1
|
|
||||||
4 of 5
|
|
||||||
26 of 1
|
|
||||||
8 of 5
|
|
||||||
22 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
17 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
17 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
22 of 1
|
|
||||||
8 of 5
|
|
||||||
26 of 1
|
|
||||||
4 of 5
|
|
||||||
541 of 1
|
|
||||||
2 of 5
|
|
||||||
27 of 1
|
|
||||||
8 of 5
|
|
||||||
23 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
17 of 1
|
|
||||||
16 of 5
|
|
||||||
16 of 1
|
|
||||||
16 of 5
|
|
||||||
17 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
23 of 1
|
|
||||||
8 of 5
|
|
||||||
27 of 1
|
|
||||||
2 of 5
|
|
||||||
572 of 1
|
|
||||||
6 of 5
|
|
||||||
24 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
24 of 1
|
|
||||||
6 of 5
|
|
||||||
604 of 1
|
|
||||||
2 of 5
|
|
||||||
27 of 1
|
|
||||||
8 of 5
|
|
||||||
23 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
19 of 1
|
|
||||||
14 of 5
|
|
||||||
18 of 1
|
|
||||||
14 of 5
|
|
||||||
19 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
23 of 1
|
|
||||||
8 of 5
|
|
||||||
27 of 1
|
|
||||||
2 of 5
|
|
||||||
637 of 1
|
|
||||||
4 of 5
|
|
||||||
26 of 1
|
|
||||||
8 of 5
|
|
||||||
23 of 1
|
|
||||||
10 of 5
|
|
||||||
22 of 1
|
|
||||||
10 of 5
|
|
||||||
21 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
20 of 1
|
|
||||||
12 of 5
|
|
||||||
21 of 1
|
|
||||||
10 of 5
|
|
||||||
22 of 1
|
|
||||||
10 of 5
|
|
||||||
23 of 1
|
|
||||||
8 of 5
|
|
||||||
26 of 1
|
|
||||||
4 of 5
|
|
||||||
701 of 1
|
|
||||||
2 of 5
|
|
||||||
28 of 1
|
|
||||||
6 of 5
|
|
||||||
25 of 1
|
|
||||||
8 of 5
|
|
||||||
24 of 1
|
|
||||||
8 of 5
|
|
||||||
23 of 1
|
|
||||||
10 of 5
|
|
||||||
22 of 1
|
|
||||||
10 of 5
|
|
||||||
23 of 1
|
|
||||||
8 of 5
|
|
||||||
24 of 1
|
|
||||||
8 of 5
|
|
||||||
25 of 1
|
|
||||||
6 of 5
|
|
||||||
28 of 1
|
|
||||||
2 of 5
|
|
||||||
798 of 1
|
|
||||||
2 of 5
|
|
||||||
29 of 1
|
|
||||||
4 of 5
|
|
||||||
27 of 1
|
|
||||||
6 of 5
|
|
||||||
26 of 1
|
|
||||||
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 +1,23 @@
|
||||||
|
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
|
||||||
|
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
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.040377943142626056, 0.7396298011497441, -0.661651923110657, -0.11633620074048379]
|
- O: [0.040377943142626056, 0.7396298011497441, -0.661651923110657, -0.11633620074048379]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.8080395996415211, -0.5263437715228787, 0.22303374382245625, -0.1424436334371638]
|
- O: [0.8080395996415211, -0.5263437715228787, 0.22303374382245625, -0.1424436334371638]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.21962598047172166, 0.45293590819075397, -0.06718005388282963, -0.8614524549466163]
|
- O: [0.21962598047172166, 0.45293590819075397, -0.06718005388282963, -0.8614524549466163]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7348220818417669, 0.06949262003518837, 0.20336956395879577, 0.643310270595446]
|
- O: [0.7348220818417669, 0.06949262003518837, 0.20336956395879577, 0.643310270595446]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.27437168454785316, 0.607839586873941, -0.06548653269996256, -0.7422686369382898]
|
- O: [0.27437168454785316, 0.607839586873941, -0.06548653269996256, -0.7422686369382898]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5821287086059501, 0.5669682803260325, -0.47414005369298196, 0.338916428054065]
|
- O: [0.5821287086059501, 0.5669682803260325, -0.47414005369298196, 0.338916428054065]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.3970593041780103, 0.8246645098423279, -0.36199337531483944, 0.1767290338352959]
|
- O: [0.3970593041780103, 0.8246645098423279, -0.36199337531483944, 0.1767290338352959]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5081480477127669, 0.3204901365034085, 0.7369345512733142, -0.3098372171791651]
|
- O: [0.5081480477127669, 0.3204901365034085, 0.7369345512733142, -0.3098372171791651]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.6953483497932282, -0.7005111230189092, -0.030120917781595695, -0.15769454422590312]
|
- O: [0.6953483497932282, -0.7005111230189092, -0.030120917781595695, -0.15769454422590312]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.20780780106593144, -0.4156481640905742, -0.859796494212616, -0.2116660342236624]
|
- O: [0.20780780106593144, -0.4156481640905742, -0.859796494212616, -0.2116660342236624]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.875449475108018, 0.334405906289409, 0.08321243768586052, 0.3388754883231179]
|
- O: [0.875449475108018, 0.334405906289409, 0.08321243768586052, 0.3388754883231179]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.4878954087431437, -0.201899911445109, -0.016443700876142255, 0.8490724943061776]
|
- O: [0.4878954087431437, -0.201899911445109, -0.016443700876142255, 0.8490724943061776]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.809006993377334, -0.4511704605616954, 0.3107581234699541, 0.21303119227133527]
|
- O: [0.809006993377334, -0.4511704605616954, 0.3107581234699541, 0.21303119227133527]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.2783061701232137, -0.37155930333092624, 0.2983006011383234, 0.833970090075238]
|
- O: [0.2783061701232137, -0.37155930333092624, 0.2983006011383234, 0.833970090075238]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.8685487200401724, 0.4286175969913296, 0.2073677875225473, -0.13750882576751258]
|
- O: [0.8685487200401724, 0.4286175969913296, 0.2073677875225473, -0.13750882576751258]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.8559566148691011, 0.23856401969856064, 0.39423286552950637, 0.23453342982075753]
|
- O: [0.8559566148691011, 0.23856401969856064, 0.39423286552950637, 0.23453342982075753]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.1756511736975092, 0.07342062889304078, -0.04772989392115008, -0.9805498119207986]
|
- O: [0.1756511736975092, 0.07342062889304078, -0.04772989392115008, -0.9805498119207986]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7200508938250222, 0.6735134759580867, -0.1233849919850085, 0.11261639204619212]
|
- O: [0.7200508938250222, 0.6735134759580867, -0.1233849919850085, 0.11261639204619212]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.047335400154722915, 0.49129103138311975, 0.525630527898618, -0.6928961181271857]
|
- O: [0.047335400154722915, 0.49129103138311975, 0.525630527898618, -0.6928961181271857]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.28118642835330543, 0.5395929890335265, 0.40425497687514045, 0.6828993427786086]
|
- O: [0.28118642835330543, 0.5395929890335265, 0.40425497687514045, 0.6828993427786086]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.006026285215314257, -0.1679148292265234, -0.7479485565815042, -0.6421380308936511]
|
- O: [0.006026285215314257, -0.1679148292265234, -0.7479485565815042, -0.6421380308936511]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.334648430137024, 0.6496056109679386, -0.1394793624167455, 0.6682577989560725]
|
- O: [0.334648430137024, 0.6496056109679386, -0.1394793624167455, 0.6682577989560725]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7232075581792949, -0.28960085183792955, -0.6223046032924913, -0.07641436467093393]
|
- O: [0.7232075581792949, -0.28960085183792955, -0.6223046032924913, -0.07641436467093393]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.47299579296952254, -0.5670338162851795, -0.5015824290282452, 0.45073572957146774]
|
- O: [0.47299579296952254, -0.5670338162851795, -0.5015824290282452, 0.45073572957146774]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.5759837103124865, 0.47483366659316206, 0.13338249877309968, -0.6519086312861638]
|
- O: [0.5759837103124865, 0.47483366659316206, 0.13338249877309968, -0.6519086312861638]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.2133016608721166, 0.8062208250934307, -0.14645674169152062, 0.5320345904807013]
|
- O: [0.2133016608721166, 0.8062208250934307, -0.14645674169152062, 0.5320345904807013]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.7863833344402563, 0.15848713668741257, 0.5963350020823727, 0.02945579927053303]
|
- O: [0.7863833344402563, 0.15848713668741257, 0.5963350020823727, 0.02945579927053303]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.2759341654421687, -0.6656009677995011, 0.632033964698132, -0.2852520910949854]
|
- O: [0.2759341654421687, -0.6656009677995011, 0.632033964698132, -0.2852520910949854]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.3400173283191303, 0.2790322396525497, 0.05686903943434476, -0.8962673362513095]
|
- O: [0.3400173283191303, 0.2790322396525497, 0.05686903943434476, -0.8962673362513095]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.3090337373688507, -0.6179184060817985, -0.40306280271429823, -0.6001794478831014]
|
- O: [0.3090337373688507, -0.6179184060817985, -0.40306280271429823, -0.6001794478831014]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.48435626950922916, 0.11609254154182697, 0.8072509012091782, 0.31665045157465316]
|
- O: [0.48435626950922916, 0.11609254154182697, 0.8072509012091782, 0.31665045157465316]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.9341912300459765, 0.06381865157465592, -0.2688666295423878, 0.22566493067132626]
|
- O: [0.9341912300459765, 0.06381865157465592, -0.2688666295423878, 0.22566493067132626]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.3246762949389304, -0.8214600528123802, 0.1647217509197912, -0.43892531245318767]
|
- O: [0.3246762949389304, -0.8214600528123802, 0.1647217509197912, -0.43892531245318767]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.22010536155962523, 0.3952675899243737, -0.4188983380967744, 0.787300034616946]
|
- O: [0.22010536155962523, 0.3952675899243737, -0.4188983380967744, 0.787300034616946]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.4751050223053463, -0.4218758221556333, 0.4821369300658099, -0.6031915028641082]
|
- O: [0.4751050223053463, -0.4218758221556333, 0.4821369300658099, -0.6031915028641082]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.880861720439117, 0.09303992127699898, 0.06428592081503388, 0.459666752004941]
|
- O: [0.880861720439117, 0.09303992127699898, 0.06428592081503388, 0.459666752004941]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.017063839192766467, -0.6261860403002049, 0.7746195154331581, 0.0869739882680612]
|
- O: [0.017063839192766467, -0.6261860403002049, 0.7746195154331581, 0.0869739882680612]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.8252329561137333, 0.43850926617938535, -0.16721886267130043, 0.314226102648273]
|
- O: [0.8252329561137333, 0.43850926617938535, -0.16721886267130043, 0.314226102648273]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.4088699582548411, 0.5235534931618994, 0.2277666883750278, -0.7119265641211392]
|
- O: [0.4088699582548411, 0.5235534931618994, 0.2277666883750278, -0.7119265641211392]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- O: [0.31369184472576933, -0.5429805343259477, -0.5533576236189442, -0.5482380014906362]
|
- O: [0.31369184472576933, -0.5429805343259477, -0.5533576236189442, -0.5482380014906362]
|
||||||
fraction: 1.0
|
v: 1.0
|
||||||
phase: Aluminum
|
phase: Aluminum
|
||||||
homogenization: SX
|
homogenization: SX
|
||||||
- constituents:
|
- constituents:
|
||||||
- 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
|
|
|
@ -1,187 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
#
|
|
||||||
# The exit status of this script is read by Mentat.
|
|
||||||
# Normal exit status is 0.
|
|
||||||
#
|
|
||||||
|
|
||||||
DIR=%INSTALLDIR%/marc%VERSION%
|
|
||||||
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 $srcfile -save y"
|
|
||||||
;;
|
|
||||||
runsaved)
|
|
||||||
srcfile=${srcfile%.*}".marc"
|
|
||||||
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_damask_hmp" $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
|
|
|
@ -1,187 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
#
|
|
||||||
# The exit status of this script is read by Mentat.
|
|
||||||
# Normal exit status is 0.
|
|
||||||
#
|
|
||||||
|
|
||||||
DIR=%INSTALLDIR%/marc%VERSION%
|
|
||||||
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 $srcfile -save y"
|
|
||||||
;;
|
|
||||||
runsaved)
|
|
||||||
srcfile=${srcfile%.*}".marc"
|
|
||||||
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_damask_mp" $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
|
|
|
@ -1,187 +0,0 @@
|
||||||
#!/bin/sh
|
|
||||||
#
|
|
||||||
# The exit status of this script is read by Mentat.
|
|
||||||
# Normal exit status is 0.
|
|
||||||
#
|
|
||||||
|
|
||||||
DIR=%INSTALLDIR%/marc%VERSION%
|
|
||||||
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 $srcfile -save y"
|
|
||||||
;;
|
|
||||||
runsaved)
|
|
||||||
srcfile=${srcfile%.*}".marc"
|
|
||||||
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_damask_lmp" $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
|
|
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
@ -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
|
|
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue