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DAMASK_EICMD
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Merge branch 'development' into cmake

This commit is contained in:
Martin Diehl 2017-04-15 16:17:50 +02:00
parent 4bf11b20c9 1344905c7e
commit a5f8c5ba32
42 changed files with 797 additions and 241 deletions
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3
.gitignore vendored
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@ -1,4 +1,4 @@
code .noH5py
*.pyc *.pyc
*.mod *.mod
*.o *.o
@ -6,5 +6,4 @@ code
*.bak *.bak
*~ *~
bin bin
PRIVATE
build build

490
.gitlab-ci.yml Normal file
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@ -0,0 +1,490 @@
stages:
- prepareAll
- preprocessing
- postprocessing
- compileSpectralIntel
- compileSpectralGNU
- prepareSpectral
- spectral
- compileMarc2014
- compileMarc2014.2
- compileMarc2015
- compileMarc2016
- marc
- compileAbaqus2016
- compileAbaqus2017
- example
- updateMaster
- createDocumentation
- clean
###################################################################################################
before_script:
- source $DAMASKROOT/DAMASK_env.sh
- module purge
- cd $DAMASKROOT/PRIVATE/testing
###################################################################################################
variables:
#================================================================================================
# GitLab Settings
#================================================================================================
GIT_SUBMODULE_STRATEGY: none
#================================================================================================
# Shortcut names
#================================================================================================
DAMASKROOT: "$HOME/GitLabCI_Pipeline_$CI_PIPELINE_ID/DAMASK"
#================================================================================================
# Names of module files to load
#================================================================================================
# ++++++++++++ Compiler ++++++++++++++++++++++++++++++++++++++++++++++
IntelCompiler16_0: "Compiler/Intel/16.0 Libraries/IMKL/2016"
IntelCompiler17_0: "Compiler/Intel/17.0 Libraries/IMKL/2017"
GNUCompiler5_3: "Compiler/GNU/5.3"
# ------------ Defaults ----------------------------------------------
IntelCompiler: "$IntelCompiler17_0"
GNUCompiler: "$GNUCompiler5_3"
# ++++++++++++ MPI +++++++++++++++++++++++++++++++++++++++++++++++++++
MPICH3_2Intel17_0: "MPI/Intel/17.0/MPICH/3.2"
MPICH3_2GNU5_3: "MPI/GNU/5.3/MPICH/3.2"
# ------------ Defaults ----------------------------------------------
MPICH_GNU: "$MPICH3_2GNU5_3"
MPICH_Intel: "$MPICH3_2Intel17_0"
# ++++++++++++ PETSc +++++++++++++++++++++++++++++++++++++++++++++++++
PETSc3_6_4MPICH3_2Intel17_0: "Libraries/PETSc/3.6.4/Intel-17.0-MPICH-3.2"
PETSc3_7_5MPICH3_2Intel17_0: "Libraries/PETSc/3.7.5/Intel-17.0-MPICH-3.2"
PETSc3_7_5MPICH3_2GNU5_3: "Libraries/PETSc/3.7.5/GNU-5.3-MPICH-3.2"
# ------------ Defaults ----------------------------------------------
PETSc_MPICH_Intel: "$PETSc3_7_5MPICH3_2Intel17_0"
PETSc_MPICH_GNU: "$PETSc3_7_5MPICH3_2GNU5_3"
# ++++++++++++ FEM +++++++++++++++++++++++++++++++++++++++++++++++++++
Abaqus2016: "FEM/Abaqus/2016"
Abaqus2017: "FEM/Abaqus/2017"
MSC2014: "FEM/MSC/2014"
MSC2014_2: "FEM/MSC/2014.2"
MSC2015: "FEM/MSC/2015"
MSC2016: "FEM/MSC/2016"
# ------------ Defaults ----------------------------------------------
Abaqus: "$Abaqus2017"
MSC: "$MSC2016"
# ++++++++++++ Documentation +++++++++++++++++++++++++++++++++++++++++
Doxygen1_8_13: "Documentation/Doxygen/1.8.13"
# ------------ Defaults ----------------------------------------------
Doxygen: "$Doxygen1_8_13"
###################################################################################################
checkout:
stage: prepareAll
before_script:
- echo $CI_PIPELINE_ID >> $HOME/GitLabCI.queue
- while [ $(awk "/$CI_PIPELINE_ID/{print NR}" $HOME/GitLabCI.queue) -ne 1 ];do sleep 5m; done
script:
- mkdir -p $DAMASKROOT
- git clone -q git@magit1.mpie.de:damask/DAMASK.git $DAMASKROOT
- cd $DAMASKROOT
- git checkout $CI_COMMIT_SHA
- git clone -q git@magit1.mpie.de:damask/PRIVATE.git
- source $DAMASKROOT/DAMASK_env.sh
- make install
except:
- master
- release
###################################################################################################
OrientationRelationship:
stage: preprocessing
script: OrientationRelationship/test.py
except:
- master
- release
Pre_SeedGeneration:
stage: preprocessing
script: PreProcessing_SeedGeneration/test.py
except:
- master
- release
Pre_GeomGeneration:
stage: preprocessing
script: PreProcessing_GeomGeneration/test.py
except:
- master
- release
Pre_GeomModification:
stage: preprocessing
script: PreProcessing_GeomModification/test.py
except:
- master
- release
Pre_General:
stage: preprocessing
script: PreProcessing/test.py
except:
- master
- release
Spectral_geometryPacking:
stage: preprocessing
script: Spectral_geometryPacking/test.py
except:
- master
- release
###################################################################################################
Post_General:
stage: postprocessing
script: PostProcessing/test.py
except:
- master
- release
Post_GeometryReconstruction:
stage: postprocessing
script: Spectral_geometryReconstruction/test.py
except:
- master
- release
Post_addCurl:
stage: postprocessing
script: addCurl/test.py
except:
- master
- release
Post_addDivergence:
stage: postprocessing
script: addDivergence/test.py
except:
- master
- release
Post_addGradient:
stage: postprocessing
script: addGradient/test.py
except:
- master
- release
Post_ParaviewRelated:
stage: postprocessing
script: ParaviewRelated/test.py
except:
- master
- release
###################################################################################################
Compile_Intel:
stage: compileSpectralIntel
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
- SpectralAll_compileIfort/test.py
except:
- master
- release
###################################################################################################
Compile_GNU:
stage: compileSpectralGNU
script:
- module load $GNUCompiler $MPICH_GNU $PETSc_MPICH_GNU
- SpectralAll_compileGfortran/test.py
except:
- master
- release
###################################################################################################
Compile_Intel_Prepare:
stage: prepareSpectral
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
- make -C $DAMASKROOT clean spectral install tidy
except:
- master
- release
###################################################################################################
Spectral_PackedGeometry:
stage: spectral
script: Spectral_PackedGeometry/test.py
except:
- master
- release
Spectral_parsingArguments:
stage: spectral
script: Spectral_parsingArguments/test.py
except:
- master
- release
StateIntegration_compareVariants:
stage: spectral
script: StateIntegration_compareVariants/test.py
except:
- master
- release
nonlocal_densityConservation:
stage: spectral
script: nonlocal_densityConservation/test.py
except:
- master
- release
Spectral_ipNeighborhood:
stage: spectral
script: Spectral_ipNeighborhood/test.py
except:
- master
- release
Nonlocal_Damage_DetectChanges:
stage: spectral
script: Nonlocal_Damage_DetectChanges/test.py
except:
- master
- release
SpectralAll_restart:
stage: spectral
script: SpectralAll_restart/test.py
except:
- master
- release
SpectralAll_parsingLoadCase:
stage: spectral
script: SpectralAll_parsingLoadCase/test.py
except:
- master
- release
SpectralBasic_loadCaseRotation:
stage: spectral
script: SpectralBasic_loadCaseRotation/test.py
except:
- master
- release
Spectral_MPI:
stage: spectral
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
- Spectral_MPI/test.py
except:
- master
- release
Plasticity_DetectChanges:
stage: spectral
script: Plasticity_DetectChanges/test.py
except:
- master
- release
Homogenization:
stage: spectral
script: Homogenization/test.py
except:
- master
- release
Phenopowerlaw_singleSlip:
stage: spectral
script: Phenopowerlaw_singleSlip/test.py
except:
- master
- release
HybridIA:
stage: spectral
script: HybridIA/test.py
except:
- master
- release
###################################################################################################
Marc_compileIfort2014:
stage: compileMarc2014
script:
- module load $IntelCompiler16_0 $MSC2014
- Marc_compileIfort/test.py -m 2014
except:
- master
- release
###################################################################################################
Marc_compileIfort2014.2:
stage: compileMarc2014.2
script:
- module load $IntelCompiler16_0 $MSC2014_2
- Marc_compileIfort/test.py -m 2014.2
except:
- master
- release
###################################################################################################
Marc_compileIfort2015:
stage: compileMarc2015
script:
- module load $IntelCompiler16_0 $MSC2015
- Marc_compileIfort/test.py -m 2015
except:
- master
- release
###################################################################################################
Marc_compileIfort2016:
stage: compileMarc2016
script:
- module load $IntelCompiler16_0 $MSC2016
- Marc_compileIfort/test.py -m 2016
except:
- master
- release
###################################################################################################
Hex_elastic:
stage: marc
script:
- module load $IntelCompiler16_0 $MSC
- Hex_elastic/test.py
except:
- master
- release
CubicFCC_elastic:
stage: marc
script:
- module load $IntelCompiler16_0 $MSC
- CubicFCC_elastic/test.py
except:
- master
- release
CubicBCC_elastic:
stage: marc
script:
- module load $IntelCompiler16_0 $MSC
- CubicBCC_elastic/test.py
except:
- master
- release
J2_plasticBehavior:
stage: marc
script:
- module load $IntelCompiler16_0 $MSC
- J2_plasticBehavior/test.py
except:
- master
- release
###################################################################################################
Abaqus_compile2016:
stage: compileAbaqus2016
script:
- module load $IntelCompiler16_0 $Abaqus2016
- Abaqus_compileIfort/test.py -a 2016
except:
- master
- release
###################################################################################################
Abaqus_compile2017:
stage: compileAbaqus2017
script:
- module load $IntelCompiler16_0 $Abaqus2017
- Abaqus_compileIfort/test.py -a 2017
except:
- master
- release
###################################################################################################
SpectralExample:
stage: example
script: SpectralAll_example/test.py
only:
- development
AbaqusExample:
stage: example
script:
- module load $IntelCompiler16_0 $Abaqus
- Abaqus_example/test.py
only:
- development
##################################################################################################
mergeIntoMaster:
stage: updateMaster
script:
- cd $DAMASKROOT
- export TESTEDREV=$(git describe) # might be detached from development branch
- echo $TESTEDREV > VERSION
- git commit VERSION -m "[skip ci] updated version information after successful test of $TESTEDREV"
- export UPDATEDREV=$(git describe) # tested state + 1 commit
- git checkout master
- git merge $UPDATEDREV
- git push origin master # master is now tested version and has updated VERSION file
- git checkout development
- git pull
- git merge master -s ours # only possible conflict is in VERSION file
- git push origin development # development is unchanged (as master is based on it) but has updated VERSION file
only:
- development
###################################################################################################
AbaqusExp:
stage: createDocumentation
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
- $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT abaqus_exp
except:
- master
- release
AbaqusStd:
stage: createDocumentation
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
- $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT abaqus_std
except:
- master
- release
Marc:
stage: createDocumentation
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
- $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT marc
except:
- master
- release
Spectral:
stage: createDocumentation
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel $Doxygen
- $DAMASKROOT/PRIVATE/documenting/runDoxygen.sh $DAMASKROOT spectral
except:
- master
- release
###################################################################################################
removeLock:
stage: clean
before_script:
- echo 'Do nothing'
when: always
script: sed -i "/$CI_PIPELINE_ID/d" $HOME/GitLabCI.queue
except:
- master
- release

6
CONFIG
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@ -5,7 +5,7 @@ set DAMASK_BIN = ${DAMASK_ROOT}/bin
set DAMASK_NUM_THREADS = 4 set DAMASK_NUM_THREADS = 4
set MSC_ROOT = /opt/MSC set MSC_ROOT = /opt/msc
set MARC_VERSION = 2015 set MARC_VERSION = 2016
set ABAQUS_VERSION = 6.14-5 set ABAQUS_VERSION = 2017

13
DAMASK_env.sh
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@ -25,11 +25,11 @@ if [[ "x$DAMASK_BIN" != "x" && ! $(echo ":$PATH:" | grep $DAMASK_BIN:) ]]; then
export PATH=$DAMASK_BIN:$PATH export PATH=$DAMASK_BIN:$PATH
fi fi
SOLVER=$(which DAMASK_spectral 2>/dev/null) SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
if [ "x$SOLVER" == "x" ]; then if [ "x$SOLVER" == "x" ]; then
SOLVER='Not found!' SOLVER='Not found!'
fi fi
PROCESSING=$(which postResults 2>/dev/null) PROCESSING=$(which postResults || true 2>/dev/null)
if [ "x$PROCESSING" == "x" ]; then if [ "x$PROCESSING" == "x" ]; then
PROCESSING='Not found!' PROCESSING='Not found!'
fi fi
@ -39,12 +39,15 @@ fi
# according to http://software.intel.com/en-us/forums/topic/501500 # according to http://software.intel.com/en-us/forums/topic/501500
# this seems to make sense for the stack size # this seems to make sense for the stack size
FREE=$(which free 2>/dev/null) FREE=$(type -p free 2>/dev/null)
if [ "x$FREE" != "x" ]; then if [ "x$FREE" != "x" ]; then
freeMem=$(free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}') freeMem=$(free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}')
# http://superuser.com/questions/220059/what-parameters-has-ulimit # http://superuser.com/questions/220059/what-parameters-has-ulimit
ulimit -d $(expr $freeMem / 2) 2>/dev/null # maximum heap size (kB) ulimit -d unlimited 2>/dev/null \
ulimit -s $(expr $freeMem / $DAMASK_NUM_THREADS / 2) 2>/dev/null # maximum stack size (kB) || ulimit -d $(expr $freeMem / 2) 2>/dev/null # maximum heap size (kB)
ulimit -s unlimited 2>/dev/null \
|| echo "cannot unlimit stack..." \
&& ulimit -s $(expr $freeMem / $DAMASK_NUM_THREADS / 2) 2>/dev/null # maximum stack size (kB)
fi fi
ulimit -v unlimited 2>/dev/null # maximum virtual memory size ulimit -v unlimited 2>/dev/null # maximum virtual memory size
ulimit -m unlimited 2>/dev/null # maximum physical memory size ulimit -m unlimited 2>/dev/null # maximum physical memory size

4
DAMASK_env.zsh
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@ -19,8 +19,8 @@ if [[ ( "x$DAMASK_BIN" != "x" ) && ( "x$MATCH" = "x" ) ]]; then
export PATH=$DAMASK_BIN:$PATH export PATH=$DAMASK_BIN:$PATH
fi fi
SOLVER=`which DAMASK_spectral 2>/dev/null` SOLVER=`which DAMASK_spectral || True 2>/dev/null`
PROCESSING=`which postResults 2>/dev/null` PROCESSING=`which postResults || True 2>/dev/null`
if [ "x$DAMASK_NUM_THREADS" = "x" ]; then if [ "x$DAMASK_NUM_THREADS" = "x" ]; then
DAMASK_NUM_THREADS=1 DAMASK_NUM_THREADS=1
fi fi

2
LICENSE
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@ -1,4 +1,4 @@
Copyright 2011-16 Max-Planck-Institut für Eisenforschung GmbH Copyright 2011-17 Max-Planck-Institut für Eisenforschung GmbH
This program is free software: you can redistribute it and/or modify This program 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

2
VERSION
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@ -1 +1 @@
v2.0.1-357-g38471c1 v2.0.1-414-g81d0752

2
examples/ConfigFiles/Phase_Dislotwin_TWIP-Steel-FeMnC.config
View File

@ -50,7 +50,7 @@ interactionSlipSlip 0.122 0.122 0.625 0.07 0.137 0.122 # Interaction coefficient
### Shearband parameters ### ### Shearband parameters ###
shearbandresistance 180e6 shearbandresistance 180e6
shearbandvelocity 1e-4 # set to zero to turn shear banding of shearbandvelocity 0e-4 # set to zero to turn shear banding of
QedgePerSbSystem 3.7e-19 # Activation energy for shear banding [J] QedgePerSbSystem 3.7e-19 # Activation energy for shear banding [J]
p_shearband 1.0 # p-exponent in glide velocity p_shearband 1.0 # p-exponent in glide velocity
q_shearband 1.0 # q-exponent in glide velocity q_shearband 1.0 # q-exponent in glide velocity

3
examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Ferrite.config
View File

@ -18,8 +18,5 @@ tau0_slip 95.e6 97.e6 # per family, optimization long
tausat_slip 222.e6 412.7e6 # per family, optimization long simplex 109 tausat_slip 222.e6 412.7e6 # per family, optimization long simplex 109
h0_slipslip 1000.0e6 h0_slipslip 1000.0e6
interaction_slipslip 1 1 1.4 1.4 1.4 1.4 interaction_slipslip 1 1 1.4 1.4 1.4 1.4
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
w0_slip 2.0 w0_slip 2.0
(output) totalshear (output) totalshear

3
examples/ConfigFiles/Phase_Phenopowerlaw_BCC-Martensite.config
View File

@ -18,8 +18,5 @@ tau0_slip 405.8e6 456.7e6 # per family
tausat_slip 872.9e6 971.2e6 # per family tausat_slip 872.9e6 971.2e6 # per family
h0_slipslip 563.0e9 h0_slipslip 563.0e9
interaction_slipslip 1 1 1.4 1.4 1.4 1.4 interaction_slipslip 1 1 1.4 1.4 1.4 1.4
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
w0_slip 2.0 w0_slip 2.0
(output) totalshear (output) totalshear

11
examples/ConfigFiles/Phase_Phenopowerlaw_Gold.config
View File

@ -35,18 +35,7 @@ tausat_slip 53.00e6 # per family
a_slip 1.0 a_slip 1.0
gdot0_twin 0.001 gdot0_twin 0.001
n_twin 20 n_twin 20
tau0_twin 0 # per family
s_pr 0 # push-up factor for slip saturation due to twinning
twin_b 0
twin_c 0
twin_d 0
twin_e 0
h0_slipslip 75e6 h0_slipslip 75e6
h0_twinslip 0
h0_twintwin 0
interaction_slipslip 1 1 1.4 1.4 1.4 1.4 interaction_slipslip 1 1 1.4 1.4 1.4 1.4
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
atol_resistance 1 atol_resistance 1

10
examples/ConfigFiles/Phase_Phenopowerlaw_multiField.config
View File

@ -29,18 +29,8 @@ a_slip 2.25
gdot0_twin 0.001 gdot0_twin 0.001
n_twin 20 n_twin 20
tau0_twin 31e6 # per family tau0_twin 31e6 # per family
s_pr 0 # push-up factor for slip saturation due to twinning
twin_b 0
twin_c 0
twin_d 0
twin_e 0
h0_slipslip 75e6 h0_slipslip 75e6
h0_twinslip 0
h0_twintwin 0
interaction_slipslip 1 1 1.4 1.4 1.4 1.4 interaction_slipslip 1 1 1.4 1.4 1.4 1.4
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
atol_resistance 1 atol_resistance 1
(stiffness_degradation) damage (stiffness_degradation) damage

8
examples/MSC.Marc/material.config
View File

@ -2,7 +2,7 @@
<homogenization> <homogenization>
#-------------------# #-------------------#
{../../code/config/Homogenization_None_Dummy.config} {../ConfigFiles/Homogenization_None_Dummy.config}
#-------------------# #-------------------#
<microstructure> <microstructure>
@ -524,12 +524,12 @@ crystallite 1
<crystallite> <crystallite>
#-------------------# #-------------------#
{../../code/config/Crystallite_All.config} {../ConfigFiles/Crystallite_All.config}
#-------------------# #-------------------#
<phase> <phase>
#-------------------# #-------------------#
{../../code/config/Phase_Phenopowerlaw_Aluminum.config} {../ConfigFiles/Phase_Phenopowerlaw_Aluminum.config}
{../../code/config/Phase_J2_AluminumIsotropic.config} {../ConfigFiles/Phase_Isotropic_AluminumIsotropic.config}

14
examples/SpectralMethod/material.config
View File

@ -52,22 +52,8 @@ n_slip 20
tau0_slip 31e6 # per family tau0_slip 31e6 # per family
tausat_slip 63e6 # per family tausat_slip 63e6 # per family
a_slip 2.25 a_slip 2.25
gdot0_twin 0.001
n_twin 20
tau0_twin 31e6 # per family
s_pr 0 # push-up factor for slip saturation due to twinning
twin_b 0
twin_c 0
twin_d 0
twin_e 0
h0_slipslip 75e6 h0_slipslip 75e6
h0_sliptwin 0
h0_twinslip 0
h0_twintwin 0
interaction_slipslip 1 1 1.4 1.4 1.4 1.4 interaction_slipslip 1 1 1.4 1.4 1.4 1.4
interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1
atol_resistance 1 atol_resistance 1

4
installation/mods_Abaqus/abaqus_v6.env
View File

@ -31,7 +31,7 @@ fortCmd = "ifort"
# -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt # -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt
compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " + compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " +
"-I%I -I../lib -free -O1 -fpp -openmp " + "-I%I -free -O1 -fpp -openmp " +
"-ftz -diag-disable 5268 " + "-ftz -diag-disable 5268 " +
"-implicitnone -assume byterecl -stand f08 -standard-semantics " + "-implicitnone -assume byterecl -stand f08 -standard-semantics " +
"-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " + "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " +
@ -58,4 +58,4 @@ ask_delete=OFF
# Remove the temporary names from the namespace # Remove the temporary names from the namespace
del fortCmd del fortCmd
del DAMASKVERSION

4
installation/mods_Abaqus/abaqus_v6_serial.env
View File

@ -31,7 +31,7 @@ fortCmd = "ifort"
# -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt # -integer-size 32 -DINT=4 assume size of integer to be 4 bytes, matches our definition of pInt
compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " + compile_fortran = (fortCmd + " -c -fPIC -auto -shared-intel " +
"-I%I -I../lib -free -O1 -fpp " + "-I%I -free -O1 -fpp " +
"-ftz -diag-disable 5268 " + "-ftz -diag-disable 5268 " +
"-implicitnone -assume byterecl -stand f08 -standard-semantics " + "-implicitnone -assume byterecl -stand f08 -standard-semantics " +
"-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " + "-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 " +
@ -58,4 +58,4 @@ ask_delete=OFF
# Remove the temporary names from the namespace # Remove the temporary names from the namespace
del fortCmd del fortCmd
del DAMASKVERSION

2
installation/mods_MarcMentat/apply_DAMASK_modifications.sh
View File

@ -25,6 +25,7 @@ do
if [ -z "$VERSION" ]; then if [ -z "$VERSION" ]; then
VERSION=${DEFAULT_VERSION} VERSION=${DEFAULT_VERSION}
fi fi
[[ -d "$SCRIPTLOCATION/$VERSION" ]] || echo -e "$VERSION not supported..!\n"
done done
echo "MSC version: $VERSION" echo "MSC version: $VERSION"
@ -35,6 +36,7 @@ do
if [ -z "$INSTALLDIR" ]; then if [ -z "$INSTALLDIR" ]; then
INSTALLDIR=${DEFAULT_DIR} INSTALLDIR=${DEFAULT_DIR}
fi fi
[[ -d "$INSTALLDIR" ]] || echo -e "$INSTALLDIR not found..!\n"
done done
INSTALLDIR=${INSTALLDIR%/} # remove trailing slash INSTALLDIR=${INSTALLDIR%/} # remove trailing slash

2
installation/patch/README.md
View File

@ -13,5 +13,3 @@ patch -p1 < installation/patch/nameOfPatch
* **fwbw_derivative** switches the default spatial derivative from continuous to forward/backward difference. * **fwbw_derivative** switches the default spatial derivative from continuous to forward/backward difference.
This generally reduces spurious oscillations in the result as the spatial accuracy of the derivative is then compatible with the underlying solution grid. This generally reduces spurious oscillations in the result as the spatial accuracy of the derivative is then compatible with the underlying solution grid.
* **petsc3.7** adapts to API changes introduced between PETSc 3.6.x and 3.7.x for setting PETSc options.
Use this patch if your system runs PETSc 3.7.x.

22
installation/patch/petsc3.7
View File

@ -1,22 +0,0 @@
diff --git a/code/spectral_utilities.f90 b/code/spectral_utilities.f90
index 34eb0ea..a33c7a9 100644
--- a/code/spectral_utilities.f90
+++ b/code/spectral_utilities.f90
@@ -227,12 +227,13 @@ subroutine utilities_init()
trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.config '; flush(6)
- call PetscOptionsClear(ierr); CHKERRQ(ierr)
- if(debugPETSc) call PetscOptionsInsertString(trim(PETSCDEBUG),ierr)
+ call PetscOptionsClear(PETSC_NULL_OBJECT,ierr)
CHKERRQ(ierr)
- call PetscOptionsInsertString(trim(petsc_defaultOptions),ierr)
+ if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(PETSCDEBUG),ierr)
CHKERRQ(ierr)
- call PetscOptionsInsertString(trim(petsc_options),ierr)
+ call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(petsc_defaultOptions),ierr)
+ CHKERRQ(ierr)
+ call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(petsc_options),ierr)
CHKERRQ(ierr)
grid1Red = grid(1)/2_pInt + 1_pInt

21
lib/damask/__init__.py
View File

@ -1,7 +1,13 @@
# -*- coding: UTF-8 no BOM -*- # -*- coding: UTF-8 no BOM -*-
"""Main aggregator""" """Main aggregator"""
import os import os,sys,time
h5py_flag = os.path.join(os.path.dirname(__file__),'../../.noH5py')
h5py_grace = 7200 # only complain once every 7200 sec (2 hours)
h5py_msg = "h5py module not found."
now = time.time()
with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f: with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f:
version = f.readline()[:-1] version = f.readline()[:-1]
@ -9,9 +15,18 @@ with open(os.path.join(os.path.dirname(__file__),'../../VERSION')) as f:
from .environment import Environment # noqa from .environment import Environment # noqa
from .asciitable import ASCIItable # noqa from .asciitable import ASCIItable # noqa
try: try:
from .h5table import H5Table # noqa from .h5table import H5Table # noqa
if os.path.exists(h5py_flag): os.remove(h5py_flag) # delete flagging file on success
except ImportError: except ImportError:
print("h5py module not found") if os.path.exists(h5py_flag):
if now - os.path.getmtime(h5py_flag) > h5py_grace: # complain (again) every so-and-so often
sys.stderr.write(h5py_msg+'\n')
with open(h5py_flag, 'a'):
os.utime(h5py_flag,(now,now)) # update flag modification time to "now"
else:
open(h5py_flag, 'a').close() # create flagging file
sys.stderr.write(h5py_msg+'\n') # complain for the first time
from .config import Material # noqa from .config import Material # noqa
from .colormaps import Colormap, Color # noqa from .colormaps import Colormap, Color # noqa
from .orientation import Quaternion, Rodrigues, Symmetry, Orientation # noqa from .orientation import Quaternion, Rodrigues, Symmetry, Orientation # noqa

2
lib/damask/environment.py
View File

@ -33,7 +33,7 @@ class Environment():
'explicit':5} 'explicit':5}
if Nneeded == -1: Nneeded = licensesNeeded[software] if Nneeded == -1: Nneeded = licensesNeeded[software]
try: try:
cmd = """ ssh mulicense2 "/Stat_Flexlm | grep 'Users of %s: ' | cut -d' ' -f7,13" """%software cmd = """ ssh mulicense2 "/lm-status | grep 'Users of %s: ' | cut -d' ' -f7,13" """%software
process = subprocess.Popen(shlex.split(cmd),stdout = subprocess.PIPE,stderr = subprocess.PIPE) process = subprocess.Popen(shlex.split(cmd),stdout = subprocess.PIPE,stderr = subprocess.PIPE)
licenses = list(map(int, process.stdout.readline().split())) licenses = list(map(int, process.stdout.readline().split()))
try: try:

39
lib/damask/test/test.py
View File

@ -203,58 +203,63 @@ class Test():
shutil.copy2(source,target) shutil.copy2(source,target)
except: except:
logging.critical('error copying {} to {}'.format(source,target)) logging.critical('error copying {} to {}'.format(source,target))
raise
def copy_Reference2Current(self,sourcefiles=[],targetfiles=[]): def copy_Reference2Current(self,sourcefiles=[],targetfiles=[]):
if len(targetfiles) == 0: targetfiles = sourcefiles if len(targetfiles) == 0: targetfiles = sourcefiles
for i,file in enumerate(sourcefiles): for i,f in enumerate(sourcefiles):
try: try:
shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
except: except:
logging.critical('Reference2Current: Unable to copy file "{}"'.format(file)) logging.critical('Reference2Current: Unable to copy file "{}"'.format(f))
raise
def copy_Base2Current(self,sourceDir,sourcefiles=[],targetfiles=[]): def copy_Base2Current(self,sourceDir,sourcefiles=[],targetfiles=[]):
source=os.path.normpath(os.path.join(self.dirBase,'../../..',sourceDir)) source=os.path.normpath(os.path.join(self.dirBase,'../../..',sourceDir))
if len(targetfiles) == 0: targetfiles = sourcefiles if len(targetfiles) == 0: targetfiles = sourcefiles
for i,file in enumerate(sourcefiles): for i,f in enumerate(sourcefiles):
try: try:
shutil.copy2(os.path.join(source,file),self.fileInCurrent(targetfiles[i])) shutil.copy2(os.path.join(source,f),self.fileInCurrent(targetfiles[i]))
except: except:
logging.error(os.path.join(source,file)) logging.error(os.path.join(source,f))
logging.critical('Base2Current: Unable to copy file "{}"'.format(file)) logging.critical('Base2Current: Unable to copy file "{}"'.format(f))
raise
def copy_Current2Reference(self,sourcefiles=[],targetfiles=[]): def copy_Current2Reference(self,sourcefiles=[],targetfiles=[]):
if len(targetfiles) == 0: targetfiles = sourcefiles if len(targetfiles) == 0: targetfiles = sourcefiles
for i,file in enumerate(sourcefiles): for i,f in enumerate(sourcefiles):
try: try:
shutil.copy2(self.fileInCurrent(file),self.fileInReference(targetfiles[i])) shutil.copy2(self.fileInCurrent(f),self.fileInReference(targetfiles[i]))
except: except:
logging.critical('Current2Reference: Unable to copy file "{}"'.format(file)) logging.critical('Current2Reference: Unable to copy file "{}"'.format(f))
raise
def copy_Proof2Current(self,sourcefiles=[],targetfiles=[]): def copy_Proof2Current(self,sourcefiles=[],targetfiles=[]):
if len(targetfiles) == 0: targetfiles = sourcefiles if len(targetfiles) == 0: targetfiles = sourcefiles
for i,file in enumerate(sourcefiles): for i,f in enumerate(sourcefiles):
try: try:
shutil.copy2(self.fileInProof(file),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInProof(f),self.fileInCurrent(targetfiles[i]))
except: except:
logging.critical('Proof2Current: Unable to copy file "{}"'.format(file)) logging.critical('Proof2Current: Unable to copy file "{}"'.format(f))
raise
def copy_Current2Current(self,sourcefiles=[],targetfiles=[]): def copy_Current2Current(self,sourcefiles=[],targetfiles=[]):
for i,file in enumerate(sourcefiles): for i,f in enumerate(sourcefiles):
try: try:
shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
except: except:
logging.critical('Current2Current: Unable to copy file "{}"'.format(file)) logging.critical('Current2Current: Unable to copy file "{}"'.format(f))
raise
def execute_inCurrentDir(self,cmd,streamIn=None): def execute_inCurrentDir(self,cmd,streamIn=None):

2
processing/post/postResults.py
View File

@ -851,7 +851,7 @@ for opt in ['nodalScalar','elemScalar','elemTensor','homogenizationResult','crys
if options.info: if options.info:
if options.filetype == 'marc': if options.filetype == 'marc':
print('\n\nMentat release {}'.format(damask.solver.Marc().version('../../'))) print('\n\nMentat release {}'.format(damask.solver.Marc().version()))
if options.filetype == 'spectral': if options.filetype == 'spectral':
print('\n\n{}'.format(p)) print('\n\n{}'.format(p))

134
processing/pre/geom_addPrimitive.py
View File

@ -9,8 +9,6 @@ import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0] scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version]) scriptID = ' '.join([scriptName,damask.version])
oversampling = 2.
#-------------------------------------------------------------------------------------------------- #--------------------------------------------------------------------------------------------------
# MAIN # MAIN
#-------------------------------------------------------------------------------------------------- #--------------------------------------------------------------------------------------------------
@ -33,40 +31,49 @@ Depending on the sign of the dimension parameters, these objects can be boxes, c
""", version = scriptID) """, version = scriptID)
parser.add_option('-c', '--center', dest='center', type='int', nargs = 3, metavar=' '.join(['int']*3), parser.add_option('-c', '--center', dest='center', type='float', nargs = 3, metavar=' '.join(['float']*3),
help='a,b,c origin of primitive %default') help='a,b,c origin of primitive %default')
parser.add_option('-d', '--dimension', dest='dimension', type='int', nargs = 3, metavar=' '.join(['int']*3), parser.add_option('-d', '--dimension', dest='dimension', type='float', nargs = 3, metavar=' '.join(['float']*3),
help='a,b,c extension of hexahedral box; negative values are diameters') help='a,b,c extension of hexahedral box; negative values are diameters')
parser.add_option('-e', '--exponent', dest='exponent', type='float', nargs = 3, metavar=' '.join(['float']*3),
help='i,j,k exponents for axes - 2 gives a sphere (x^2 + y^2 + z^2 < 1), 1 makes \
octahedron (|x| + |y| + |z| < 1). Large values produce boxes, 0 - 1 is concave. ')
parser.add_option('-f', '--fill', dest='fill', type='int', metavar = 'int', parser.add_option('-f', '--fill', dest='fill', type='int', metavar = 'int',
help='grain index to fill primitive. "0" selects maximum microstructure index + 1 [%default]') help='grain index to fill primitive. "0" selects maximum microstructure index + 1 [%default]')
parser.add_option('-q', '--quaternion', dest='quaternion', type='float', nargs = 4, metavar=' '.join(['float']*4), parser.add_option('-q', '--quaternion', dest='quaternion', type='float', nargs = 4, metavar=' '.join(['float']*4),
help = 'rotation of primitive as quaternion') help = 'rotation of primitive as quaternion')
parser.add_option('-a', '--angleaxis', dest='angleaxis', nargs = 4, metavar=' '.join(['float']*4), parser.add_option('-a', '--angleaxis', dest='angleaxis', nargs = 4, metavar=' '.join(['float']*4),
help = 'rotation of primitive as angle and axis') help = 'angle,x,y,z clockwise rotation of primitive about axis by angle')
parser.add_option( '--degrees', dest='degrees', action='store_true', parser.add_option( '--degrees', dest='degrees', action='store_true',
help = 'angle is given in degrees [%default]') help = 'angle is given in degrees [%default]')
parser.add_option( '--nonperiodic', dest='periodic', action='store_false',
parser.set_defaults(center = [0,0,0], help = 'wrap around edges [%default]')
parser.add_option( '--voxelspace', dest='voxelspace', action='store_true',
help = '-c and -d are given in (0 to grid) coordinates instead of (origin to origin+size) \
coordinates [%default]')
parser.set_defaults(center = (.0,.0,.0),
fill = 0, fill = 0,
quaternion = [],
angleaxis = [],
degrees = False, degrees = False,
exponent = (1e10,1e10,1e10), # box shape by default
periodic = True,
voxelspace = False
) )
(options, filenames) = parser.parse_args() (options, filenames) = parser.parse_args()
if options.dimension is None:
if options.angleaxis != []: parser.error('no dimension specified.')
if options.angleaxis is not None:
options.angleaxis = map(float,options.angleaxis) options.angleaxis = map(float,options.angleaxis)
rotation = damask.Quaternion().fromAngleAxis(np.radians(options.angleaxis[0]) if options.degrees else options.angleaxis[0], rotation = damask.Quaternion().fromAngleAxis(np.radians(options.angleaxis[0]) if options.degrees else options.angleaxis[0],
options.angleaxis[1:4]).conjugated() options.angleaxis[1:4])
elif options.quaternion != []: elif options.quaternion is not None:
options.quaternion = map(float,options.quaternion) options.quaternion = map(float,options.quaternion)
rotation = damask.Quaternion(options.quaternion).conjugated() rotation = damask.Quaternion(options.quaternion)
else: else:
rotation = damask.Quaternion().conjugated() rotation = damask.Quaternion()
options.center = np.array(options.center) options.center = np.array(options.center)
invRotation = rotation.conjugated() # rotation of gridpos into primitive coordinate system options.dimension = np.array(options.dimension)
# --- loop over input files ------------------------------------------------------------------------- # --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None] if filenames == []: filenames = [None]
@ -108,33 +115,92 @@ for name in filenames:
'microstructures': 0, 'microstructures': 0,
} }
if options.fill == 0: if options.fill == 0:
options.fill = microstructure.max()+1 options.fill = microstructure.max()+1
# If we have a negative dimension, make it an ellipsoid for backwards compatibility
options.exponent = np.where(np.array(options.dimension) > 0, options.exponent, 2)
microstructure = microstructure.reshape(info['grid'],order='F') microstructure = microstructure.reshape(info['grid'],order='F')
if options.dimension is not None: # coordinates given in real space (default) vs voxel space
mask = (np.array(options.dimension) < 0).astype(float) # zero where positive dimension, otherwise one if not options.voxelspace:
dim = abs(np.array(options.dimension)) # dimensions of primitive body options.center += info['origin']
pos = np.zeros(3,dtype='float') options.center *= np.array(info['grid']) / np.array(info['size'])
# hiresPrimitive = np.zeros((2*dim[0],2*dim[1],2*dim[2],3)) # primitive discretized at twice the grid resolution options.dimension *= np.array(info['grid']) / np.array(info['size'])
for i,pos[0] in enumerate(np.arange(-dim[0]/oversampling,(dim[0]+1)/oversampling,1./oversampling)):
for j,pos[1] in enumerate(np.arange(-dim[1]/oversampling,(dim[1]+1)/oversampling,1./oversampling)):
for k,pos[2] in enumerate(np.arange(-dim[2]/oversampling,(dim[2]+1)/oversampling,1./oversampling)):
gridpos = np.floor(rotation*pos) # rotate and lock into spacial grid
primPos = invRotation*gridpos # rotate back to primitive coordinate system
if np.dot(mask*primPos/dim,mask*primPos/dim) <= 0.25 and \
np.all(abs((1.-mask)*primPos/dim) <= 0.5): # inside ellipsoid and inside box
microstructure[int((gridpos[0]+options.center[0])%info['grid'][0]),
int((gridpos[1]+options.center[1])%info['grid'][1]),
int((gridpos[2]+options.center[2])%info['grid'][2])] = options.fill # assign microstructure index
size = microstructure.shape
# change to coordinate space where the primitive is the unit sphere/cube/etc
if options.periodic: # use padding to achieve periodicity
(X, Y, Z) = np.meshgrid(np.arange(-size[0]/2, (3*size[0])/2, dtype=np.float32), # 50% padding on each side
np.arange(-size[1]/2, (3*size[1])/2, dtype=np.float32),
np.arange(-size[2]/2, (3*size[2])/2, dtype=np.float32),
indexing='ij')
# Padding handling
X = np.roll(np.roll(np.roll(X,
-size[0]/2, axis=0),
-size[1]/2, axis=1),
-size[2]/2, axis=2)
Y = np.roll(np.roll(np.roll(Y,
-size[0]/2, axis=0),
-size[1]/2, axis=1),
-size[2]/2, axis=2)
Z = np.roll(np.roll(np.roll(Z,
-size[0]/2, axis=0),
-size[1]/2, axis=1),
-size[2]/2, axis=2)
else: # nonperiodic, much lighter on resources
# change to coordinate space where the primitive is the unit sphere/cube/etc
(X, Y, Z) = np.meshgrid(np.arange(0, size[0], dtype=np.float32),
np.arange(0, size[1], dtype=np.float32),
np.arange(0, size[2], dtype=np.float32),
indexing='ij')
# first by translating the center onto 0, 0.5 shifts the voxel origin onto the center of the voxel
X -= options.center[0] - 0.5
Y -= options.center[1] - 0.5
Z -= options.center[2] - 0.5
# and then by applying the quaternion
# this should be rotation.conjugate() * (X,Y,Z), but it is this way for backwards compatibility with the older version of this script
(X, Y, Z) = rotation * (X, Y, Z)
# and finally by scaling (we don't worry about options.dimension being negative, np.abs occurs on the microstructure = np.where... line)
X /= options.dimension[0] * 0.5
Y /= options.dimension[1] * 0.5
Z /= options.dimension[2] * 0.5
# High exponents can cause underflow & overflow - loss of precision is okay here, we just compare it to 1, so +infinity and 0 are fine
old_settings = np.seterr()
np.seterr(over='ignore', under='ignore')
if options.periodic: # use padding to achieve periodicity
inside = np.zeros(size, dtype=bool)
for i in range(2):
for j in range(2):
for k in range(2):
inside = inside | ( # Most of this is handling the padding
np.abs(X[size[0] * i : size[0] * (i+1),
size[1] * j : size[1] * (j+1),
size[2] * k : size[2] * (k+1)])**options.exponent[0] +
np.abs(Y[size[0] * i : size[0] * (i+1),
size[1] * j : size[1] * (j+1),
size[2] * k : size[2] * (k+1)])**options.exponent[1] +
np.abs(Z[size[0] * i : size[0] * (i+1),
size[1] * j : size[1] * (j+1),
size[2] * k : size[2] * (k+1)])**options.exponent[2] < 1)
microstructure = np.where(inside, options.fill, microstructure)
else: # nonperiodic, much lighter on resources
microstructure = np.where(np.abs(X)**options.exponent[0] +
np.abs(Y)**options.exponent[1] +
np.abs(Z)**options.exponent[2] < 1, options.fill, microstructure)
np.seterr(**old_settings) # Reset warnings to old state
newInfo['microstructures'] = microstructure.max() newInfo['microstructures'] = microstructure.max()
# --- report --------------------------------------------------------------------------------------- # --- report ---------------------------------------------------------------------------------------
if ( newInfo['microstructures'] != info['microstructures']): if (newInfo['microstructures'] != info['microstructures']):
damask.util.croak('--> microstructures: %i'%newInfo['microstructures']) damask.util.croak('--> microstructures: %i'%newInfo['microstructures'])

27
processing/pre/mentat_pbcOnBoxMesh.py
View File

@ -153,34 +153,31 @@ parser.add_option("-p", "--port", type="int", dest="port", metavar='int',
help="Mentat connection port [%default]") help="Mentat connection port [%default]")
parser.add_option("-v", "--verbose", action="store_true", dest="verbose", parser.add_option("-v", "--verbose", action="store_true", dest="verbose",
help="write Mentat command stream also to stdout [%default]") help="write Mentat command stream also to stdout [%default]")
parser.set_defaults(port = 40007) parser.set_defaults(port = 40007,
parser.set_defaults(verbose = False) verbose = False)
(options, args) = parser.parse_args() (options, args) = parser.parse_args()
if options.verbose:
file={'croak':sys.stderr}
else:
file={'croak':sys.stdout}
try: try:
import py_mentat import py_mentat
except: except:
file['croak'].write('error: no valid Mentat release found') damask.util.croak('error: no valid Mentat release found')
sys.exit(-1) sys.exit(-1)
outputLocals = {} outputLocals = {}
file['croak'].write('\033[1m'+scriptName+'\033[0m\n\n') damask.util.report(scriptName,'waiting to connect...')
file['croak'].write( 'waiting to connect...\n')
try: try:
py_mentat.py_connect('',options.port) py_mentat.py_connect('',options.port)
# prevent redrawing in Mentat, should be much faster. Since py_connect has no return value, try this to determine if failed or not # prevent redrawing in Mentat, should be much faster.
# Since py_connect has no return value, try this to determine if failed or not
output(['*draw_manual'],outputLocals,'Mentat') output(['*draw_manual'],outputLocals,'Mentat')
except: except:
file['croak'].write('Could not connect. Set Tools/Python/"Run as Separate Process" & "Initiate"...\n') damask.util.croak('Could not connect. Set Tools/Python/"Run as Separate Process" & "Initiate"...')
sys.exit() sys.exit()
file['croak'].write( 'connected...\n')
damask.util.croak('connected...')
output(['*remove_all_servos', output(['*remove_all_servos',
'*sweep_all', '*sweep_all',
@ -190,6 +187,10 @@ output(['*remove_all_servos',
cmds = servoLink() cmds = servoLink()
output(cmds,outputLocals,'Mentat') output(cmds,outputLocals,'Mentat')
output(['*draw_automatic',
],outputLocals,'Mentat') # script depends on consecutive numbering of nodes
py_mentat.py_disconnect() py_mentat.py_disconnect()
if options.verbose: if options.verbose:

1
processing/pre/mentat_spectralBox.py
View File

@ -247,6 +247,7 @@ for name in filenames:
'*identify_sets', '*identify_sets',
'*show_model', '*show_model',
'*redraw', '*redraw',
'*draw_automatic',
] ]
outputLocals = {} outputLocals = {}

27
src/DAMASK_marc.f90
View File

@ -384,6 +384,33 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
end subroutine hypela2 end subroutine hypela2
!--------------------------------------------------------------------------------------------------
!> @brief calculate internal heat generated due to inelastic energy dissipation
!--------------------------------------------------------------------------------------------------
subroutine flux(f,ts,n,time)
use prec, only: &
pReal, &
pInt
use thermal_conduction, only: &
thermal_conduction_getSourceAndItsTangent
use mesh, only: &
mesh_FEasCP
implicit none
real(pReal), dimension(6), intent(in) :: &
ts
integer(pInt), dimension(10), intent(in) :: &
n
real(pReal), intent(in) :: &
time
real(pReal), dimension(2), intent(out) :: &
f
call thermal_conduction_getSourceAndItsTangent(f(1), f(2), ts(3), n(3),mesh_FEasCP('elem',n(1)))
end subroutine flux
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief sets user defined output variables for Marc !> @brief sets user defined output variables for Marc
!> @details select a variable contour plotting (user subroutine). !> @details select a variable contour plotting (user subroutine).

26
src/IO.f90
View File

@ -878,7 +878,7 @@ function IO_spotTagInPart(fileUnit,part,tag,Nsections)
IO_spotTagInPart = .false. ! assume to nowhere spot tag IO_spotTagInPart = .false. ! assume to nowhere spot tag
section = 0_pInt section = 0_pInt
line ='' line = ''
rewind(fileUnit) rewind(fileUnit)
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= part) ! search for part
@ -1669,33 +1669,33 @@ subroutine IO_error(error_ID,el,ip,g,ext_msg)
end select end select
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(/,a)') ' +--------------------------------------------------------+' write(0,'(/,a)') ' +--------------------------------------------------------+'
write(6,'(a)') ' + error +' write(0,'(a)') ' + error +'
write(6,'(a,i3,a)') ' + ',error_ID,' +' write(0,'(a,i3,a)') ' + ',error_ID,' +'
write(6,'(a)') ' + +' write(0,'(a)') ' + +'
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(msg))),',',& write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(msg))),',',&
max(1,60-len(trim(msg))-5),'x,a)' max(1,60-len(trim(msg))-5),'x,a)'
write(6,formatString) '+ ', trim(msg),'+' write(0,formatString) '+ ', trim(msg),'+'
if (present(ext_msg)) then if (present(ext_msg)) then
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(ext_msg))),',',& write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(ext_msg))),',',&
max(1,60-len(trim(ext_msg))-5),'x,a)' max(1,60-len(trim(ext_msg))-5),'x,a)'
write(6,formatString) '+ ', trim(ext_msg),'+' write(0,formatString) '+ ', trim(ext_msg),'+'
endif endif
if (present(el)) then if (present(el)) then
if (present(ip)) then if (present(ip)) then
if (present(g)) then if (present(g)) then
write(6,'(a13,1x,i9,1x,a2,1x,i2,1x,a5,1x,i4,18x,a1)') ' + at element',el,'IP',ip,'grain',g,'+' write(0,'(a13,1x,i9,1x,a2,1x,i2,1x,a5,1x,i4,18x,a1)') ' + at element',el,'IP',ip,'grain',g,'+'
else else
write(6,'(a13,1x,i9,1x,a2,1x,i2,29x,a1)') ' + at element',el,'IP',ip,'+' write(0,'(a13,1x,i9,1x,a2,1x,i2,29x,a1)') ' + at element',el,'IP',ip,'+'
endif endif
else else
write(6,'(a13,1x,i9,35x,a1)') ' + at element',el,'+' write(0,'(a13,1x,i9,35x,a1)') ' + at element',el,'+'
endif endif
elseif (present(ip)) then ! now having the meaning of "instance" elseif (present(ip)) then ! now having the meaning of "instance"
write(6,'(a15,1x,i9,33x,a1)') ' + for instance',ip,'+' write(0,'(a15,1x,i9,33x,a1)') ' + for instance',ip,'+'
endif endif
write(6,'(a)') ' +--------------------------------------------------------+' write(0,'(a)') ' +--------------------------------------------------------+'
flush(6) flush(0)
call quit(9000_pInt+error_ID) call quit(9000_pInt+error_ID)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)

10
src/lattice.f90
View File

@ -1283,11 +1283,9 @@ subroutine lattice_init
a_fcc, & !< lattice parameter a for fcc austenite a_fcc, & !< lattice parameter a for fcc austenite
a_bcc !< lattice paramater a for bcc martensite a_bcc !< lattice paramater a for bcc martensite
mainProcess: if (worldrank == 0) then write(6,'(/,a)') ' <<<+- lattice init -+>>>'
write(6,'(/,a)') ' <<<+- lattice init -+>>>' write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90" #include "compilation_info.f90"
endif mainProcess
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! consistency checks (required since ifort 15.0 does not support sum/maxval in parameter definition) ! consistency checks (required since ifort 15.0 does not support sum/maxval in parameter definition)
@ -1718,7 +1716,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
lattice_trans_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase)) lattice_trans_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase))
do i = 1_pInt, 6_pInt do i = 1_pInt, 6_pInt
if (abs(lattice_trans_C66(i,i,myPhase))<tol_math_check) & if (abs(lattice_trans_C66(i,i,myPhase))<tol_math_check) &
call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip"') call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip" in fcc-->bcc transformation')
enddo enddo
case (LATTICE_hex_ID) case (LATTICE_hex_ID)
c11bar = (lattice_C66(1,1,myPhase) + lattice_C66(1,2,myPhase) + 2.0_pReal*lattice_C66(4,4,myPhase))/2.0_pReal c11bar = (lattice_C66(1,1,myPhase) + lattice_C66(1,2,myPhase) + 2.0_pReal*lattice_C66(4,4,myPhase))/2.0_pReal
@ -1751,7 +1749,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA,CoverA_trans,a_fcc,a_bcc)
lattice_trans_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase)) lattice_trans_C66(1:6,1:6,myPhase) = math_Mandel3333to66(lattice_trans_C3333(1:3,1:3,1:3,1:3,myPhase))
do i = 1_pInt, 6_pInt do i = 1_pInt, 6_pInt
if (abs(lattice_trans_C66(i,i,myPhase))<tol_math_check) & if (abs(lattice_trans_C66(i,i,myPhase))<tol_math_check) &
call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip"') call IO_error(135_pInt,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip" in fcc-->hex transformation')
enddo enddo
end select end select
end select end select

11
src/material.f90
View File

@ -619,7 +619,7 @@ subroutine material_parseHomogenization(fileUnit,myPart)
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('type') case ('type','mech','mechanical')
select case (IO_lc(IO_stringValue(line,chunkPos,2_pInt))) select case (IO_lc(IO_stringValue(line,chunkPos,2_pInt)))
case(HOMOGENIZATION_NONE_label) case(HOMOGENIZATION_NONE_label)
homogenization_type(section) = HOMOGENIZATION_NONE_ID homogenization_type(section) = HOMOGENIZATION_NONE_ID
@ -758,7 +758,7 @@ subroutine material_parseMicrostructure(fileUnit,myPart)
allocate(microstructure_elemhomo(Nsections), source=.false.) allocate(microstructure_elemhomo(Nsections), source=.false.)
if(any(mesh_element(4,1:mesh_NcpElems) > Nsections)) & if(any(mesh_element(4,1:mesh_NcpElems) > Nsections)) &
call IO_error(155_pInt,ext_msg='Microstructure in geometry > Sections in material.config') call IO_error(155_pInt,ext_msg='More microstructures in geometry than sections in material.config')
forall (e = 1_pInt:mesh_NcpElems) microstructure_active(mesh_element(4,e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements forall (e = 1_pInt:mesh_NcpElems) microstructure_active(mesh_element(4,e)) = .true. ! current microstructure used in model? Elementwise view, maximum N operations for N elements
@ -801,7 +801,7 @@ subroutine material_parseMicrostructure(fileUnit,myPart)
microstructure_crystallite(section) = IO_intValue(line,chunkPos,2_pInt) microstructure_crystallite(section) = IO_intValue(line,chunkPos,2_pInt)
case ('(constituent)') case ('(constituent)')
constituent = constituent + 1_pInt constituent = constituent + 1_pInt
do i=2_pInt,6_pInt,2_pInt do i = 2_pInt,6_pInt,2_pInt
tag = IO_lc(IO_stringValue(line,chunkPos,i)) tag = IO_lc(IO_stringValue(line,chunkPos,i))
select case (tag) select case (tag)
case('phase') case('phase')
@ -816,6 +816,11 @@ subroutine material_parseMicrostructure(fileUnit,myPart)
endif endif
enddo enddo
!sanity check
do section = 1_pInt, Nsections
if (sum(microstructure_fraction(:,section)) /= 1.0_pReal) &
call IO_error(153_pInt,ext_msg=microstructure_name(section))
enddo
end subroutine material_parseMicrostructure end subroutine material_parseMicrostructure

3
src/math.f90
View File

@ -1180,6 +1180,9 @@ end function math_Voigt66to3333
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief random quaternion !> @brief random quaternion
! http://math.stackexchange.com/questions/131336/uniform-random-quaternion-in-a-restricted-angle-range
! K. Shoemake. Uniform random rotations. In D. Kirk, editor, Graphics Gems III, pages 124-132.
! Academic, New York, 1992.
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
function math_qRand() function math_qRand()

3
src/mesh.f90
View File

@ -472,9 +472,8 @@ contains
!! Order and routines strongly depend on type of solver !! Order and routines strongly depend on type of solver
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
subroutine mesh_init(ip,el) subroutine mesh_init(ip,el)
use, intrinsic :: iso_c_binding
use DAMASK_interface
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
use DAMASK_interface
use IO, only: & use IO, only: &
#ifdef Abaqus #ifdef Abaqus
IO_abaqus_hasNoPart, & IO_abaqus_hasNoPart, &

4
src/numerics.f90
View File

@ -694,9 +694,9 @@ subroutine numerics_init
.not. memory_efficient) call IO_error(error_ID = 847_pInt) .not. memory_efficient) call IO_error(error_ID = 847_pInt)
if (err_stress_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolRel') if (err_stress_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolRel')
if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolAbs') if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolAbs')
if (err_div_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolRel') if (err_div_tolRel < 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolRel')
if (err_div_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolAbs') if (err_div_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolAbs')
if (err_curl_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolRel') if (err_curl_tolRel < 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolRel')
if (err_curl_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolAbs') if (err_curl_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolAbs')
if (polarAlpha <= 0.0_pReal .or. & if (polarAlpha <= 0.0_pReal .or. &
polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha') polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha')

60
src/spectral_interface.f90
View File

@ -20,7 +20,6 @@ module DAMASK_interface
geometryFile = '', & !< parameter given for geometry file geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file loadCaseFile = '' !< parameter given for load case file
character(len=1024), private :: workingDirectory !< accessed by getSolverWorkingDirectoryName for compatibility reasons character(len=1024), private :: workingDirectory !< accessed by getSolverWorkingDirectoryName for compatibility reasons
character, private,parameter :: pathSep = '/'
public :: & public :: &
getSolverWorkingDirectoryName, & getSolverWorkingDirectoryName, &
@ -95,6 +94,14 @@ subroutine DAMASK_interface_init()
write(output_unit,'(a)') ' STDOUT != 6' write(output_unit,'(a)') ' STDOUT != 6'
call quit(1_pInt) call quit(1_pInt)
endif endif
if (error_unit /= 0) then
write(output_unit,'(a)') ' STDERR != 0'
call quit(1_pInt)
endif
if (PETSC_VERSION_MAJOR /= 3 .or. PETSC_VERSION_MINOR /= 7) then
write(6,'(a,2(i1.1,a))') 'PETSc ',PETSC_VERSION_MAJOR,'.',PETSC_VERSION_MINOR,'.x not supported'
call quit(1_pInt)
endif
else mainProcess else mainProcess
close(6) ! disable output for non-master processes (open 6 to rank specific file for debug) close(6) ! disable output for non-master processes (open 6 to rank specific file for debug)
open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd open(6,file='/dev/null',status='replace') ! close(6) alone will leave some temp files in cwd
@ -164,7 +171,7 @@ subroutine DAMASK_interface_init()
write(6,'(a)') ' Help:' write(6,'(a)') ' Help:'
write(6,'(/,a)')' --help' write(6,'(/,a)')' --help'
write(6,'(a,/)')' Prints this message and exits' write(6,'(a,/)')' Prints this message and exits'
call quit(0_pInt) ! normal Termination call quit(0_pInt) ! normal Termination
case ('-l', '--load', '--loadcase') case ('-l', '--load', '--loadcase')
loadcaseArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt) loadcaseArg = IIO_stringValue(commandLine,chunkPos,i+1_pInt)
case ('-g', '--geom', '--geometry') case ('-g', '--geom', '--geometry')
@ -190,7 +197,6 @@ subroutine DAMASK_interface_init()
error = getHostName(hostName) error = getHostName(hostName)
write(6,'(a,a)') ' Host name: ', trim(hostName) write(6,'(a,a)') ' Host name: ', trim(hostName)
write(6,'(a,a)') ' User name: ', trim(userName) write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(a,a)') ' Path separator: ', pathSep
write(6,'(a,a)') ' Command line call: ', trim(commandLine) write(6,'(a,a)') ' Command line call: ', trim(commandLine)
if (len(trim(workingDirArg))>0) & if (len(trim(workingDirArg))>0) &
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg) write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
@ -225,22 +231,22 @@ character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryA
external :: quit external :: quit
wdGiven: if (len(workingDirectoryArg)>0) then wdGiven: if (len(workingDirectoryArg)>0) then
absolutePath: if (workingDirectoryArg(1:1) == pathSep) then absolutePath: if (workingDirectoryArg(1:1) == '/') then
storeWorkingDirectory = workingDirectoryArg storeWorkingDirectory = workingDirectoryArg
else absolutePath else absolutePath
error = getCWD(cwd) error = getCWD(cwd)
if (error) call quit(1_pInt) if (error) call quit(1_pInt)
storeWorkingDirectory = trim(cwd)//pathSep//workingDirectoryArg storeWorkingDirectory = trim(cwd)//'/'//workingDirectoryArg
endif absolutePath endif absolutePath
if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) /= pathSep) & if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) /= '/') &
storeWorkingDirectory = trim(storeWorkingDirectory)//pathSep ! if path seperator is not given, append it storeWorkingDirectory = trim(storeWorkingDirectory)//'/' ! if path seperator is not given, append it
else wdGiven else wdGiven
if (geometryArg(1:1) == pathSep) then ! absolute path given as command line argument if (geometryArg(1:1) == '/') then ! absolute path given as command line argument
storeWorkingDirectory = geometryArg(1:scan(geometryArg,pathSep,back=.true.)) storeWorkingDirectory = geometryArg(1:scan(geometryArg,'/',back=.true.))
else else
error = getCWD(cwd) ! relative path given as command line argument error = getCWD(cwd) ! relative path given as command line argument
if (error) call quit(1_pInt) if (error) call quit(1_pInt)
storeWorkingDirectory = trim(cwd)//pathSep//geometryArg(1:scan(geometryArg,pathSep,back=.true.)) storeWorkingDirectory = trim(cwd)//'/'//geometryArg(1:scan(geometryArg,'/',back=.true.))
endif endif
endif wdGiven endif wdGiven
@ -277,13 +283,13 @@ character(len=1024) function getSolverJobName()
tempString = geometryFile tempString = geometryFile
posExt = scan(tempString,'.',back=.true.) posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,pathSep,back=.true.) posSep = scan(tempString,'/',back=.true.)
getSolverJobName = tempString(posSep+1:posExt-1) getSolverJobName = tempString(posSep+1:posExt-1)
tempString = loadCaseFile tempString = loadCaseFile
posExt = scan(tempString,'.',back=.true.) posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,pathSep,back=.true.) posSep = scan(tempString,'/',back=.true.)
getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1) getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1)
@ -308,13 +314,13 @@ character(len=1024) function getGeometryFile(geometryParameter)
getGeometryFile = geometryParameter getGeometryFile = geometryParameter
posExt = scan(getGeometryFile,'.',back=.true.) posExt = scan(getGeometryFile,'.',back=.true.)
posSep = scan(getGeometryFile,pathSep,back=.true.) posSep = scan(getGeometryFile,'/',back=.true.)
if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom') ! no extension present if (posExt <= posSep) getGeometryFile = trim(getGeometryFile)//('.geom') ! no extension present
if (scan(getGeometryFile,pathSep) /= 1) then ! relative path given as command line argument if (scan(getGeometryFile,'/') /= 1) then ! relative path given as command line argument
error = getcwd(cwd) error = getcwd(cwd)
if (error) call quit(1_pInt) if (error) call quit(1_pInt)
getGeometryFile = rectifyPath(trim(cwd)//pathSep//getGeometryFile) getGeometryFile = rectifyPath(trim(cwd)//'/'//getGeometryFile)
else else
getGeometryFile = rectifyPath(getGeometryFile) getGeometryFile = rectifyPath(getGeometryFile)
endif endif
@ -342,13 +348,13 @@ character(len=1024) function getLoadCaseFile(loadCaseParameter)
getLoadCaseFile = loadcaseParameter getLoadCaseFile = loadcaseParameter
posExt = scan(getLoadCaseFile,'.',back=.true.) posExt = scan(getLoadCaseFile,'.',back=.true.)
posSep = scan(getLoadCaseFile,pathSep,back=.true.) posSep = scan(getLoadCaseFile,'/',back=.true.)
if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load') ! no extension present if (posExt <= posSep) getLoadCaseFile = trim(getLoadCaseFile)//('.load') ! no extension present
if (scan(getLoadCaseFile,pathSep) /= 1) then ! relative path given as command line argument if (scan(getLoadCaseFile,'/') /= 1) then ! relative path given as command line argument
error = getcwd(cwd) error = getcwd(cwd)
if (error) call quit(1_pInt) if (error) call quit(1_pInt)
getLoadCaseFile = rectifyPath(trim(cwd)//pathSep//getLoadCaseFile) getLoadCaseFile = rectifyPath(trim(cwd)//'/'//getLoadCaseFile)
else else
getLoadCaseFile = rectifyPath(getLoadCaseFile) getLoadCaseFile = rectifyPath(getLoadCaseFile)
endif endif
@ -373,26 +379,26 @@ function rectifyPath(path)
l = len_trim(path) l = len_trim(path)
rectifyPath = path rectifyPath = path
do i = l,3,-1 do i = l,3,-1
if (rectifyPath(i-2:i) == pathSep//'.'//pathSep) & if (rectifyPath(i-2:i) == '/'//'.'//'/') &
rectifyPath(i-1:l) = rectifyPath(i+1:l)//' ' rectifyPath(i-1:l) = rectifyPath(i+1:l)//' '
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! remove ../ and corresponding directory from rectifyPath ! remove ../ and corresponding directory from rectifyPath
l = len_trim(rectifyPath) l = len_trim(rectifyPath)
i = index(rectifyPath(i:l),'..'//pathSep) i = index(rectifyPath(i:l),'..'//'/')
j = 0 j = 0
do while (i > j) do while (i > j)
j = scan(rectifyPath(1:i-2),pathSep,back=.true.) j = scan(rectifyPath(1:i-2),'/',back=.true.)
rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j) rectifyPath(j+1:l) = rectifyPath(i+3:l)//repeat(' ',2+i-j)
if (rectifyPath(j+1:j+1) == pathSep) then !search for '//' that appear in case of XXX/../../XXX if (rectifyPath(j+1:j+1) == '/') then !search for '//' that appear in case of XXX/../../XXX
k = len_trim(rectifyPath) k = len_trim(rectifyPath)
rectifyPath(j+1:k-1) = rectifyPath(j+2:k) rectifyPath(j+1:k-1) = rectifyPath(j+2:k)
rectifyPath(k:k) = ' ' rectifyPath(k:k) = ' '
endif endif
i = j+index(rectifyPath(j+1:l),'..'//pathSep) i = j+index(rectifyPath(j+1:l),'..'//'/')
enddo enddo
if(len_trim(rectifyPath) == 0) rectifyPath = pathSep if(len_trim(rectifyPath) == 0) rectifyPath = '/'
end function rectifyPath end function rectifyPath
@ -411,12 +417,12 @@ character(len=1024) function makeRelativePath(a,b)
do i = 1, min(1024,len_trim(a),len_trim(b)) do i = 1, min(1024,len_trim(a),len_trim(b))
if (a(i:i) /= b(i:i)) exit if (a(i:i) /= b(i:i)) exit
if (a(i:i) == pathSep) posLastCommonSlash = i if (a(i:i) == '/') posLastCommonSlash = i
enddo enddo
do i = posLastCommonSlash+1,len_trim(a) do i = posLastCommonSlash+1,len_trim(a)
if (a(i:i) == pathSep) remainingSlashes = remainingSlashes + 1 if (a(i:i) == '/') remainingSlashes = remainingSlashes + 1
enddo enddo
makeRelativePath = repeat('..'//pathSep,remainingSlashes)//b(posLastCommonSlash+1:len_trim(b)) makeRelativePath = repeat('..'//'/',remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
end function makeRelativePath end function makeRelativePath

9
src/spectral_utilities.f90
View File

@ -227,12 +227,13 @@ subroutine utilities_init()
trim(PETScDebug), & trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.config '; flush(6) ' add more using the PETSc_Options keyword in numerics.config '; flush(6)
call PetscOptionsClear(ierr); CHKERRQ(ierr) call PetscOptionsClear(PETSC_NULL_OBJECT,ierr)
if(debugPETSc) call PetscOptionsInsertString(trim(PETSCDEBUG),ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call PetscOptionsInsertString(trim(petsc_defaultOptions),ierr) if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(PETSCDEBUG),ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
call PetscOptionsInsertString(trim(petsc_options),ierr) call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(petsc_defaultOptions),ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OBJECT,trim(petsc_options),ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
grid1Red = grid(1)/2_pInt + 1_pInt grid1Red = grid(1)/2_pInt + 1_pInt