223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

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
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
.gitignore vendored
View File

@ -1,4 +1,4 @@
code
.noH5py
*.pyc
*.mod
*.o
@ -6,5 +6,4 @@ code
*.bak
*~
bin
PRIVATE
build

490
.gitlab-ci.yml Normal file
View File

@ -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
View File

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

13
DAMASK_env.sh
View File

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

4
DAMASK_env.zsh
View File

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

2
LICENSE
View File

@ -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
it under the terms of the GNU General Public License as published by

2
VERSION
View File

@ -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 ###
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]
p_shearband 1.0 # p-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
h0_slipslip 1000.0e6
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
(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
h0_slipslip 563.0e9
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
(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
gdot0_twin 0.001
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_twinslip 0
h0_twintwin 0
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

10
examples/ConfigFiles/Phase_Phenopowerlaw_multiField.config
View File

@ -29,18 +29,8 @@ 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_twinslip 0
h0_twintwin 0
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
(stiffness_degradation) damage

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

@ -2,7 +2,7 @@
<homogenization>
#-------------------#
{../../code/config/Homogenization_None_Dummy.config}
{../ConfigFiles/Homogenization_None_Dummy.config}
#-------------------#
<microstructure>
@ -524,12 +524,12 @@ crystallite 1
<crystallite>
#-------------------#
{../../code/config/Crystallite_All.config}
{../ConfigFiles/Crystallite_All.config}
#-------------------#
<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
tausat_slip 63e6 # per family
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_sliptwin 0
h0_twinslip 0
h0_twintwin 0
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

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

2
installation/mods_MarcMentat/apply_DAMASK_modifications.sh
View File

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

19
lib/damask/__init__.py
View File

@ -1,7 +1,13 @@
# -*- coding: UTF-8 no BOM -*-
"""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:
version = f.readline()[:-1]
@ -10,8 +16,17 @@ from .environment import Environment # noqa
from .asciitable import ASCIItable # noqa
try:
from .h5table import H5Table # noqa
if os.path.exists(h5py_flag): os.remove(h5py_flag) # delete flagging file on success
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 .colormaps import Colormap, Color # noqa
from .orientation import Quaternion, Rodrigues, Symmetry, Orientation # noqa

2
lib/damask/environment.py
View File

@ -33,7 +33,7 @@ class Environment():
'explicit':5}
if Nneeded == -1: Nneeded = licensesNeeded[software]
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)
licenses = list(map(int, process.stdout.readline().split()))
try:

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

@ -203,58 +203,63 @@ class Test():
shutil.copy2(source,target)
except:
logging.critical('error copying {} to {}'.format(source,target))
raise
def copy_Reference2Current(self,sourcefiles=[],targetfiles=[]):
if len(targetfiles) == 0: targetfiles = sourcefiles
for i,file in enumerate(sourcefiles):
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i]))
shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
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=[]):
source=os.path.normpath(os.path.join(self.dirBase,'../../..',sourceDir))
if len(targetfiles) == 0: targetfiles = sourcefiles
for i,file in enumerate(sourcefiles):
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(os.path.join(source,file),self.fileInCurrent(targetfiles[i]))
shutil.copy2(os.path.join(source,f),self.fileInCurrent(targetfiles[i]))
except:
logging.error(os.path.join(source,file))
logging.critical('Base2Current: Unable to copy file "{}"'.format(file))
logging.error(os.path.join(source,f))
logging.critical('Base2Current: Unable to copy file "{}"'.format(f))
raise
def copy_Current2Reference(self,sourcefiles=[],targetfiles=[]):
if len(targetfiles) == 0: targetfiles = sourcefiles
for i,file in enumerate(sourcefiles):
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(self.fileInCurrent(file),self.fileInReference(targetfiles[i]))
shutil.copy2(self.fileInCurrent(f),self.fileInReference(targetfiles[i]))
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=[]):
if len(targetfiles) == 0: targetfiles = sourcefiles
for i,file in enumerate(sourcefiles):
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(self.fileInProof(file),self.fileInCurrent(targetfiles[i]))
shutil.copy2(self.fileInProof(f),self.fileInCurrent(targetfiles[i]))
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=[]):
for i,file in enumerate(sourcefiles):
for i,f in enumerate(sourcefiles):
try:
shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i]))
shutil.copy2(self.fileInReference(f),self.fileInCurrent(targetfiles[i]))
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):

2
processing/post/postResults.py
View File

@ -851,7 +851,7 @@ for opt in ['nodalScalar','elemScalar','elemTensor','homogenizationResult','crys
if options.info:
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':
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]
scriptID = ' '.join([scriptName,damask.version])
oversampling = 2.
#--------------------------------------------------------------------------------------------------
# MAIN
#--------------------------------------------------------------------------------------------------
@ -33,40 +31,49 @@ Depending on the sign of the dimension parameters, these objects can be boxes, c
""", 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')
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')
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',
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),
help = 'rotation of primitive as quaternion')
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',
help = 'angle is given in degrees [%default]')
parser.set_defaults(center = [0,0,0],
parser.add_option( '--nonperiodic', dest='periodic', action='store_false',
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,
quaternion = [],
angleaxis = [],
degrees = False,
exponent = (1e10,1e10,1e10), # box shape by default
periodic = True,
voxelspace = False
)
(options, filenames) = parser.parse_args()
if options.angleaxis != []:
if options.dimension is None:
parser.error('no dimension specified.')
if options.angleaxis is not None:
options.angleaxis = map(float,options.angleaxis)
rotation = damask.Quaternion().fromAngleAxis(np.radians(options.angleaxis[0]) if options.degrees else options.angleaxis[0],
options.angleaxis[1:4]).conjugated()
elif options.quaternion != []:
options.angleaxis[1:4])
elif options.quaternion is not None:
options.quaternion = map(float,options.quaternion)
rotation = damask.Quaternion(options.quaternion).conjugated()
rotation = damask.Quaternion(options.quaternion)
else:
rotation = damask.Quaternion().conjugated()
rotation = damask.Quaternion()
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 -------------------------------------------------------------------------
if filenames == []: filenames = [None]
@ -108,33 +115,92 @@ for name in filenames:
'microstructures': 0,
}
if options.fill == 0:
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')
if options.dimension is not None:
mask = (np.array(options.dimension) < 0).astype(float) # zero where positive dimension, otherwise one
dim = abs(np.array(options.dimension)) # dimensions of primitive body
pos = np.zeros(3,dtype='float')
# hiresPrimitive = np.zeros((2*dim[0],2*dim[1],2*dim[2],3)) # primitive discretized at twice the grid resolution
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
# coordinates given in real space (default) vs voxel space
if not options.voxelspace:
options.center += info['origin']
options.center *= np.array(info['grid']) / np.array(info['size'])
options.dimension *= np.array(info['grid']) / np.array(info['size'])
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()
# --- report ---------------------------------------------------------------------------------------
if ( newInfo['microstructures'] != info['microstructures']):
if (newInfo['microstructures'] != info['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]")
parser.add_option("-v", "--verbose", action="store_true", dest="verbose",
help="write Mentat command stream also to stdout [%default]")
parser.set_defaults(port = 40007)
parser.set_defaults(verbose = False)
parser.set_defaults(port = 40007,
verbose = False)
(options, args) = parser.parse_args()
if options.verbose:
file={'croak':sys.stderr}
else:
file={'croak':sys.stdout}
try:
import py_mentat
except:
file['croak'].write('error: no valid Mentat release found')
damask.util.croak('error: no valid Mentat release found')
sys.exit(-1)
outputLocals = {}
file['croak'].write('\033[1m'+scriptName+'\033[0m\n\n')
file['croak'].write( 'waiting to connect...\n')
damask.util.report(scriptName,'waiting to connect...')
try:
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')
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()
file['croak'].write( 'connected...\n')
damask.util.croak('connected...')
output(['*remove_all_servos',
'*sweep_all',
@ -190,6 +187,10 @@ output(['*remove_all_servos',
cmds = servoLink()
output(cmds,outputLocals,'Mentat')
output(['*draw_automatic',
],outputLocals,'Mentat') # script depends on consecutive numbering of nodes
py_mentat.py_disconnect()
if options.verbose:

1
processing/pre/mentat_spectralBox.py
View File

@ -247,6 +247,7 @@ for name in filenames:
'*identify_sets',
'*show_model',
'*redraw',
'*draw_automatic',
]
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
!--------------------------------------------------------------------------------------------------
!> @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
!> @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
section = 0_pInt
line =''
line = ''
rewind(fileUnit)
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
!$OMP CRITICAL (write2out)
write(6,'(/,a)') ' +--------------------------------------------------------+'
write(6,'(a)') ' + error +'
write(6,'(a,i3,a)') ' + ',error_ID,' +'
write(6,'(a)') ' + +'
write(0,'(/,a)') ' +--------------------------------------------------------+'
write(0,'(a)') ' + error +'
write(0,'(a,i3,a)') ' + ',error_ID,' +'
write(0,'(a)') ' + +'
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(msg))),',',&
max(1,60-len(trim(msg))-5),'x,a)'
write(6,formatString) '+ ', trim(msg),'+'
write(0,formatString) '+ ', trim(msg),'+'
if (present(ext_msg)) then
write(formatString,'(a,i6.6,a,i6.6,a)') '(1x,a2,a',max(1,len(trim(ext_msg))),',',&
max(1,60-len(trim(ext_msg))-5),'x,a)'
write(6,formatString) '+ ', trim(ext_msg),'+'
write(0,formatString) '+ ', trim(ext_msg),'+'
endif
if (present(el)) then
if (present(ip)) then
if (present(g)) then
write(6,'(a13,1x,i9,1x,a2,1x,i2,1x,a5,1x,i4,18x,a1)') ' + at element',el,'IP',ip,'grain',g,'+'
write(0,'(a13,1x,i9,1x,a2,1x,i2,1x,a5,1x,i4,18x,a1)') ' + at element',el,'IP',ip,'grain',g,'+'
else
write(6,'(a13,1x,i9,1x,a2,1x,i2,29x,a1)') ' + at element',el,'IP',ip,'+'
write(0,'(a13,1x,i9,1x,a2,1x,i2,29x,a1)') ' + at element',el,'IP',ip,'+'
endif
else
write(6,'(a13,1x,i9,35x,a1)') ' + at element',el,'+'
write(0,'(a13,1x,i9,35x,a1)') ' + at element',el,'+'
endif
elseif (present(ip)) then ! now having the meaning of "instance"
write(6,'(a15,1x,i9,33x,a1)') ' + for instance',ip,'+'
write(0,'(a15,1x,i9,33x,a1)') ' + for instance',ip,'+'
endif
write(6,'(a)') ' +--------------------------------------------------------+'
flush(6)
write(0,'(a)') ' +--------------------------------------------------------+'
flush(0)
call quit(9000_pInt+error_ID)
!$OMP END CRITICAL (write2out)

6
src/lattice.f90
View File

@ -1283,11 +1283,9 @@ subroutine lattice_init
a_fcc, & !< lattice parameter a for fcc austenite
a_bcc !< lattice paramater a for bcc martensite
mainProcess: if (worldrank == 0) then
write(6,'(/,a)') ' <<<+- lattice init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
endif mainProcess
!--------------------------------------------------------------------------------------------------
! 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))
do i = 1_pInt, 6_pInt
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
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
@ -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))
do i = 1_pInt, 6_pInt
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
end select
end select

11
src/material.f90
View File

@ -619,7 +619,7 @@ subroutine material_parseHomogenization(fileUnit,myPart)
chunkPos = IO_stringPos(line)
tag = IO_lc(IO_stringValue(line,chunkPos,1_pInt)) ! extract key
select case(tag)
case ('type')
case ('type','mech','mechanical')
select case (IO_lc(IO_stringValue(line,chunkPos,2_pInt)))
case(HOMOGENIZATION_NONE_label)
homogenization_type(section) = HOMOGENIZATION_NONE_ID
@ -758,7 +758,7 @@ subroutine material_parseMicrostructure(fileUnit,myPart)
allocate(microstructure_elemhomo(Nsections), source=.false.)
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
@ -801,7 +801,7 @@ subroutine material_parseMicrostructure(fileUnit,myPart)
microstructure_crystallite(section) = IO_intValue(line,chunkPos,2_pInt)
case ('(constituent)')
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))
select case (tag)
case('phase')
@ -816,6 +816,11 @@ subroutine material_parseMicrostructure(fileUnit,myPart)
endif
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

3
src/math.f90
View File

@ -1180,6 +1180,9 @@ end function math_Voigt66to3333
!--------------------------------------------------------------------------------------------------
!> @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()

3
src/mesh.f90
View File

@ -472,9 +472,8 @@ contains
!! Order and routines strongly depend on type of solver
!--------------------------------------------------------------------------------------------------
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 DAMASK_interface
use IO, only: &
#ifdef Abaqus
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)
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_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_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 (polarAlpha <= 0.0_pReal .or. &
polarAlpha > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarAlpha')

58
src/spectral_interface.f90
View File

@ -20,7 +20,6 @@ module DAMASK_interface
geometryFile = '', & !< parameter given for geometry file
loadCaseFile = '' !< parameter given for load case file
character(len=1024), private :: workingDirectory !< accessed by getSolverWorkingDirectoryName for compatibility reasons
character, private,parameter :: pathSep = '/'
public :: &
getSolverWorkingDirectoryName, &
@ -95,6 +94,14 @@ subroutine DAMASK_interface_init()
write(output_unit,'(a)') ' STDOUT != 6'
call quit(1_pInt)
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
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
@ -190,7 +197,6 @@ subroutine DAMASK_interface_init()
error = getHostName(hostName)
write(6,'(a,a)') ' Host name: ', trim(hostName)
write(6,'(a,a)') ' User name: ', trim(userName)
write(6,'(a,a)') ' Path separator: ', pathSep
write(6,'(a,a)') ' Command line call: ', trim(commandLine)
if (len(trim(workingDirArg))>0) &
write(6,'(a,a)') ' Working dir argument: ', trim(workingDirArg)
@ -225,22 +231,22 @@ character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryA
external :: quit
wdGiven: if (len(workingDirectoryArg)>0) then
absolutePath: if (workingDirectoryArg(1:1) == pathSep) then
absolutePath: if (workingDirectoryArg(1:1) == '/') then
storeWorkingDirectory = workingDirectoryArg
else absolutePath
error = getCWD(cwd)
if (error) call quit(1_pInt)
storeWorkingDirectory = trim(cwd)//pathSep//workingDirectoryArg
storeWorkingDirectory = trim(cwd)//'/'//workingDirectoryArg
endif absolutePath
if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) /= pathSep) &
storeWorkingDirectory = trim(storeWorkingDirectory)//pathSep ! if path seperator is not given, append it
if (storeWorkingDirectory(len(trim(storeWorkingDirectory)):len(trim(storeWorkingDirectory))) /= '/') &
storeWorkingDirectory = trim(storeWorkingDirectory)//'/' ! if path seperator is not given, append it
else wdGiven
if (geometryArg(1:1) == pathSep) then ! absolute path given as command line argument
storeWorkingDirectory = geometryArg(1:scan(geometryArg,pathSep,back=.true.))
if (geometryArg(1:1) == '/') then ! absolute path given as command line argument
storeWorkingDirectory = geometryArg(1:scan(geometryArg,'/',back=.true.))
else
error = getCWD(cwd) ! relative path given as command line argument
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 wdGiven
@ -277,13 +283,13 @@ character(len=1024) function getSolverJobName()
tempString = geometryFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,pathSep,back=.true.)
posSep = scan(tempString,'/',back=.true.)
getSolverJobName = tempString(posSep+1:posExt-1)
tempString = loadCaseFile
posExt = scan(tempString,'.',back=.true.)
posSep = scan(tempString,pathSep,back=.true.)
posSep = scan(tempString,'/',back=.true.)
getSolverJobName = trim(getSolverJobName)//'_'//tempString(posSep+1:posExt-1)
@ -308,13 +314,13 @@ character(len=1024) function getGeometryFile(geometryParameter)
getGeometryFile = geometryParameter
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 (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)
if (error) call quit(1_pInt)
getGeometryFile = rectifyPath(trim(cwd)//pathSep//getGeometryFile)
getGeometryFile = rectifyPath(trim(cwd)//'/'//getGeometryFile)
else
getGeometryFile = rectifyPath(getGeometryFile)
endif
@ -342,13 +348,13 @@ character(len=1024) function getLoadCaseFile(loadCaseParameter)
getLoadCaseFile = loadcaseParameter
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 (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)
if (error) call quit(1_pInt)
getLoadCaseFile = rectifyPath(trim(cwd)//pathSep//getLoadCaseFile)
getLoadCaseFile = rectifyPath(trim(cwd)//'/'//getLoadCaseFile)
else
getLoadCaseFile = rectifyPath(getLoadCaseFile)
endif
@ -373,26 +379,26 @@ function rectifyPath(path)
l = len_trim(path)
rectifyPath = path
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)//' '
enddo
!--------------------------------------------------------------------------------------------------
! remove ../ and corresponding directory from rectifyPath
l = len_trim(rectifyPath)
i = index(rectifyPath(i:l),'..'//pathSep)
i = index(rectifyPath(i:l),'..'//'/')
j = 0
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)
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)
rectifyPath(j+1:k-1) = rectifyPath(j+2:k)
rectifyPath(k:k) = ' '
endif
i = j+index(rectifyPath(j+1:l),'..'//pathSep)
i = j+index(rectifyPath(j+1:l),'..'//'/')
enddo
if(len_trim(rectifyPath) == 0) rectifyPath = pathSep
if(len_trim(rectifyPath) == 0) 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))
if (a(i:i) /= b(i:i)) exit
if (a(i:i) == pathSep) posLastCommonSlash = i
if (a(i:i) == '/') posLastCommonSlash = i
enddo
do i = posLastCommonSlash+1,len_trim(a)
if (a(i:i) == pathSep) remainingSlashes = remainingSlashes + 1
if (a(i:i) == '/') remainingSlashes = remainingSlashes + 1
enddo
makeRelativePath = repeat('..'//pathSep,remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
makeRelativePath = repeat('..'//'/',remainingSlashes)//b(posLastCommonSlash+1:len_trim(b))
end function makeRelativePath

9
src/spectral_utilities.f90
View File

@ -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