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DAMASK_EICMD
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Merge branch 'development' of magit1.mpie.de:damask/DAMASK into development

This commit is contained in:
Philip Eisenlohr 2016-03-09 12:28:52 -05:00
parent b933359f17 ed1948689f
commit e9338200eb
8 changed files with 30 additions and 30 deletions
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3
DAMASK_env.sh
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@ -53,7 +53,8 @@ if [ ! -z "$PS1" ]; then
[[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER" [[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER"
[[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING" [[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING"
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
[[ "x$PETSC_DIR" != "x" ]] && echo "PETSc location $PETSC_DIR" [[ "x$PETSC_DIR" != "x" ]] && echo "PETSc location $PETSC_DIR" && \
[[ `readlink -f $PETSC_DIR` == $PETSC_DIR ]] || echo " ~~> "`readlink -f $PETSC_DIR`
[[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH" [[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH"
echo "MSC.Marc/Mentat $MSC_ROOT" echo "MSC.Marc/Mentat $MSC_ROOT"
echo echo

3
DAMASK_env.zsh
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@ -51,7 +51,8 @@ if [ ! -z "$PS1" ]; then
[[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER" [[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER"
[[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING" [[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING"
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS" echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
[[ "x$PETSC_DIR" != "x" ]] && echo "PETSc location $PETSC_DIR" [[ "x$PETSC_DIR" != "x" ]] && echo "PETSc location $PETSC_DIR" && \
[[ `readlink -f $PETSC_DIR` == $PETSC_DIR ]] || echo " ~~> "`readlink -f $PETSC_DIR`
[[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH" [[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH"
echo "MSC.Marc/Mentat $MSC_ROOT" echo "MSC.Marc/Mentat $MSC_ROOT"
echo echo

2
VERSION
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@ -1 +1 @@
revision3813-1054-gefde4d3 v2.0.0-3-g618e352

2
code/DAMASK_spectral.f90
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@ -329,7 +329,7 @@ program DAMASK_spectral
errorID = 838_pInt ! no rotation is allowed by stress BC errorID = 838_pInt ! no rotation is allowed by stress BC
write(6,'(2x,a)') 'stress / GPa:' write(6,'(2x,a)') 'stress / GPa:'
do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt do i = 1_pInt, 3_pInt; do j = 1_pInt, 3_pInt
if(loadCases(currentLoadCase)%deformation%maskLogical(i,j)) then if(loadCases(currentLoadCase)%P%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%P%values(i,j)*1e-9_pReal write(6,'(2x,f12.7)',advance='no') loadCases(currentLoadCase)%P%values(i,j)*1e-9_pReal
else else
write(6,'(2x,12a)',advance='no') ' * ' write(6,'(2x,12a)',advance='no') ' * '

3
code/IO.f90
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@ -1237,8 +1237,7 @@ character(len=300) pure function IO_extractValue(pair,key)
IO_extractValue = '' IO_extractValue = ''
myChunk = scan(pair,SEP) myChunk = scan(pair,SEP)
if (myChunk > 0 .and. pair(:myChunk-1) == key(:myChunk-1)) & if (myChunk > 0 .and. pair(:myChunk-1) == key) IO_extractValue = pair(myChunk+1:) ! extract value if key matches
IO_extractValue = pair(myChunk+1:) ! extract value if key matches
end function IO_extractValue end function IO_extractValue

7
code/plastic_isotropic.f90
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@ -167,7 +167,7 @@ subroutine plastic_isotropic_init(fileUnit)
allocate(plastic_isotropic_Noutput(maxNinstance), source=0_pInt) allocate(plastic_isotropic_Noutput(maxNinstance), source=0_pInt)
allocate(param(maxNinstance)) ! one container of parameters per instance allocate(param(maxNinstance)) ! one container of parameters per instance
rewind(fileUnit) rewind(fileUnit)
phase = 0_pInt phase = 0_pInt
do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase> do while (trim(line) /= IO_EOF .and. IO_lc(IO_getTag(line,'<','>')) /= material_partPhase) ! wind forward to <phase>
@ -184,14 +184,13 @@ subroutine plastic_isotropic_init(fileUnit)
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next section
phase = phase + 1_pInt ! advance section counter phase = phase + 1_pInt ! advance section counter
if (phase_plasticity(phase) == PLASTICITY_ISOTROPIC_ID) then if (phase_plasticity(phase) == PLASTICITY_ISOTROPIC_ID) then
instance = phase_plasticityInstance(phase) instance = phase_plasticityInstance(phase) ! count instances of my constitutive law
allocate(param(instance)%outputID(phase_Noutput(phase))) ! allocate space for IDs of every requested output
endif endif
cycle ! skip to next line cycle ! skip to next line
endif endif
if (phase > 0_pInt) then; if (phase_plasticity(phase) == PLASTICITY_ISOTROPIC_ID) then ! one of my phases. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran if (phase > 0_pInt) then; if (phase_plasticity(phase) == PLASTICITY_ISOTROPIC_ID) then ! one of my phases. Do not short-circuit here (.and. between if-statements), it's not safe in Fortran
instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase instance = phase_plasticityInstance(phase) ! which instance of my plasticity is present phase
allocate(param(instance)%outputID(phase_Noutput(phase))) ! allocate space for IDs of every requested output
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
extmsg = trim(tag)//' ('//PLASTICITY_ISOTROPIC_label//')' ! prepare error message identifier extmsg = trim(tag)//' ('//PLASTICITY_ISOTROPIC_label//')' ! prepare error message identifier

12
config/numerics.config
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@ -54,12 +54,12 @@ discrepancyPower_RGC 5.0
fixed_seed 0 # put any number larger than zero, integer, if you want to have a pseudo random distribution fixed_seed 0 # put any number larger than zero, integer, if you want to have a pseudo random distribution
## spectral parameters ## ## spectral parameters ##
err_div_tolAbs 1.0e-3 # relative tolerance for fulfillment of stress equilibrium err_div_tolAbs 1.0e-3 # absolute tolerance for fulfillment of stress equilibrium
err_div_tolRel 5.0e-4 # absolute tolerance for fulfillment of stress equilibrium err_div_tolRel 5.0e-4 # relative tolerance for fulfillment of stress equilibrium
err_curl_tolAbs 1.0e-12 # relative tolerance for fulfillment of strain compatibility err_curl_tolAbs 1.0e-12 # absolute tolerance for fulfillment of strain compatibility
err_curl_tolRel 5.0e-4 # absolute tolerance for fulfillment of strain compatibility err_curl_tolRel 5.0e-4 # relative tolerance for fulfillment of strain compatibility
err_stress_tolrel 0.01 # relative tolerance for fulfillment of stress BC err_stress_tolAbs 1.0e3 # absolute tolerance for fulfillment of stress BC
err_stress_tolabs 1.0e3 # absolute tolerance for fulfillment of stress BC err_stress_tolRel 0.01 # relative tolerance for fulfillment of stress BC
fftw_timelimit -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit fftw_timelimit -1.0 # timelimit of plan creation for FFTW, see manual on www.fftw.org, Default -1.0: disable timelimit
rotation_tol 1.0e-12 # tolerance of rotation specified in loadcase, Default 1.0e-12: first guess rotation_tol 1.0e-12 # tolerance of rotation specified in loadcase, Default 1.0e-12: first guess
fftw_plan_mode FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag fftw_plan_mode FFTW_PATIENT # reads the planing-rigor flag, see manual on www.fftw.org, Default FFTW_PATIENT: use patient planner flag

28
processing/pre/geom_fromVoronoiTessellation.py
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@ -276,29 +276,29 @@ for name in filenames:
grid = np.vstack(meshgrid2(x, y, z)).reshape(3,-1).T grid = np.vstack(meshgrid2(x, y, z)).reshape(3,-1).T
indices = laguerreTessellation(grid, coords, weights, grains, options.nonperiodic, options.cpus) indices = laguerreTessellation(grid, coords, weights, grains, options.nonperiodic, options.cpus)
# --- write header --------------------------------------------------------------------------------- # --- write header ------------------------------------------------------------------------
grainIDs = np.intersect1d(grainIDs,indices) usedGrainIDs = np.intersect1d(grainIDs,indices)
info['microstructures'] = len(grainIDs) info['microstructures'] = len(usedGrainIDs)
if info['homogenization'] == 0: info['homogenization'] = options.homogenization if info['homogenization'] == 0: info['homogenization'] = options.homogenization
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))), damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
'size x y z: %s'%(' x '.join(map(str,info['size']))), 'size x y z: %s'%(' x '.join(map(str,info['size']))),
'origin x y z: %s'%(' : '.join(map(str,info['origin']))), 'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
'homogenization: %i'%info['homogenization'], 'homogenization: %i'%info['homogenization'],
'microstructures: %i%s'%(info['microstructures'], 'microstructures: %i%s'%(info['microstructures'],
(' out of %i'%NgrainIDs if NgrainIDs != info['microstructures'] else '')), (' out of %i'%NgrainIDs if NgrainIDs != info['microstructures'] else '')),
]) ])
config_header = [] config_header = []
formatwidth = 1+int(math.log10(info['microstructures'])) formatwidth = 1+int(math.log10(NgrainIDs))
phase = options.phase * np.ones(info['microstructures'],'i') phase = options.phase * np.ones(NgrainIDs,'i')
if int(options.secondphase*info['microstructures']) > 0: if int(options.secondphase*info['microstructures']) > 0:
phase[0:int(options.secondphase*info['microstructures'])] += 1 phase[0:int(options.secondphase*info['microstructures'])] += 1 # alter fraction 'options.secondphase' of used grainIDs
randomSeed = int(os.urandom(4).encode('hex'), 16) if options.randomSeed is None \ randomSeed = options.randomSeed if options.randomSeed \
else options.randomSeed # random seed for second phase else int(os.urandom(4).encode('hex'), 16) # random seed for second phase
np.random.seed(randomSeed) np.random.seed(randomSeed)
np.random.shuffle(phase) np.random.shuffle(phase)
config_header += ['# random seed (phase shuffling): {}'.format(randomSeed)] config_header += ['# random seed (phase shuffling): {}'.format(randomSeed)]
@ -312,7 +312,7 @@ for name in filenames:
if hasEulers: if hasEulers:
config_header += ['<texture>'] config_header += ['<texture>']
for ID in grainIDs: for ID in grainIDs:
eulerID = np.nonzero(grains == ID)[0][0] # find first occurrence of this grain id eulerID = np.nonzero(grains == ID)[0][0] # find first occurrence of this grain id
config_header += ['[Grain%s]'%(str(ID).zfill(formatwidth)), config_header += ['[Grain%s]'%(str(ID).zfill(formatwidth)),
'(gauss)\tphi1 %g\tPhi %g\tphi2 %g\tscatter 0.0\tfraction 1.0'%tuple(eulers[eulerID]) '(gauss)\tphi1 %g\tPhi %g\tphi2 %g\tscatter 0.0\tfraction 1.0'%tuple(eulers[eulerID])
] ]