Merge branch 'development' into HMS
This commit is contained in:
Fengbo Han
commit
d599aec37f
|
|
@ -1 +1 @@
|
||||||
./env/DAMASK.csh
|
env/DAMASK.csh
|
||||||
|
|
@ -1 +1 @@
|
||||||
./env/DAMASK.sh
|
env/DAMASK.sh
|
||||||
|
|
@ -1 +1 @@
|
||||||
./env/DAMASK.zsh
|
env/DAMASK.zsh
|
||||||
|
|
@ -0,0 +1,99 @@
|
||||||
|
#!/usr/bin/env bash
|
||||||
|
|
||||||
|
OUTFILE="system_report.txt"
|
||||||
|
echo generating $OUTFILE
|
||||||
|
|
||||||
|
echo date +"%m-%d-%y" >$OUTFILE
|
||||||
|
|
||||||
|
# redirect STDOUT and STDERR to logfile
|
||||||
|
# https://stackoverflow.com/questions/11229385/redirect-all-output-in-a-bash-script-when-using-set-x^
|
||||||
|
exec > $OUTFILE 2>&1
|
||||||
|
|
||||||
|
# directory, file is not a symlink by definition
|
||||||
|
# https://stackoverflow.com/questions/59895/getting-the-source-directory-of-a-bash-script-from-within
|
||||||
|
DAMASK_ROOT="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
|
||||||
|
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo DAMASK settings
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo DAMASK_ROOT:
|
||||||
|
echo $DAMASK_ROOT
|
||||||
|
echo
|
||||||
|
echo Version:
|
||||||
|
cat VERSION
|
||||||
|
echo
|
||||||
|
echo Settings in CONFIG:
|
||||||
|
cat CONFIG
|
||||||
|
echo
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo System
|
||||||
|
echo ==============================================================================================
|
||||||
|
uname -a
|
||||||
|
echo
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo Python
|
||||||
|
echo ==============================================================================================
|
||||||
|
|
||||||
|
DEFAULT_PYTHON=python2.7
|
||||||
|
for executable in python python2 python3 python2.7; do
|
||||||
|
if [[ "$(which $executable)x" != "x" ]]; then
|
||||||
|
echo $executable version: $($executable --version 2>&1)
|
||||||
|
else
|
||||||
|
echo $executable does not exist
|
||||||
|
fi
|
||||||
|
done
|
||||||
|
echo Location of $DEFAULT_PYTHON: $(ls -la $(which $DEFAULT_PYTHON))
|
||||||
|
echo
|
||||||
|
for module in numpy scipy;do
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
echo $module
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
$DEFAULT_PYTHON -c "import $module; \
|
||||||
|
print('Version: {}'.format($module.__version__)); \
|
||||||
|
print('Location: {}'.format($module.__file__))"
|
||||||
|
done
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
echo vtk
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
$DEFAULT_PYTHON -c "import vtk; \
|
||||||
|
print('Version: {}'.format(vtk.vtkVersion.GetVTKVersion())); \
|
||||||
|
print('Location: {}'.format(vtk.__file__))"
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
echo h5py
|
||||||
|
echo ----------------------------------------------------------------------------------------------
|
||||||
|
$DEFAULT_PYTHON -c "import h5py; \
|
||||||
|
print('Version: {}'.format(h5py.version.version)); \
|
||||||
|
print('Location: {}'.format(h5py.__file__))"
|
||||||
|
echo
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo GCC
|
||||||
|
echo ==============================================================================================
|
||||||
|
for executable in gcc g++ gfortran ;do
|
||||||
|
if [[ "$(which $executable)x" != "x" ]]; then
|
||||||
|
echo $(which $executable) version: $($executable --version 2>&1)
|
||||||
|
else
|
||||||
|
echo $executable does not exist
|
||||||
|
fi
|
||||||
|
done
|
||||||
|
echo
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo Intel Compiler Suite
|
||||||
|
echo ==============================================================================================
|
||||||
|
for executable in icc icpc ifort ;do
|
||||||
|
if [[ "$(which $executable)x" != "x" ]]; then
|
||||||
|
echo $(which $executable) version: $($executable --version 2>&1)
|
||||||
|
else
|
||||||
|
echo $executable does not exist
|
||||||
|
fi
|
||||||
|
done
|
||||||
|
echo
|
||||||
|
echo ==============================================================================================
|
||||||
|
echo MPI Wrappers
|
||||||
|
echo ==============================================================================================
|
||||||
|
for executable in mpicc mpiCC mpicxx mpicxx mpifort mpif90 mpif77; do
|
||||||
|
if [[ "$(which $executable)x" != "x" ]]; then
|
||||||
|
echo $(which $executable) version: $($executable --show 2>&1)
|
||||||
|
else
|
||||||
|
echo $executable does not exist
|
||||||
|
fi
|
||||||
|
done
|
||||||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
||||||
Subproject commit 057371b82e3f5e880271b9631ace46c54280a753
|
Subproject commit 55a263fc30c40c16ef337be050f8901dd2747390
|
||||||
|
|
@ -26,15 +26,11 @@ if ( "x$DAMASK_NUM_THREADS" == "x" ) then
|
||||||
set DAMASK_NUM_THREADS=1
|
set DAMASK_NUM_THREADS=1
|
||||||
endif
|
endif
|
||||||
|
|
||||||
# according to http://software.intel.com/en-us/forums/topic/501500
|
# currently, there is no information that unlimited causes problems
|
||||||
# this seems to make sense for the stack size
|
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
||||||
if ( `which free` != "free: Command not found." ) then
|
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
||||||
set freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'`
|
limit datasize unlimited # maximum heap size (kB)
|
||||||
set heap=` expr $freeMem / 2`
|
limit stacksize unlimited # maximum stack size (kB)
|
||||||
set stack=`expr $freeMem / $DAMASK_NUM_THREADS / 2`
|
|
||||||
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
|
||||||
limit datasize $heap # maximum heap size (kB)
|
|
||||||
limit stacksize $stack # maximum stack size (kB)
|
|
||||||
endif
|
endif
|
||||||
if ( `limit | grep memoryuse` != "" ) then
|
if ( `limit | grep memoryuse` != "" ) then
|
||||||
limit memoryuse unlimited # maximum physical memory size
|
limit memoryuse unlimited # maximum physical memory size
|
||||||
|
|
|
||||||
|
|
@ -1,9 +1,16 @@
|
||||||
# sets up an environment for DAMASK on bash
|
# sets up an environment for DAMASK on bash
|
||||||
# usage: source DAMASK.sh
|
# usage: source DAMASK.sh
|
||||||
|
|
||||||
|
function canonicalPath {
|
||||||
|
python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $1
|
||||||
|
}
|
||||||
|
|
||||||
|
function blink {
|
||||||
|
echo -e "\033[2;5m$1\033[0m"
|
||||||
|
}
|
||||||
|
|
||||||
if [ "$OSTYPE" == "linux-gnu" ] || [ "$OSTYPE" == 'linux' ]; then
|
if [ "$OSTYPE" == "linux-gnu" ] || [ "$OSTYPE" == 'linux' ]; then
|
||||||
DAMASK_ROOT=$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$(dirname $BASH_SOURCE)")
|
DAMASK_ROOT=$(dirname $BASH_SOURCE)
|
||||||
else
|
else
|
||||||
[[ "${BASH_SOURCE::1}" == "/" ]] && BASE="" || BASE="$(pwd)/"
|
[[ "${BASH_SOURCE::1}" == "/" ]] && BASE="" || BASE="$(pwd)/"
|
||||||
STAT=$(stat "$(dirname $BASE$BASH_SOURCE)")
|
STAT=$(stat "$(dirname $BASE$BASH_SOURCE)")
|
||||||
|
|
@ -12,9 +19,11 @@ fi
|
||||||
|
|
||||||
# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.sh to $DAMASK_ROOT/env/DAMASK.sh)
|
# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.sh to $DAMASK_ROOT/env/DAMASK.sh)
|
||||||
if [ ${BASH_SOURCE##*/} == "DAMASK.sh" ]; then
|
if [ ${BASH_SOURCE##*/} == "DAMASK.sh" ]; then
|
||||||
DAMASK_ROOT=$DAMASK_ROOT'/..'
|
DAMASK_ROOT="$DAMASK_ROOT/.."
|
||||||
fi
|
fi
|
||||||
|
|
||||||
|
DAMASK_ROOT=$(canonicalPath $DAMASK_ROOT)
|
||||||
|
|
||||||
# shorthand command to change to DAMASK_ROOT directory
|
# shorthand command to change to DAMASK_ROOT directory
|
||||||
eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
|
eval "function DAMASK_root() { cd $DAMASK_ROOT; }"
|
||||||
|
|
||||||
|
|
@ -28,27 +37,21 @@ unset -f set
|
||||||
# add DAMASK_BIN if present
|
# add DAMASK_BIN if present
|
||||||
[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
|
[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
|
||||||
|
|
||||||
SOLVER=$(which DAMASK_spectral || true 2>/dev/null)
|
SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
|
||||||
[ "x$SOLVER" == "x" ] && SOLVER='Not found!'
|
[ "x$SOLVER" == "x" ] && SOLVER=$(blink 'Not found!')
|
||||||
|
|
||||||
PROCESSING=$(which postResults || true 2>/dev/null)
|
PROCESSING=$(type -p postResults || true 2>/dev/null)
|
||||||
[ "x$PROCESSING" == "x" ] && PROCESSING='Not found!'
|
[ "x$PROCESSING" == "x" ] && PROCESSING=$(blink 'Not found!')
|
||||||
|
|
||||||
[ "x$DAMASK_NUM_THREADS" == "x" ] && DAMASK_NUM_THREADS=1
|
[ "x$DAMASK_NUM_THREADS" == "x" ] && DAMASK_NUM_THREADS=1
|
||||||
|
|
||||||
# according to http://software.intel.com/en-us/forums/topic/501500
|
# currently, there is no information that unlimited causes problems
|
||||||
# this seems to make sense for the stack size
|
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
||||||
FREE=$(type -p free 2>/dev/null)
|
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
||||||
if [ "x$FREE" != "x" ]; then
|
ulimit -d unlimited 2>/dev/null # maximum heap size (kB)
|
||||||
freeMem=$(free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}')
|
ulimit -s unlimited 2>/dev/null # maximum stack size (kB)
|
||||||
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
|
||||||
ulimit -d unlimited 2>/dev/null \
|
ulimit -m unlimited 2>/dev/null # maximum physical memory size
|
||||||
|| ulimit -d $(expr $freeMem / 2) 2>/dev/null # maximum heap size (kB)
|
|
||||||
ulimit -s unlimited 2>/dev/null \
|
|
||||||
|| ulimit -s $(expr $freeMem / $DAMASK_NUM_THREADS / 2) 2>/dev/null # maximum stack size (kB)
|
|
||||||
fi
|
|
||||||
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
|
|
||||||
ulimit -m unlimited 2>/dev/null # maximum physical memory size
|
|
||||||
|
|
||||||
# disable output in case of scp
|
# disable output in case of scp
|
||||||
if [ ! -z "$PS1" ]; then
|
if [ ! -z "$PS1" ]; then
|
||||||
|
|
@ -61,14 +64,16 @@ if [ ! -z "$PS1" ]; then
|
||||||
echo "DAMASK $DAMASK_ROOT"
|
echo "DAMASK $DAMASK_ROOT"
|
||||||
echo "Spectral Solver $SOLVER"
|
echo "Spectral Solver $SOLVER"
|
||||||
echo "Post Processing $PROCESSING"
|
echo "Post Processing $PROCESSING"
|
||||||
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
|
|
||||||
if [ "x$PETSC_DIR" != "x" ]; then
|
if [ "x$PETSC_DIR" != "x" ]; then
|
||||||
echo "PETSc location $PETSC_DIR"
|
echo -n "PETSc location "
|
||||||
[[ $(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR") == $PETSC_DIR ]] \
|
[ -d $PETSC_DIR ] && echo $PETSC_DIR || blink $PETSC_DIR
|
||||||
|| echo " ~~> "$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR")
|
[[ $(canonicalPath "$PETSC_DIR") == $PETSC_DIR ]] \
|
||||||
|
|| echo " ~~> "$(canonicalPath "$PETSC_DIR")
|
||||||
fi
|
fi
|
||||||
echo "MSC.Marc/Mentat $MSC_ROOT"
|
echo -n "MSC.Marc/Mentat "
|
||||||
|
[ -d $MSC_ROOT ] && echo $MSC_ROOT || blink $MSC_ROOT
|
||||||
echo
|
echo
|
||||||
|
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
|
||||||
echo -n "heap size "
|
echo -n "heap size "
|
||||||
[[ "$(ulimit -d)" == "unlimited" ]] \
|
[[ "$(ulimit -d)" == "unlimited" ]] \
|
||||||
&& echo "unlimited" \
|
&& echo "unlimited" \
|
||||||
|
|
|
||||||
|
|
@ -1,6 +1,10 @@
|
||||||
# sets up an environment for DAMASK on zsh
|
# sets up an environment for DAMASK on zsh
|
||||||
# usage: source DAMASK.zsh
|
# usage: source DAMASK.zsh
|
||||||
|
|
||||||
|
function canonicalPath {
|
||||||
|
python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" $1
|
||||||
|
}
|
||||||
|
|
||||||
# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.zsh to $DAMASK_ROOT/env/DAMASK.zsh)
|
# transition compatibility (renamed $DAMASK_ROOT/DAMASK_env.zsh to $DAMASK_ROOT/env/DAMASK.zsh)
|
||||||
if [ ${0:t:r} = 'DAMASK' ]; then
|
if [ ${0:t:r} = 'DAMASK' ]; then
|
||||||
DAMASK_ROOT=${0:a:h}'/..'
|
DAMASK_ROOT=${0:a:h}'/..'
|
||||||
|
|
@ -19,23 +23,23 @@ source $DAMASK_ROOT/CONFIG
|
||||||
unset -f set
|
unset -f set
|
||||||
|
|
||||||
# add DAMASK_BIN if present
|
# add DAMASK_BIN if present
|
||||||
[ "x$DAMASK_BIN" != "x" ] && PATH=$DAMASK_BIN:$PATH
|
[ "x$DAMASK_BIN != x" ] && PATH=$DAMASK_BIN:$PATH
|
||||||
|
|
||||||
SOLVER=`which DAMASK_spectral || True 2>/dev/null`
|
SOLVER=$(type -p DAMASK_spectral || true 2>/dev/null)
|
||||||
PROCESSING=`which postResults || True 2>/dev/null`
|
[ "x$SOLVER == x" ] && SOLVER='Not found!'
|
||||||
[ "x$DAMASK_NUM_THREADS" = "x" ] && DAMASK_NUM_THREADS=1
|
|
||||||
|
|
||||||
# according to http://software.intel.com/en-us/forums/topic/501500
|
PROCESSING=$(type -p postResults || true 2>/dev/null)
|
||||||
# this seems to make sense for the stack size
|
[ "x$PROCESSING == x" ] && PROCESSING='Not found!'
|
||||||
if [ "`which free 2>/dev/null`" != "free not found" ]; then
|
|
||||||
freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'`
|
|
||||||
|
|
||||||
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
[ "x$DAMASK_NUM_THREADS == x" ] && DAMASK_NUM_THREADS=1
|
||||||
#ulimit -d `expr $freeMem / 2` 2>/dev/null # maximum heap size (kB)
|
|
||||||
ulimit -s `expr $freeMem / $DAMASK_NUM_THREADS / 2` 2>/dev/null # maximum stack size (kB)
|
# currently, there is no information that unlimited causes problems
|
||||||
fi
|
# still, http://software.intel.com/en-us/forums/topic/501500 suggest to fix it
|
||||||
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
|
# http://superuser.com/questions/220059/what-parameters-has-ulimit
|
||||||
ulimit -m unlimited 2>/dev/null # maximum physical memory size
|
ulimit -d unlimited 2>/dev/null # maximum heap size (kB)
|
||||||
|
ulimit -s unlimited 2>/dev/null # maximum stack size (kB)
|
||||||
|
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
|
||||||
|
ulimit -m unlimited 2>/dev/null # maximum physical memory size
|
||||||
|
|
||||||
# disable output in case of scp
|
# disable output in case of scp
|
||||||
if [ ! -z "$PS1" ]; then
|
if [ ! -z "$PS1" ]; then
|
||||||
|
|
@ -51,8 +55,8 @@ if [ ! -z "$PS1" ]; then
|
||||||
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
|
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
|
||||||
if [ "x$PETSC_DIR" != "x" ]; then
|
if [ "x$PETSC_DIR" != "x" ]; then
|
||||||
echo "PETSc location $PETSC_DIR"
|
echo "PETSc location $PETSC_DIR"
|
||||||
[[ $(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR") == $PETSC_DIR ]] \
|
[[ $(canonicalPath "$PETSC_DIR") == $PETSC_DIR ]] \
|
||||||
|| echo " ~~> "$(python -c "import os,sys; print(os.path.realpath(os.path.expanduser(sys.argv[1])))" "$PETSC_DIR")
|
|| echo " ~~> "$(canonicalPath "$PETSC_DIR")
|
||||||
fi
|
fi
|
||||||
[[ "x$PETSC_ARCH" == "x" ]] \
|
[[ "x$PETSC_ARCH" == "x" ]] \
|
||||||
|| echo "PETSc architecture $PETSC_ARCH"
|
|| echo "PETSc architecture $PETSC_ARCH"
|
||||||
|
|
@ -79,7 +83,7 @@ fi
|
||||||
export DAMASK_NUM_THREADS
|
export DAMASK_NUM_THREADS
|
||||||
export PYTHONPATH=$DAMASK_ROOT/lib:$PYTHONPATH
|
export PYTHONPATH=$DAMASK_ROOT/lib:$PYTHONPATH
|
||||||
|
|
||||||
for var in BASE STAT SOLVER PROCESSING FREE DAMASK_BIN MATCH; do
|
for var in BASE STAT SOLVER PROCESSING FREE DAMASK_BIN; do
|
||||||
unset "${var}"
|
unset "${var}"
|
||||||
done
|
done
|
||||||
for var in DAMASK MSC; do
|
for var in DAMASK MSC; do
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,25 @@
|
||||||
|
[Air]
|
||||||
|
|
||||||
|
## Isotropic Material model to simulate free surfaces ##
|
||||||
|
## For more information see paper Maiti+Eisenlohr2018, Scripta Materialia,
|
||||||
|
## "Fourier-based spectral method solution to finite strain crystal plasticity with free surfaces"
|
||||||
|
|
||||||
|
elasticity hooke
|
||||||
|
plasticity isotropic
|
||||||
|
|
||||||
|
/dilatation/
|
||||||
|
|
||||||
|
(output) flowstress
|
||||||
|
(output) strainrate
|
||||||
|
|
||||||
|
lattice_structure isotropic
|
||||||
|
c11 110.9e9
|
||||||
|
c12 0.0
|
||||||
|
taylorfactor 3
|
||||||
|
tau0 31e6
|
||||||
|
gdot0 0.001
|
||||||
|
n 20
|
||||||
|
h0 75e6
|
||||||
|
tausat 63e6
|
||||||
|
w0 2.25
|
||||||
|
atol_resistance 1
|
||||||
|
|
@ -1,177 +0,0 @@
|
||||||
#
|
|
||||||
# System-Wide Abaqus Environment File
|
|
||||||
# -------------------------------------
|
|
||||||
standard_parallel = ALL
|
|
||||||
mp_mode = MPI
|
|
||||||
mp_file_system = (DETECT,DETECT)
|
|
||||||
mp_num_parallel_ftps = (4, 4)
|
|
||||||
mp_environment_export = ('MPI_PROPAGATE_TSTP',
|
|
||||||
'ABA_CM_BUFFERING',
|
|
||||||
'ABA_CM_BUFFERING_LIMIT',
|
|
||||||
'ABA_ITERATIVE_SOLVER_VERBOSE',
|
|
||||||
'ABA_DMPSOLVER_BWDPARALLELOFF',
|
|
||||||
'ABA_ELP_SURFACE_SPLIT',
|
|
||||||
'ABA_ELP_SUSPEND',
|
|
||||||
'ABA_HOME',
|
|
||||||
'ABA_MEMORY_MODE',
|
|
||||||
'ABA_MPI_MESSAGE_TRACKING',
|
|
||||||
'ABA_MPI_VERBOSE_LEVEL',
|
|
||||||
'ABA_PATH',
|
|
||||||
'ABAQUS_CSE_RELTIMETOLERANCE',
|
|
||||||
'ABA_RESOURCE_MONITOR',
|
|
||||||
'ABA_RESOURCE_USEMALLINFO',
|
|
||||||
'ABAQUS_LANG',
|
|
||||||
'ABAQUS_CSE_CURRCONFIGMAPPING',
|
|
||||||
'ABAQUS_MPF_DIAGNOSTIC_LEVEL',
|
|
||||||
'ABAQUSLM_LICENSE_FILE',
|
|
||||||
'ABQ_CRTMALLOC',
|
|
||||||
'ABQ_DATACHECK',
|
|
||||||
'ABQ_RECOVER',
|
|
||||||
'ABQ_RESTART',
|
|
||||||
'ABQ_SPLITFILE',
|
|
||||||
'ABQ_XPL_WINDOWDUMP',
|
|
||||||
'ABQ_XPL_PARTITIONSIZE',
|
|
||||||
'ABQLMHANGLIMIT',
|
|
||||||
'ABQLMQUEUE',
|
|
||||||
'ABQLMUSER',
|
|
||||||
'CCI_RENDEZVOUS',
|
|
||||||
'DOMAIN',
|
|
||||||
'DOMAIN_CPUS',
|
|
||||||
'DOUBLE_PRECISION',
|
|
||||||
'FLEXLM_DIAGNOSTICS',
|
|
||||||
'FOR0006',
|
|
||||||
'FOR0064',
|
|
||||||
'FOR_IGNORE_EXCEPTIONS',
|
|
||||||
'FOR_DISABLE_DIAGNOSTIC_DISPLAY',
|
|
||||||
'LD_PRELOAD',
|
|
||||||
'MP_NUMBER_OF_THREADS',
|
|
||||||
'MPC_GANG',
|
|
||||||
'MPI_FLAGS',
|
|
||||||
'MPI_FLUSH_FCACHE',
|
|
||||||
'MPI_RDMA_NENVELOPE',
|
|
||||||
'MPI_SOCKBUFSIZE',
|
|
||||||
'MPI_USE_MALLOPT_MMAP_MAX',
|
|
||||||
'MPI_USE_MALLOPT_MMAP_THRESHOLD',
|
|
||||||
'MPI_USE_MALLOPT_SBRK_PROTECTION',
|
|
||||||
'MPI_WORKDIR',
|
|
||||||
'MPCCI_DEBUG',
|
|
||||||
'MPCCI_CODEID',
|
|
||||||
'MPCCI_JOBID',
|
|
||||||
'MPCCI_NETDEVICE',
|
|
||||||
'MPCCI_TINFO',
|
|
||||||
'MPCCI_SERVER',
|
|
||||||
'ABAQUS_CCI_DEBUG',
|
|
||||||
'NCPUS',
|
|
||||||
'OMP_DYNAMIC',
|
|
||||||
'OMP_NUM_THREADS',
|
|
||||||
'OUTDIR',
|
|
||||||
'PAIDUP',
|
|
||||||
'PARALLEL_METHOD',
|
|
||||||
'RAIDEV_NDREG_LAZYMEM',
|
|
||||||
'ABA_SYMBOLIC_GENERALCOLLAPSE',
|
|
||||||
'ABA_SYMBOLIC_GENERAL_MAXCLIQUERANK',
|
|
||||||
'ABA_ADM_MINIMUMINCREASE',
|
|
||||||
'ABA_ADM_MINIMUMDECREASE',
|
|
||||||
'IPATH_NO_CPUAFFINITY',
|
|
||||||
'MALLOC_MMAP_THRESHOLD_',
|
|
||||||
'ABA_EXT_SIMOUTPUT',
|
|
||||||
'SMA_WS',
|
|
||||||
'SMA_PARENT',
|
|
||||||
'SMA_PLATFORM',
|
|
||||||
'ABA_PRE_DECOMPOSITION',
|
|
||||||
'ACML_FAST_MALLOC',
|
|
||||||
'ACML_FAST_MALLOC_CHUNK_SIZE',
|
|
||||||
'ACML_FAST_MALLOC_MAX_CHUNKS',
|
|
||||||
'ACML_FAST_MALLOC_DEBUG')
|
|
||||||
|
|
||||||
import driverUtils, os
|
|
||||||
#-*- mode: python -*-
|
|
||||||
|
|
||||||
# #
|
|
||||||
# Compile and Link command settings for the Windows 64 Platform #
|
|
||||||
# ( AMD Opteron / Intel EM64T ) #
|
|
||||||
# #
|
|
||||||
|
|
||||||
|
|
||||||
compile_fortran=['ifort',
|
|
||||||
'/c','/DABQ_WIN86_64', '/u',
|
|
||||||
'/iface:cref', '/recursive', '/Qauto-scalar',
|
|
||||||
'/QxSSE3', '/QaxAVX',
|
|
||||||
'/heap-arrays:1',
|
|
||||||
# '/Od', '/Ob0' # <-- Optimization
|
|
||||||
# '/Zi', # <-- Debugging
|
|
||||||
'/include:%I', '/free', '/O1', '/fpp', '/openmp', '/Qmkl']
|
|
||||||
|
|
||||||
link_sl=['LINK',
|
|
||||||
'/nologo', '/NOENTRY', '/INCREMENTAL:NO', '/subsystem:console', '/machine:AMD64',
|
|
||||||
'/NODEFAULTLIB:LIBC.LIB', '/NODEFAULTLIB:LIBCMT.LIB',
|
|
||||||
'/DEFAULTLIB:OLDNAMES.LIB', '/DEFAULTLIB:LIBIFCOREMD.LIB', '/DEFAULTLIB:LIBIFPORTMD', '/DEFAULTLIB:LIBMMD.LIB',
|
|
||||||
'/DEFAULTLIB:kernel32.lib', '/DEFAULTLIB:user32.lib', '/DEFAULTLIB:advapi32.lib',
|
|
||||||
'/FIXED:NO', '/dll',
|
|
||||||
'/def:%E', '/out:%U', '%F', '%A', '%L', '%B',
|
|
||||||
'oldnames.lib', 'user32.lib', 'ws2_32.lib', 'netapi32.lib', 'advapi32.lib']
|
|
||||||
|
|
||||||
link_exe=['LINK',
|
|
||||||
'/nologo', '/INCREMENTAL:NO', '/subsystem:console', '/machine:AMD64', '/STACK:20000000',
|
|
||||||
'/NODEFAULTLIB:LIBC.LIB', '/NODEFAULTLIB:LIBCMT.LIB', '/DEFAULTLIB:OLDNAMES.LIB', '/DEFAULTLIB:LIBIFCOREMD.LIB',
|
|
||||||
'/DEFAULTLIB:LIBIFPORTMD', '/DEFAULTLIB:LIBMMD.LIB', '/DEFAULTLIB:kernel32.lib',
|
|
||||||
'/DEFAULTLIB:user32.lib', '/DEFAULTLIB:advapi32.lib',
|
|
||||||
'/FIXED:NO', '/LARGEADDRESSAWARE',
|
|
||||||
'/out:%J', '%F', '%M', '%L', '%B', '%O',
|
|
||||||
'oldnames.lib', 'user32.lib', 'ws2_32.lib', 'netapi32.lib', 'advapi32.lib']
|
|
||||||
|
|
||||||
# Link command to be used for MAKE w/o fortran compiler.
|
|
||||||
# remove the pound signs in order to remove the comments and have the file take effect.
|
|
||||||
#
|
|
||||||
#link_exe=['LINK', '/nologo', 'INCREMENTAL:NO', '/subsystem:console', '/machine:AMD64', '/NODEFAULTLIB:LIBC.LIB', '/NODEFAULTLIB:LIBCMT.LIB',
|
|
||||||
# '/DEFAULTLIB:OLDNAMES.LIB', '/DEFAULTLIB:MSVCRT.LIB', '/DEFAULTLIB:kernel32.lib', 'DEFAULTLIB:user32.lib', '/DEFAULTLIB:advapi32.lib',
|
|
||||||
# '/FIXED:NO', '/LARGEADDRESSAWARE', '/DEBUG', '/out:%J', '%F', '%M', '%L', '%B', '%O', 'oldnames.lib', 'user32.lib', 'ws2_32.lib',
|
|
||||||
# 'netapi32.lib', 'advapi32.lib]
|
|
||||||
|
|
||||||
# MPI Configuration
|
|
||||||
mp_mode = THREADS
|
|
||||||
|
|
||||||
mp_mpi_implementation = NATIVE
|
|
||||||
mp_rsh_command = 'dummy %H -l %U -n %C'
|
|
||||||
mp_mpirun_path = {}
|
|
||||||
mpirun = ''
|
|
||||||
progDir = os.environ.get('ProgramFiles','C:\\Program Files')
|
|
||||||
|
|
||||||
for mpiDir in ('Microsoft HPC Pack', 'Microsoft HPC Pack 2008 R2', 'Microsoft HPC Pack 2008', 'Microsoft HPC Pack 2008 SDK'):
|
|
||||||
mpirun = progDir + os.sep + mpiDir + os.sep + 'bin' + os.sep + 'mpiexec.exe'
|
|
||||||
if os.path.exists(mpirun):
|
|
||||||
mp_mpirun_path[NATIVE] = mpirun
|
|
||||||
mp_mpirun_path[MSSDK] = os.path.join(progDir, mpiDir)
|
|
||||||
break
|
|
||||||
|
|
||||||
if os.environ.has_key('CCP_HOME'):
|
|
||||||
from queueCCS import QueueCCS
|
|
||||||
queues['default'] = QueueCCS(queueName='share')
|
|
||||||
queues['share'] = QueueCCS(queueName='share')
|
|
||||||
queues['local'] = QueueCCS(queueName='local')
|
|
||||||
queues['genxmlshare'] = QueueCCS(queueName='genxmlshare')
|
|
||||||
queues['genxmllocal'] = QueueCCS(queueName='genxmllocal')
|
|
||||||
del QueueCCS
|
|
||||||
mpirun = os.path.join(os.environ['CCP_HOME'], 'bin', 'mpiexec.exe')
|
|
||||||
if os.path.exists(mpirun):
|
|
||||||
mp_mpirun_path[NATIVE] = mpirun
|
|
||||||
run_mode=BATCH
|
|
||||||
|
|
||||||
if mp_mpirun_path:
|
|
||||||
mp_mode=MPI
|
|
||||||
|
|
||||||
del progDir, mpiDir, mpirun
|
|
||||||
|
|
||||||
graphicsEnv = driverUtils.locateFile(os.environ['ABA_PATH'],'site','graphicsConfig','env')
|
|
||||||
if graphicsEnv:
|
|
||||||
execfile(graphicsEnv)
|
|
||||||
else:
|
|
||||||
raise 'Cannot find the graphics configuration environment file (graphicsConfig.env)'
|
|
||||||
|
|
||||||
del driverUtils, os, graphicsEnv
|
|
||||||
license_server_type=FLEXNET
|
|
||||||
|
|
||||||
abaquslm_license_file=""
|
|
||||||
doc_root="
|
|
||||||
doc_root_type="html"
|
|
||||||
academic=RESEARCH
|
|
||||||
|
|
@ -0,0 +1,52 @@
|
||||||
|
#!/bin/ksh
|
||||||
|
# 1st arg: $DIR
|
||||||
|
# 2nd arg: $DIRJOB
|
||||||
|
# 3rd arg: $user
|
||||||
|
# 4th arg: $program
|
||||||
|
DIR=$1
|
||||||
|
user=$3
|
||||||
|
program=$4
|
||||||
|
usernoext=$user
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||||
|
|
||||||
|
# add BLAS options for linking
|
||||||
|
BLAS="%BLAS%"
|
||||||
|
|
||||||
|
. $DIR/tools/include
|
||||||
|
DIRJOB=$2
|
||||||
|
cd $DIRJOB
|
||||||
|
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||||
|
echo "program: $program"
|
||||||
|
$DFORTRAN $user || \
|
||||||
|
{
|
||||||
|
echo "$0: compile failed for $user"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $program 2>/dev/null
|
||||||
|
userobj=$usernoext.o
|
||||||
|
|
||||||
|
|
||||||
|
$LOAD ${program} $DIR/lib/main.o\
|
||||||
|
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||||
|
${userobj-} \
|
||||||
|
$DIR/lib/srclib.a \
|
||||||
|
$MNFLIBS \
|
||||||
|
$MDUSER \
|
||||||
|
../lib/mdsrc.a \
|
||||||
|
../lib/mcvfit.a \
|
||||||
|
$STUBS \
|
||||||
|
${SOLVERLIBS} \
|
||||||
|
$TKLIBS \
|
||||||
|
$MRCLIBS \
|
||||||
|
$METISLIBS \
|
||||||
|
$BLAS \
|
||||||
|
$SYSLIBS || \
|
||||||
|
{
|
||||||
|
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $userobj
|
||||||
|
/bin/rm $DIRJOB/*.mod
|
||||||
|
|
@ -0,0 +1,52 @@
|
||||||
|
#!/bin/ksh
|
||||||
|
# 1st arg: $DIR
|
||||||
|
# 2nd arg: $DIRJOB
|
||||||
|
# 3rd arg: $user
|
||||||
|
# 4th arg: $program
|
||||||
|
DIR=$1
|
||||||
|
user=$3
|
||||||
|
program=$4
|
||||||
|
usernoext=$user
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||||
|
|
||||||
|
# add BLAS options for linking
|
||||||
|
BLAS="%BLAS%"
|
||||||
|
|
||||||
|
. $DIR/tools/include
|
||||||
|
DIRJOB=$2
|
||||||
|
cd $DIRJOB
|
||||||
|
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||||
|
echo "program: $program"
|
||||||
|
$DFORTHIGH $user || \
|
||||||
|
{
|
||||||
|
echo "$0: compile failed for $user"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $program 2>/dev/null
|
||||||
|
userobj=$usernoext.o
|
||||||
|
|
||||||
|
|
||||||
|
$LOAD ${program} $DIR/lib/main.o\
|
||||||
|
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||||
|
${userobj-} \
|
||||||
|
$DIR/lib/srclib.a \
|
||||||
|
$MNFLIBS \
|
||||||
|
$MDUSER \
|
||||||
|
../lib/mdsrc.a \
|
||||||
|
../lib/mcvfit.a \
|
||||||
|
$STUBS \
|
||||||
|
${SOLVERLIBS} \
|
||||||
|
$TKLIBS \
|
||||||
|
$MRCLIBS \
|
||||||
|
$METISLIBS \
|
||||||
|
$BLAS \
|
||||||
|
$SYSLIBS || \
|
||||||
|
{
|
||||||
|
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $userobj
|
||||||
|
/bin/rm $DIRJOB/*.mod
|
||||||
|
|
@ -0,0 +1,52 @@
|
||||||
|
#!/bin/ksh
|
||||||
|
# 1st arg: $DIR
|
||||||
|
# 2nd arg: $DIRJOB
|
||||||
|
# 3rd arg: $user
|
||||||
|
# 4th arg: $program
|
||||||
|
DIR=$1
|
||||||
|
user=$3
|
||||||
|
program=$4
|
||||||
|
usernoext=$user
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||||
|
|
||||||
|
# add BLAS options for linking
|
||||||
|
BLAS="%BLAS%"
|
||||||
|
|
||||||
|
. $DIR/tools/include
|
||||||
|
DIRJOB=$2
|
||||||
|
cd $DIRJOB
|
||||||
|
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||||
|
echo "program: $program"
|
||||||
|
$DFORTHIGHMP $user || \
|
||||||
|
{
|
||||||
|
echo "$0: compile failed for $user"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $program 2>/dev/null
|
||||||
|
userobj=$usernoext.o
|
||||||
|
|
||||||
|
|
||||||
|
$LOAD ${program} $DIR/lib/main.o\
|
||||||
|
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||||
|
${userobj-} \
|
||||||
|
$DIR/lib/srclib.a \
|
||||||
|
$MNFLIBS \
|
||||||
|
$MDUSER \
|
||||||
|
../lib/mdsrc.a \
|
||||||
|
../lib/mcvfit.a \
|
||||||
|
$STUBS \
|
||||||
|
${SOLVERLIBS} \
|
||||||
|
$TKLIBS \
|
||||||
|
$MRCLIBS \
|
||||||
|
$METISLIBS \
|
||||||
|
$BLAS \
|
||||||
|
$SYSLIBS || \
|
||||||
|
{
|
||||||
|
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $userobj
|
||||||
|
/bin/rm $DIRJOB/*.mod
|
||||||
|
|
@ -0,0 +1,52 @@
|
||||||
|
#!/bin/ksh
|
||||||
|
# 1st arg: $DIR
|
||||||
|
# 2nd arg: $DIRJOB
|
||||||
|
# 3rd arg: $user
|
||||||
|
# 4th arg: $program
|
||||||
|
DIR=$1
|
||||||
|
user=$3
|
||||||
|
program=$4
|
||||||
|
usernoext=$user
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||||
|
|
||||||
|
# add BLAS options for linking
|
||||||
|
BLAS="%BLAS%"
|
||||||
|
|
||||||
|
. $DIR/tools/include
|
||||||
|
DIRJOB=$2
|
||||||
|
cd $DIRJOB
|
||||||
|
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||||
|
echo "program: $program"
|
||||||
|
$DFORTLOW $user || \
|
||||||
|
{
|
||||||
|
echo "$0: compile failed for $user"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $program 2>/dev/null
|
||||||
|
userobj=$usernoext.o
|
||||||
|
|
||||||
|
|
||||||
|
$LOAD ${program} $DIR/lib/main.o\
|
||||||
|
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||||
|
${userobj-} \
|
||||||
|
$DIR/lib/srclib.a \
|
||||||
|
$MNFLIBS \
|
||||||
|
$MDUSER \
|
||||||
|
../lib/mdsrc.a \
|
||||||
|
../lib/mcvfit.a \
|
||||||
|
$STUBS \
|
||||||
|
${SOLVERLIBS} \
|
||||||
|
$TKLIBS \
|
||||||
|
$MRCLIBS \
|
||||||
|
$METISLIBS \
|
||||||
|
$BLAS \
|
||||||
|
$SYSLIBS || \
|
||||||
|
{
|
||||||
|
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $userobj
|
||||||
|
/bin/rm $DIRJOB/*.mod
|
||||||
|
|
@ -0,0 +1,52 @@
|
||||||
|
#!/bin/ksh
|
||||||
|
# 1st arg: $DIR
|
||||||
|
# 2nd arg: $DIRJOB
|
||||||
|
# 3rd arg: $user
|
||||||
|
# 4th arg: $program
|
||||||
|
DIR=$1
|
||||||
|
user=$3
|
||||||
|
program=$4
|
||||||
|
usernoext=$user
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||||
|
|
||||||
|
# add BLAS options for linking
|
||||||
|
BLAS="%BLAS%"
|
||||||
|
|
||||||
|
. $DIR/tools/include
|
||||||
|
DIRJOB=$2
|
||||||
|
cd $DIRJOB
|
||||||
|
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||||
|
echo "program: $program"
|
||||||
|
$DFORTRANLOWMP $user || \
|
||||||
|
{
|
||||||
|
echo "$0: compile failed for $user"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $program 2>/dev/null
|
||||||
|
userobj=$usernoext.o
|
||||||
|
|
||||||
|
|
||||||
|
$LOAD ${program} $DIR/lib/main.o\
|
||||||
|
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||||
|
${userobj-} \
|
||||||
|
$DIR/lib/srclib.a \
|
||||||
|
$MNFLIBS \
|
||||||
|
$MDUSER \
|
||||||
|
../lib/mdsrc.a \
|
||||||
|
../lib/mcvfit.a \
|
||||||
|
$STUBS \
|
||||||
|
${SOLVERLIBS} \
|
||||||
|
$TKLIBS \
|
||||||
|
$MRCLIBS \
|
||||||
|
$METISLIBS \
|
||||||
|
$BLAS \
|
||||||
|
$SYSLIBS || \
|
||||||
|
{
|
||||||
|
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $userobj
|
||||||
|
/bin/rm $DIRJOB/*.mod
|
||||||
|
|
@ -0,0 +1,52 @@
|
||||||
|
#!/bin/ksh
|
||||||
|
# 1st arg: $DIR
|
||||||
|
# 2nd arg: $DIRJOB
|
||||||
|
# 3rd arg: $user
|
||||||
|
# 4th arg: $program
|
||||||
|
DIR=$1
|
||||||
|
user=$3
|
||||||
|
program=$4
|
||||||
|
usernoext=$user
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .F`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .for`
|
||||||
|
usernoext=`dirname $usernoext`/`$BASENAME $usernoext .f90`
|
||||||
|
|
||||||
|
# add BLAS options for linking
|
||||||
|
BLAS="%BLAS%"
|
||||||
|
|
||||||
|
. $DIR/tools/include
|
||||||
|
DIRJOB=$2
|
||||||
|
cd $DIRJOB
|
||||||
|
echo "Compiling and linking user subroutine $user on host `hostname`"
|
||||||
|
echo "program: $program"
|
||||||
|
$DFORTRANMP $user || \
|
||||||
|
{
|
||||||
|
echo "$0: compile failed for $user"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $program 2>/dev/null
|
||||||
|
userobj=$usernoext.o
|
||||||
|
|
||||||
|
|
||||||
|
$LOAD ${program} $DIR/lib/main.o\
|
||||||
|
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||||
|
${userobj-} \
|
||||||
|
$DIR/lib/srclib.a \
|
||||||
|
$MNFLIBS \
|
||||||
|
$MDUSER \
|
||||||
|
../lib/mdsrc.a \
|
||||||
|
../lib/mcvfit.a \
|
||||||
|
$STUBS \
|
||||||
|
${SOLVERLIBS} \
|
||||||
|
$TKLIBS \
|
||||||
|
$MRCLIBS \
|
||||||
|
$METISLIBS \
|
||||||
|
$BLAS \
|
||||||
|
$SYSLIBS || \
|
||||||
|
{
|
||||||
|
echo "$0: link failed for $usernoext.o on host `hostname`"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $userobj
|
||||||
|
/bin/rm $DIRJOB/*.mod
|
||||||
|
|
@ -0,0 +1,41 @@
|
||||||
|
#!/bin/ksh
|
||||||
|
# 1st arg: $DIR
|
||||||
|
# 2nd arg: $DIRJOB
|
||||||
|
# 3rd arg: $user
|
||||||
|
# 4th arg: $program
|
||||||
|
DIR=$1
|
||||||
|
user=$3
|
||||||
|
program=$4
|
||||||
|
. $DIR/tools/include
|
||||||
|
DIRJOB=$2
|
||||||
|
cd $DIRJOB
|
||||||
|
echo "Compiling and linking user subroutine $user.f on host `hostname`"
|
||||||
|
echo "program: $program"
|
||||||
|
$FORTRAN $user.f || \
|
||||||
|
{
|
||||||
|
echo "$0: compile failed for $user.f"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $program 2>/dev/null
|
||||||
|
userobj=$user.o
|
||||||
|
|
||||||
|
|
||||||
|
$LOAD ${program} $DIR/lib/main.o\
|
||||||
|
$DIR/lib/blkdta.o $DIR/lib/comm?.o \
|
||||||
|
${userobj-} \
|
||||||
|
$DIR/lib/srclib.a \
|
||||||
|
$MNFLIBS \
|
||||||
|
$MDUSER \
|
||||||
|
../lib/mdsrc.a \
|
||||||
|
../lib/mcvfit.a \
|
||||||
|
$STUBS \
|
||||||
|
${SOLVERLIBS} \
|
||||||
|
$TKLIBS \
|
||||||
|
$MRCLIBS \
|
||||||
|
$METISLIBS \
|
||||||
|
$SYSLIBS || \
|
||||||
|
{
|
||||||
|
echo "$0: link failed for $user.o on host `hostname`"
|
||||||
|
exit 1
|
||||||
|
}
|
||||||
|
/bin/rm $userobj
|
||||||
|
|
@ -0,0 +1,783 @@
|
||||||
|
#
|
||||||
|
# General definitions for the Marc 2017 version
|
||||||
|
#
|
||||||
|
# EM64T
|
||||||
|
#
|
||||||
|
# Linux RedHat 6.7 / RedHat 7.1 / SuSE 11 SP3
|
||||||
|
#
|
||||||
|
# 64 bit MPI version
|
||||||
|
#
|
||||||
|
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
|
||||||
|
# running on Intel(R) 64, Version 16.0.2.181 Build 20160204
|
||||||
|
#
|
||||||
|
# Intel(R) C Intel(R) 64 Compiler XE for applications
|
||||||
|
# running on Intel(R) 64, Version 16.0.2.181 Build 20160204
|
||||||
|
#
|
||||||
|
# To check the O/S level, type:
|
||||||
|
# uname -a
|
||||||
|
#
|
||||||
|
# Distributed parallel MPI libraries:
|
||||||
|
# 1) HP MPI 2.3
|
||||||
|
# To check the mpi version, type:
|
||||||
|
# mpirun -version
|
||||||
|
# 2) Intel MPI 5.1.3
|
||||||
|
# To check the mpi version, type:
|
||||||
|
# mpiexec.hydra -version
|
||||||
|
#
|
||||||
|
# To check the Compiler level, type using the compiler
|
||||||
|
# installation path:
|
||||||
|
# ifort -V
|
||||||
|
# icc -V
|
||||||
|
#
|
||||||
|
# REMARKS : This file contains the definitions of variables used during
|
||||||
|
# compilation loading and use of the MARC programmes . The
|
||||||
|
# current machine type is identified by means of the variable
|
||||||
|
# MACHINE , defined below.
|
||||||
|
#
|
||||||
|
#
|
||||||
|
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
|
||||||
|
# DIRJOB : directory in which spawned jobs should look for Marc input
|
||||||
|
# MPI_ARCH: system architecture
|
||||||
|
# MPI_EPATH: path where executable resides
|
||||||
|
#
|
||||||
|
REVISION="VERSION, BUILD"
|
||||||
|
HOSTNAME=`hostname`
|
||||||
|
|
||||||
|
# find available memory in Mbyte on the machine
|
||||||
|
# can be set explicitly
|
||||||
|
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
|
||||||
|
|
||||||
|
# set _OEM_NASTRAN to 1 for MD Nastran build
|
||||||
|
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
|
||||||
|
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
|
||||||
|
|
||||||
|
# uncomment the following line for an autoforge build
|
||||||
|
#AUTOFORGE=1
|
||||||
|
AUTOFORGE=0
|
||||||
|
export AUTOFORGE
|
||||||
|
|
||||||
|
# integer size
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "" ; then
|
||||||
|
INTEGER_PATH=
|
||||||
|
else
|
||||||
|
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
||||||
|
fi
|
||||||
|
|
||||||
|
FCOMP=ifort
|
||||||
|
INTELPATH="/opt/intel/compilers_and_libraries_2016/linux"
|
||||||
|
|
||||||
|
# find the root directory of the compiler installation:
|
||||||
|
# - if ifort is found in $PATH, then the root directory is derived
|
||||||
|
# from the path to ifort
|
||||||
|
# - if ifort is not found in $PATH, the root directory is assumed
|
||||||
|
# to be $INTELPATH and the directory in which ifort is found is
|
||||||
|
# added to $PATH
|
||||||
|
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
|
||||||
|
if test -n "$FCOMPPATH"; then
|
||||||
|
# derive the root directory from $FCOMPPATH
|
||||||
|
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
|
||||||
|
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||||
|
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
|
||||||
|
fi
|
||||||
|
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||||
|
FCOMPROOT=
|
||||||
|
fi
|
||||||
|
elif test -d "$INTELPATH"; then
|
||||||
|
# check for compiler in $INTELPATH
|
||||||
|
if test -d "$INTELPATH/bin/intel64" -a \
|
||||||
|
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
|
||||||
|
FCOMPROOT="$INTELPATH"
|
||||||
|
PATH="$INTELPATH/bin/intel64:$PATH"
|
||||||
|
elif test -d "$INTELPATH/bin" -a \
|
||||||
|
-x "$INTELPATH/bin/$FCOMP"; then
|
||||||
|
FCOMPROOT="$INTELPATH"
|
||||||
|
PATH="$INTELPATH/bin:$PATH"
|
||||||
|
else
|
||||||
|
FCOMPROOT=
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
FCOMPROOT=
|
||||||
|
fi
|
||||||
|
|
||||||
|
# settings for MKL
|
||||||
|
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
|
||||||
|
|
||||||
|
#
|
||||||
|
# settings for Metis
|
||||||
|
#
|
||||||
|
METIS="-I$METIS_SOURCE/include"
|
||||||
|
METISLIBS="$MARC_LIB/metis.a "
|
||||||
|
|
||||||
|
#
|
||||||
|
# settings for MPI
|
||||||
|
#
|
||||||
|
# RCP and RSH are used for parallel network runs
|
||||||
|
# replace with similar commands like rsh if needed
|
||||||
|
RCP=/usr/bin/scp
|
||||||
|
RSH=/usr/bin/ssh
|
||||||
|
#
|
||||||
|
|
||||||
|
|
||||||
|
MPI_DEFAULT=intelmpi
|
||||||
|
MPI_OTHER=hpmpi
|
||||||
|
|
||||||
|
MPITYPE=$MPI_DEFAULT
|
||||||
|
|
||||||
|
if test $AUTOFORGE
|
||||||
|
then
|
||||||
|
if test $AUTOFORGE = 1
|
||||||
|
then
|
||||||
|
MPITYPE=none
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
|
||||||
|
if test $MARC_MPITYPE
|
||||||
|
then
|
||||||
|
MPITYPE=$MARC_MPITYPE
|
||||||
|
fi
|
||||||
|
|
||||||
|
# always set MPITYPE to none for MD Nastran
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
MPITYPE=none
|
||||||
|
fi
|
||||||
|
|
||||||
|
# Edit following lines to build with GPGPU version of BCS Solver for
|
||||||
|
# NVIDIA platforms
|
||||||
|
#BCSGPUSOLVER=NONE
|
||||||
|
BCSGPUSOLVER=BCSGPU
|
||||||
|
|
||||||
|
# Edit following lines to set the openssl library
|
||||||
|
if test "$OPENSSL" != "NONE"
|
||||||
|
then
|
||||||
|
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
|
||||||
|
fi
|
||||||
|
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
|
||||||
|
|
||||||
|
|
||||||
|
SOLVERFLAGS=
|
||||||
|
if test "$BCSGPUSOLVER" = BCSGPU
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
|
||||||
|
BCS_DIR=bcsgpusolver
|
||||||
|
export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
|
||||||
|
export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
|
||||||
|
else
|
||||||
|
BCS_DIR=bcssolver
|
||||||
|
fi
|
||||||
|
#
|
||||||
|
# settings for MPI
|
||||||
|
#
|
||||||
|
DDM=
|
||||||
|
if test $MPITYPE != none
|
||||||
|
then
|
||||||
|
if test $MPITYPE = hpmpi
|
||||||
|
then
|
||||||
|
FCOMPMPI=mpif90
|
||||||
|
export MPI_ROOT=$MARC_HPMPI
|
||||||
|
export MPI_REMSH=$RSH
|
||||||
|
export MPI_F77=$FCOMP
|
||||||
|
ARCHITECTURE=linux_amd64
|
||||||
|
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
|
||||||
|
MPI_CLEAN=
|
||||||
|
export MPI_EPATH=$MARC_BIN
|
||||||
|
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
|
||||||
|
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
|
||||||
|
# Below line is moved in run_marc file
|
||||||
|
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
|
||||||
|
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
|
||||||
|
if test -n "$MSC_LICENSE_FILE"
|
||||||
|
then
|
||||||
|
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
|
||||||
|
fi
|
||||||
|
if test -n "$LM_LICENSE_FILE"
|
||||||
|
then
|
||||||
|
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
|
||||||
|
fi
|
||||||
|
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
|
||||||
|
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
|
||||||
|
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
|
||||||
|
RUN_JOB0=
|
||||||
|
fi
|
||||||
|
if test $MPITYPE = intelmpi
|
||||||
|
then
|
||||||
|
INTELMPI_VERSION=HYDRA
|
||||||
|
FCOMPMPI=mpiifort
|
||||||
|
MPI_ROOT=$MARC_INTELMPI
|
||||||
|
DDM="-I${MPI_ROOT}/include64 -DDDM"
|
||||||
|
PATH=$MPI_ROOT/bin64:$PATH
|
||||||
|
export PATH
|
||||||
|
LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
|
||||||
|
export LD_LIBRARY_PATH
|
||||||
|
if test $INTELMPI_VERSION = HYDRA
|
||||||
|
then
|
||||||
|
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
|
||||||
|
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
|
||||||
|
else
|
||||||
|
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
|
||||||
|
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
|
||||||
|
fi
|
||||||
|
RUN_JOB0=
|
||||||
|
MPI_CLEAN=
|
||||||
|
MPI_EPATH=$MARC_BIN
|
||||||
|
MPIR_HOME=$MPI_ROOT
|
||||||
|
MPICH_F77=$FCOMP
|
||||||
|
MPICH_F77LINKER=$FCOMP
|
||||||
|
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
|
||||||
|
I_MPI_PIN_DOMAIN=node
|
||||||
|
export I_MPI_PIN_DOMAIN
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
MPI_ROOT=$MARC_DUMMYMPI
|
||||||
|
export MPI_ROOT=$MARC_DUMMYMPI
|
||||||
|
DDM="-I$MPI_ROOT/include"
|
||||||
|
fi
|
||||||
|
|
||||||
|
#
|
||||||
|
# variables for the "maintain" script
|
||||||
|
#
|
||||||
|
|
||||||
|
MACHINENAME=LINUX
|
||||||
|
MACHINE64BIT=yes
|
||||||
|
MACHINE=Linux_EM64T
|
||||||
|
DEV=/dev/tape
|
||||||
|
GETLOG="whoami"
|
||||||
|
CLEAR="clear"
|
||||||
|
MY_UNAME=`uname -a`
|
||||||
|
|
||||||
|
# Edit following 2 lines to build with VKI Solver
|
||||||
|
#VKISOLVER=VKI
|
||||||
|
VKISOLVER=NONE
|
||||||
|
|
||||||
|
# Edit following 2 lines to build with CASI Solver
|
||||||
|
CASISOLVER=CASI
|
||||||
|
if test "$MARC_CASISOLVER" = "NONE" ; then
|
||||||
|
CASISOLVER=NONE
|
||||||
|
fi
|
||||||
|
#CASISOLVER=NONE
|
||||||
|
|
||||||
|
# Edit following 2 lines to build with MF2 Solver
|
||||||
|
MF2SOLVER=NONE
|
||||||
|
#MF2SOLVER=SERIAL
|
||||||
|
#MF2SOLVER=MF2PARALLEL
|
||||||
|
|
||||||
|
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
|
||||||
|
#INTELSOLVER=NONE
|
||||||
|
INTELSOLVER=PARDISO
|
||||||
|
|
||||||
|
# Edit following lines to build with MUMPS
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
#MUMPSSOLVER=NONE
|
||||||
|
MUMPSSOLVER=MUMPS
|
||||||
|
else
|
||||||
|
#MUMPSSOLVER=NONE
|
||||||
|
MUMPSSOLVER=MUMPS
|
||||||
|
fi
|
||||||
|
|
||||||
|
# Edit following 2 lines to build MARC dynamic shared library
|
||||||
|
MARC_DLL=MARC_DLL
|
||||||
|
MARC_DLL=NONE
|
||||||
|
|
||||||
|
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
VKISOLVER=NONE
|
||||||
|
CASISOLVER=NONE
|
||||||
|
MF2SOLVER=NONE
|
||||||
|
INTELSOLVER=NONE
|
||||||
|
MUMPSSOLVER=NONE
|
||||||
|
BCSGPUSOLVER=NONE
|
||||||
|
MARC_DLL=NONE
|
||||||
|
fi
|
||||||
|
|
||||||
|
#
|
||||||
|
# define Fortran and C compile syntax
|
||||||
|
#
|
||||||
|
if test "$VKISOLVER" = VKI
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$CASISOLVER" = CASI
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MF2SOLVER" = MF2PARALLEL
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
|
||||||
|
fi
|
||||||
|
if test "$MF2SOLVER" = MF2SERIAL
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$INTELSOLVER" = PARDISO
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MUMPSSOLVER" = MUMPS
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
if test "$MARC_DLL" = MARC_DLL
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
|
||||||
|
fi
|
||||||
|
|
||||||
|
LINK_OPT=
|
||||||
|
DEBUG_OPT=
|
||||||
|
C_DEBUG_OPT=
|
||||||
|
|
||||||
|
#Uncomment following line to build Marc in debuggable mode
|
||||||
|
MARCDEBUG=
|
||||||
|
#MARCDEBUG="ON"
|
||||||
|
|
||||||
|
if test "$MARCDEBUG" = "ON"
|
||||||
|
then
|
||||||
|
LINK_OPT="-debug -traceback"
|
||||||
|
DEBUG_OPT="-debug -traceback"
|
||||||
|
C_DEBUG_OPT="-debug -traceback"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
MARCCHECK=
|
||||||
|
#MARCCHECK="ON"
|
||||||
|
if test "$MARCCHECK" = "ON"
|
||||||
|
then
|
||||||
|
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
|
||||||
|
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
|
||||||
|
fi
|
||||||
|
|
||||||
|
MARCCODECOV=
|
||||||
|
#MARCCODECOV="ON"
|
||||||
|
|
||||||
|
MARCCODEPROF=
|
||||||
|
#MARCCODEPROF="ON"
|
||||||
|
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
I8FFLAGS="-real-size 64 -integer-size 32"
|
||||||
|
I8DEFINES="-DFLOAT=8 -DINT=4"
|
||||||
|
I8CDEFINES=
|
||||||
|
I8CASIDEFS=
|
||||||
|
else
|
||||||
|
I8FFLAGS="-i8 -real-size 64 -integer-size 64"
|
||||||
|
I8DEFINES="-DI64 -DFLOAT=8 -DINT=8"
|
||||||
|
I8CDEFINES="-U_DOUBLE -D_SINGLE"
|
||||||
|
I8CASIDEFS="-DCASI_64BIT_INT=1"
|
||||||
|
fi
|
||||||
|
|
||||||
|
MTHREAD=OPENMP
|
||||||
|
if test "$MARC_OPENMP" = "NONE" ; then
|
||||||
|
MTHREAD=NONE
|
||||||
|
fi
|
||||||
|
#MTHREAD=NONE
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
MTHREAD=NONE
|
||||||
|
fi
|
||||||
|
|
||||||
|
OMP_COMPAT=NO
|
||||||
|
OMP_COMPAT=YES
|
||||||
|
if test "$MTHREAD" = "NONE"
|
||||||
|
then
|
||||||
|
OMP_COMPAT=NO
|
||||||
|
fi
|
||||||
|
|
||||||
|
CDEFINES=
|
||||||
|
FDEFINES=
|
||||||
|
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
|
||||||
|
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
|
||||||
|
fi
|
||||||
|
|
||||||
|
FDEFINES="$FDEFINES -D_IMPLICITNONE"
|
||||||
|
|
||||||
|
if test "$_OEM_NASTRAN" -eq 0
|
||||||
|
then
|
||||||
|
FDEFINES="$FDEFINES -DMKL -DOPENMP"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$OMP_COMPAT" = "YES"
|
||||||
|
then
|
||||||
|
FDEFINES="$FDEFINES -DOMP_COMPAT"
|
||||||
|
fi
|
||||||
|
|
||||||
|
# -D_MSCMARC
|
||||||
|
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
|
||||||
|
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
|
||||||
|
|
||||||
|
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
CINCL="$CINCL -I../../include"
|
||||||
|
fi
|
||||||
|
|
||||||
|
CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
|
||||||
|
if test "$MARCDEBUG" = "ON"
|
||||||
|
then
|
||||||
|
CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
fi
|
||||||
|
|
||||||
|
LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
|
||||||
|
CCT="$CC"
|
||||||
|
CCTLOW="$CCLOW"
|
||||||
|
CCTHIGH="$CCHIGH"
|
||||||
|
|
||||||
|
CC_CASI="$CC -std=c99 $I8CASIDEFS"
|
||||||
|
CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
|
||||||
|
CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
|
||||||
|
|
||||||
|
CCT_CASI="$CCT -std=c99 $I8CASIDEFS"
|
||||||
|
CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
|
||||||
|
CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
|
||||||
|
|
||||||
|
#PROFILE="-Mprof=func"
|
||||||
|
#PROFILE="-Mprof=lines"
|
||||||
|
#PROFILE="-Mprof=func,mpi"
|
||||||
|
PROFILE=
|
||||||
|
if test "$MARCCODECOV" = "ON"
|
||||||
|
then
|
||||||
|
PROFILE="-prof-gen=srcpos"
|
||||||
|
fi
|
||||||
|
if test "$MARCCODEPROF" = "ON"
|
||||||
|
then
|
||||||
|
PROFILE=" $PROFILE -pg"
|
||||||
|
fi
|
||||||
|
|
||||||
|
FORT_OPT="-c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||||
|
if test "$MTHREAD" = "OPENMP"
|
||||||
|
then
|
||||||
|
FORT_OPT=" $FORT_OPT -qopenmp"
|
||||||
|
if test "$OMP_COMPAT" = "YES"
|
||||||
|
then
|
||||||
|
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
# FORT_OPT=" $FORT_OPT -auto "
|
||||||
|
FORT_OPT=" $FORT_OPT -save -zero"
|
||||||
|
fi
|
||||||
|
|
||||||
|
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||||
|
# for compiling free form f90 files. high opt, integer(4)
|
||||||
|
FORTF90="$FCOMP -c -O3"
|
||||||
|
|
||||||
|
# determine DAMASK version
|
||||||
|
if test -n "$DAMASK_USER"; then
|
||||||
|
DAMASKROOT=`dirname $DAMASK_USER`/..
|
||||||
|
read DAMASKVERSION < $DAMASKROOT/VERSION
|
||||||
|
DAMASKVERSION="'"$DAMASKVERSION"'"
|
||||||
|
else
|
||||||
|
DAMASKVERSION="'N/A'"
|
||||||
|
fi
|
||||||
|
|
||||||
|
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||||
|
DFORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-qopenmp -qopenmp-threadprivate=compat\
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-qopenmp -qopenmp-threadprivate=compat\
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias -O2 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-qopenmp -qopenmp-threadprivate=compat\
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
|
||||||
|
if test "$MARCDEBUG" = "ON"
|
||||||
|
then
|
||||||
|
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||||
|
|
||||||
|
# DAMASK compiler calls: additional flags are in line 2 OpenMP flags in line 3
|
||||||
|
DFORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTLOWMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-qopenmp -qopenmp-threadprivate=compat\
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTRANMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-qopenmp -qopenmp-threadprivate=compat\
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-enable sc3 -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
DFORTHIGHMP="$FCOMP -c -assume byterecl -stand f08 -standard-semantics -safe_cray_ptr $PROFILE -zero -mp1 -WB -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-fpp -ftz -diag-disable 5268 -warn declarations -warn general -warn usage -warn interfaces -warn ignore_loc -warn alignments -DMarc4DAMASK=2016 -DDAMASKVERSION=$DAMASKVERSION \
|
||||||
|
-qopenmp -qopenmp-threadprivate=compat\
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
|
||||||
|
fi
|
||||||
|
|
||||||
|
FORTLOWT="$FORTLOW"
|
||||||
|
FORTRANT="$FORTRAN"
|
||||||
|
FORTHIGHT="$FORTHIGH"
|
||||||
|
|
||||||
|
FORTRANMNF="$FCOMP -c $FDEFINES "
|
||||||
|
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
|
||||||
|
|
||||||
|
FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -DMPI_I8 -nofor_main"
|
||||||
|
CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
||||||
|
CCMUMPS="$CCMUMPS -DINTSIZE64"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
|
||||||
|
NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
|
||||||
|
NVCCLIB="ar rvl"
|
||||||
|
NVCCLD=icc
|
||||||
|
BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common"
|
||||||
|
BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common"
|
||||||
|
BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
|
||||||
|
BCSFORT90HIGH="$BCSFORTHIGH"
|
||||||
|
if test "$MARCDEBUG" = "ON"
|
||||||
|
then
|
||||||
|
BCSFORTRAN=$BCSFORTLOW
|
||||||
|
BCSFORTHIGH=$BCSFORTLOW
|
||||||
|
BCSFORT90HIGH=$BCSFORTLOW
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test $MPITYPE != none
|
||||||
|
then
|
||||||
|
if test $MPITYPE = hpmpi
|
||||||
|
then
|
||||||
|
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||||
|
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||||
|
fi
|
||||||
|
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
|
||||||
|
# if test $MPITYPE = intelmpi
|
||||||
|
# then
|
||||||
|
# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
|
||||||
|
# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||||
|
# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||||
|
# fi
|
||||||
|
if test $MPITYPE = intelmpi
|
||||||
|
then
|
||||||
|
LOAD="ifort $PROFILE $LINK_OPT -o "
|
||||||
|
LOADT="ifort $PROFILE $LINK_OPT -o "
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
LOAD="$FCOMP $LINK_OPT -o "
|
||||||
|
LOADT="$FCOMP $LINK_OPT -o "
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MARC_DLL" = MARC_DLL
|
||||||
|
then
|
||||||
|
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||||
|
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||||
|
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||||
|
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||||
|
CC="$CC -fPIC"
|
||||||
|
CCMNF="$CCMNF -fPIC"
|
||||||
|
CC_CASI="$CC_CASI -fPIC"
|
||||||
|
CCLOW_CASI="$CCLOW_CASI -fPIC"
|
||||||
|
CCHIGH_CASI="$CCHIGH_CASI -fPIC"
|
||||||
|
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
|
||||||
|
LINK_MARC_DLL="-shared -fPIC"
|
||||||
|
LOAD_DLL=$LOAD
|
||||||
|
LOADT_DLL=$LOADT
|
||||||
|
EXT_DLL="so"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
XLIBS="-L/usr/X11/lib -lX11 "
|
||||||
|
|
||||||
|
#
|
||||||
|
# define archive and ranlib syntax
|
||||||
|
#
|
||||||
|
|
||||||
|
ARC="ar rvl"
|
||||||
|
ARD="ar dvl"
|
||||||
|
ARX="ar xl"
|
||||||
|
RAN=""
|
||||||
|
|
||||||
|
#
|
||||||
|
# choose which libraries you want to use ( e.g. blas )
|
||||||
|
#
|
||||||
|
|
||||||
|
if test "$VKISOLVER" = VKI
|
||||||
|
then
|
||||||
|
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
|
||||||
|
else
|
||||||
|
VKISOLVERLIBS=
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$CASISOLVER" = CASI
|
||||||
|
then
|
||||||
|
CASISOLVERLIBS="$MARC_CASI/casilib.a"
|
||||||
|
else
|
||||||
|
CASISOLVERLIBS=
|
||||||
|
fi
|
||||||
|
|
||||||
|
MF2SOLVERLIBS=
|
||||||
|
if test "$MF2SOLVER" = MF2PARALLEL
|
||||||
|
then
|
||||||
|
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
|
||||||
|
$MARC_LIB/mf2parallel/libsym.a \
|
||||||
|
$MARC_LIB/mf2parallel/libmet.a \
|
||||||
|
$MARC_LIB/mf2parallel/libmf2.a \
|
||||||
|
$MARC_LIB/mf2parallel/libgauss.a \
|
||||||
|
$MARC_LIB/mf2parallel/libmf2.a \
|
||||||
|
$MARC_LIB/mf2parallel/libgauss.a \
|
||||||
|
$MARC_LIB/mf2parallel/libnum.a \
|
||||||
|
$MARC_LIB/mf2parallel/libutl.a \
|
||||||
|
$MARC_LIB/mf2parallel/libr8.a \
|
||||||
|
$MARC_LIB/mf2parallel/libz.a "
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MUMPSSOLVER" = MUMPS
|
||||||
|
then
|
||||||
|
MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
|
||||||
|
if test $MPITYPE = none
|
||||||
|
then
|
||||||
|
MUMPSSOLVERLIBS2=
|
||||||
|
echo hello > /dev/null
|
||||||
|
fi
|
||||||
|
if test $MPITYPE = intelmpi
|
||||||
|
then
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
|
||||||
|
else
|
||||||
|
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
if test $MPITYPE = hpmpi
|
||||||
|
then
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a"
|
||||||
|
else
|
||||||
|
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a"
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
MUMPSSOLVERLIBS=
|
||||||
|
MUMPSSOLVERLIBS2=
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$BCSGPUSOLVER" = BCSGPU
|
||||||
|
then
|
||||||
|
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
|
||||||
|
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
|
||||||
|
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
|
||||||
|
MARCCUDALIBS=$MARCCUDALIBS1
|
||||||
|
CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
|
||||||
|
else
|
||||||
|
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_lp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||||
|
else
|
||||||
|
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_core.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SECLIBS="-L$MARC_LIB -llapi"
|
||||||
|
|
||||||
|
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
||||||
|
$MKLLIB -L$MARC_MKL -liomp5 \
|
||||||
|
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
|
||||||
|
|
||||||
|
SOLVERLIBS_DLL=${SOLVERLIBS}
|
||||||
|
|
||||||
|
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
|
||||||
|
MRCLIBSPAR="$MARC_LIB/clib.a"
|
||||||
|
STUBS="$MARC_LIB/stubs.a "
|
||||||
|
MNFLIBS="$MARC_LIB/libmnf.a"
|
||||||
|
MDUSER="$MARC_LIB/md_user.a"
|
||||||
|
if test "X$MARC_SIMUFACT" != "X"
|
||||||
|
then
|
||||||
|
SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
|
||||||
|
else
|
||||||
|
SFLIB=" "
|
||||||
|
fi
|
||||||
|
|
||||||
|
OPENMP="-qopenmp"
|
||||||
|
|
||||||
|
SYSLIBS=" $OPENMP -lpthread -cxxlib"
|
||||||
|
|
||||||
|
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
|
||||||
|
# if test $MPITYPE = intelmpi
|
||||||
|
# then
|
||||||
|
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
|
||||||
|
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
|
||||||
|
# fi
|
||||||
|
if test $MPITYPE = intelmpi
|
||||||
|
then
|
||||||
|
SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -cxxlib"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
SYSLIBSPAR=" "
|
||||||
|
|
||||||
|
MARC_DLL_CODES="runmarc.f"
|
||||||
|
|
||||||
|
|
||||||
|
BLAS_SRC="dzero.f icopy.f izero.f"
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
|
||||||
|
else
|
||||||
|
BLAS_SRC="ALL"
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
|
||||||
|
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
|
||||||
|
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
|
||||||
|
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
|
||||||
|
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
||||||
|
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
|
||||||
|
fi
|
||||||
|
LOW_OPT_CODES_CASI=""
|
||||||
|
|
||||||
|
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
|
||||||
|
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
|
||||||
|
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
|
||||||
|
|
||||||
|
|
||||||
|
HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
|
||||||
|
|
||||||
|
MAXNUM=1000000
|
||||||
|
|
@ -0,0 +1,726 @@
|
||||||
|
#
|
||||||
|
# General definitions for the Marc 2017 version
|
||||||
|
#
|
||||||
|
# EM64T
|
||||||
|
#
|
||||||
|
# Linux RedHat 6.7 / RedHat 7.1 / SuSE 11 SP3
|
||||||
|
#
|
||||||
|
# 64 bit MPI version
|
||||||
|
#
|
||||||
|
# Intel(R) Fortran Intel(R) 64 Compiler XE for applications
|
||||||
|
# running on Intel(R) 64, Version 16.0.2.181 Build 20160204
|
||||||
|
#
|
||||||
|
# Intel(R) C Intel(R) 64 Compiler XE for applications
|
||||||
|
# running on Intel(R) 64, Version 16.0.2.181 Build 20160204
|
||||||
|
#
|
||||||
|
# To check the O/S level, type:
|
||||||
|
# uname -a
|
||||||
|
#
|
||||||
|
# Distributed parallel MPI libraries:
|
||||||
|
# 1) HP MPI 2.3
|
||||||
|
# To check the mpi version, type:
|
||||||
|
# mpirun -version
|
||||||
|
# 2) Intel MPI 5.1.3
|
||||||
|
# To check the mpi version, type:
|
||||||
|
# mpiexec.hydra -version
|
||||||
|
#
|
||||||
|
# To check the Compiler level, type using the compiler
|
||||||
|
# installation path:
|
||||||
|
# ifort -V
|
||||||
|
# icc -V
|
||||||
|
#
|
||||||
|
# REMARKS : This file contains the definitions of variables used during
|
||||||
|
# compilation loading and use of the MARC programmes . The
|
||||||
|
# current machine type is identified by means of the variable
|
||||||
|
# MACHINE , defined below.
|
||||||
|
#
|
||||||
|
#
|
||||||
|
# MPI_ROOT: root directory in which mpi shared libraries, etc. are located
|
||||||
|
# DIRJOB : directory in which spawned jobs should look for Marc input
|
||||||
|
# MPI_ARCH: system architecture
|
||||||
|
# MPI_EPATH: path where executable resides
|
||||||
|
#
|
||||||
|
REVISION="VERSION, BUILD"
|
||||||
|
HOSTNAME=`hostname`
|
||||||
|
|
||||||
|
# find available memory in Mbyte on the machine
|
||||||
|
# can be set explicitly
|
||||||
|
MEMLIMIT=`free -m | awk '/Mem:/ {print $2}'`
|
||||||
|
|
||||||
|
# set _OEM_NASTRAN to 1 for MD Nastran build
|
||||||
|
# override _OEM_NASTRAN setting with MARC_MD_NASTRAN environment variable
|
||||||
|
_OEM_NASTRAN="${MARC_MD_NASTRAN:-0}"
|
||||||
|
|
||||||
|
# uncomment the following line for an autoforge build
|
||||||
|
#AUTOFORGE=1
|
||||||
|
AUTOFORGE=0
|
||||||
|
export AUTOFORGE
|
||||||
|
|
||||||
|
# integer size
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "" ; then
|
||||||
|
INTEGER_PATH=
|
||||||
|
else
|
||||||
|
INTEGER_PATH=/$MARC_INTEGER_SIZE
|
||||||
|
fi
|
||||||
|
|
||||||
|
FCOMP=ifort
|
||||||
|
INTELPATH="/opt/intel/compilers_and_libraries_2016/linux"
|
||||||
|
|
||||||
|
# find the root directory of the compiler installation:
|
||||||
|
# - if ifort is found in $PATH, then the root directory is derived
|
||||||
|
# from the path to ifort
|
||||||
|
# - if ifort is not found in $PATH, the root directory is assumed
|
||||||
|
# to be $INTELPATH and the directory in which ifort is found is
|
||||||
|
# added to $PATH
|
||||||
|
FCOMPPATH=`which "$FCOMP" 2>/dev/null`
|
||||||
|
if test -n "$FCOMPPATH"; then
|
||||||
|
# derive the root directory from $FCOMPPATH
|
||||||
|
FCOMPROOT="${FCOMPPATH%/bin/intel64/$FCOMP}"
|
||||||
|
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||||
|
FCOMPROOT="${FCOMPPATH%/bin/$FCOMP}"
|
||||||
|
fi
|
||||||
|
if test "$FCOMPROOT" = "$FCOMPPATH"; then
|
||||||
|
FCOMPROOT=
|
||||||
|
fi
|
||||||
|
elif test -d "$INTELPATH"; then
|
||||||
|
# check for compiler in $INTELPATH
|
||||||
|
if test -d "$INTELPATH/bin/intel64" -a \
|
||||||
|
-x "$INTELPATH/bin/intel64/$FCOMP" ; then
|
||||||
|
FCOMPROOT="$INTELPATH"
|
||||||
|
PATH="$INTELPATH/bin/intel64:$PATH"
|
||||||
|
elif test -d "$INTELPATH/bin" -a \
|
||||||
|
-x "$INTELPATH/bin/$FCOMP"; then
|
||||||
|
FCOMPROOT="$INTELPATH"
|
||||||
|
PATH="$INTELPATH/bin:$PATH"
|
||||||
|
else
|
||||||
|
FCOMPROOT=
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
FCOMPROOT=
|
||||||
|
fi
|
||||||
|
|
||||||
|
# settings for MKL
|
||||||
|
MARC_MKL="$FCOMPROOT/mkl/lib/intel64"
|
||||||
|
|
||||||
|
#
|
||||||
|
# settings for Metis
|
||||||
|
#
|
||||||
|
METIS="-I$METIS_SOURCE/include"
|
||||||
|
METISLIBS="$MARC_LIB/metis.a "
|
||||||
|
|
||||||
|
#
|
||||||
|
# settings for MPI
|
||||||
|
#
|
||||||
|
# RCP and RSH are used for parallel network runs
|
||||||
|
# replace with similar commands like rsh if needed
|
||||||
|
RCP=/usr/bin/scp
|
||||||
|
RSH=/usr/bin/ssh
|
||||||
|
#
|
||||||
|
|
||||||
|
|
||||||
|
MPI_DEFAULT=intelmpi
|
||||||
|
MPI_OTHER=hpmpi
|
||||||
|
|
||||||
|
MPITYPE=$MPI_DEFAULT
|
||||||
|
|
||||||
|
if test $AUTOFORGE
|
||||||
|
then
|
||||||
|
if test $AUTOFORGE = 1
|
||||||
|
then
|
||||||
|
MPITYPE=none
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
# overrule MPITYPE setting with environmental variable MARC_MPITYPE
|
||||||
|
if test $MARC_MPITYPE
|
||||||
|
then
|
||||||
|
MPITYPE=$MARC_MPITYPE
|
||||||
|
fi
|
||||||
|
|
||||||
|
# always set MPITYPE to none for MD Nastran
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
MPITYPE=none
|
||||||
|
fi
|
||||||
|
|
||||||
|
# Edit following lines to build with GPGPU version of BCS Solver for
|
||||||
|
# NVIDIA platforms
|
||||||
|
#BCSGPUSOLVER=NONE
|
||||||
|
BCSGPUSOLVER=BCSGPU
|
||||||
|
|
||||||
|
# Edit following lines to set the openssl library
|
||||||
|
if test "$OPENSSL" != "NONE"
|
||||||
|
then
|
||||||
|
OPENSSL_LIB="$MARC_LIB/libcrypto.a"
|
||||||
|
fi
|
||||||
|
OPENSSL_INCLUDE=-I"$MARC_OPENSSL/include/"
|
||||||
|
|
||||||
|
|
||||||
|
SOLVERFLAGS=
|
||||||
|
if test "$BCSGPUSOLVER" = BCSGPU
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DBCSGPU -DCUDA"
|
||||||
|
BCS_DIR=bcsgpusolver
|
||||||
|
export PATH=$MARC_CUDA/bin:$MARC_CUDA/nvvm:$PATH
|
||||||
|
export LD_LIBRARY_PATH=$MARC_CUDA/lib64:$LD_LIBRARY_PATH
|
||||||
|
else
|
||||||
|
BCS_DIR=bcssolver
|
||||||
|
fi
|
||||||
|
#
|
||||||
|
# settings for MPI
|
||||||
|
#
|
||||||
|
DDM=
|
||||||
|
if test $MPITYPE != none
|
||||||
|
then
|
||||||
|
if test $MPITYPE = hpmpi
|
||||||
|
then
|
||||||
|
FCOMPMPI=mpif90
|
||||||
|
export MPI_ROOT=$MARC_HPMPI
|
||||||
|
export MPI_REMSH=$RSH
|
||||||
|
export MPI_F77=$FCOMP
|
||||||
|
ARCHITECTURE=linux_amd64
|
||||||
|
DDM="-I$MPI_ROOT/include/64 -DDDM -DHPMPI"
|
||||||
|
MPI_CLEAN=
|
||||||
|
export MPI_EPATH=$MARC_BIN
|
||||||
|
export LD_LIBRARY_PATH=$MPI_ROOT/lib/$ARCHITECTURE:$MARC_LIB:$MARC_LIB_SHARED:$LD_LIBRARY_PATH
|
||||||
|
export MPIHPSPECIAL="-e MPI_FLAGS=E,T,y1"
|
||||||
|
# Below line is moved in run_marc file
|
||||||
|
# export MPIHPSPECIAL="$MPIHPSPECIAL -e LD_LIBRARY_PATH=$LD_LIBRARY_PATH"
|
||||||
|
export MPIHPSPECIAL="$MPIHPSPECIAL -e BINDIR=$MARC_BIN"
|
||||||
|
if test -n "$MSC_LICENSE_FILE"
|
||||||
|
then
|
||||||
|
export MPIHPSPECIAL="$MPIHPSPECIAL -e MSC_LICENSE_FILE=$MSC_LICENSE_FILE"
|
||||||
|
fi
|
||||||
|
if test -n "$LM_LICENSE_FILE"
|
||||||
|
then
|
||||||
|
export MPIHPSPECIAL="$MPIHPSPECIAL -e LM_LICENSE_FILE=$LM_LICENSE_FILE"
|
||||||
|
fi
|
||||||
|
export MPIHPSPECIAL="$MPIHPSPECIAL -e MPI_LIC_CHECKER=$MPI_ROOT/bin/licensing/amd64_s8/lichk.x"
|
||||||
|
RUN_JOB2="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -f "
|
||||||
|
RUN_JOB1="$MPI_ROOT/bin/mpirun ${MPIRUNOPTIONS} -prot -w $MPIHPSPECIAL -np "
|
||||||
|
RUN_JOB0=
|
||||||
|
fi
|
||||||
|
if test $MPITYPE = intelmpi
|
||||||
|
then
|
||||||
|
INTELMPI_VERSION=HYDRA
|
||||||
|
FCOMPMPI=mpiifort
|
||||||
|
MPI_ROOT=$MARC_INTELMPI
|
||||||
|
DDM="-I${MPI_ROOT}/include64 -DDDM"
|
||||||
|
PATH=$MPI_ROOT/bin64:$PATH
|
||||||
|
export PATH
|
||||||
|
LD_LIBRARY_PATH=$MPI_ROOT/lib64:$LD_LIBRARY_PATH
|
||||||
|
export LD_LIBRARY_PATH
|
||||||
|
if test $INTELMPI_VERSION = HYDRA
|
||||||
|
then
|
||||||
|
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec.hydra -genvall -n "
|
||||||
|
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec.hydra -genvall"
|
||||||
|
else
|
||||||
|
RUN_JOB1="${MPI_ROOT}/bin64/mpiexec -n "
|
||||||
|
RUN_JOB2="${MPI_ROOT}/bin64/mpiexec -configfile "
|
||||||
|
fi
|
||||||
|
RUN_JOB0=
|
||||||
|
MPI_CLEAN=
|
||||||
|
MPI_EPATH=$MARC_BIN
|
||||||
|
MPIR_HOME=$MPI_ROOT
|
||||||
|
MPICH_F77=$FCOMP
|
||||||
|
MPICH_F77LINKER=$FCOMP
|
||||||
|
export MPI_ROOT MPI_EPATH MPIR_HOME MPICH_F77 MPICH_F77LINKER
|
||||||
|
I_MPI_PIN_DOMAIN=node
|
||||||
|
export I_MPI_PIN_DOMAIN
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
MPI_ROOT=$MARC_DUMMYMPI
|
||||||
|
export MPI_ROOT=$MARC_DUMMYMPI
|
||||||
|
DDM="-I$MPI_ROOT/include"
|
||||||
|
fi
|
||||||
|
|
||||||
|
#
|
||||||
|
# variables for the "maintain" script
|
||||||
|
#
|
||||||
|
|
||||||
|
MACHINENAME=LINUX
|
||||||
|
MACHINE64BIT=yes
|
||||||
|
MACHINE=Linux_EM64T
|
||||||
|
DEV=/dev/tape
|
||||||
|
GETLOG="whoami"
|
||||||
|
CLEAR="clear"
|
||||||
|
MY_UNAME=`uname -a`
|
||||||
|
|
||||||
|
# Edit following 2 lines to build with VKI Solver
|
||||||
|
#VKISOLVER=VKI
|
||||||
|
VKISOLVER=NONE
|
||||||
|
|
||||||
|
# Edit following 2 lines to build with CASI Solver
|
||||||
|
CASISOLVER=CASI
|
||||||
|
if test "$MARC_CASISOLVER" = "NONE" ; then
|
||||||
|
CASISOLVER=NONE
|
||||||
|
fi
|
||||||
|
#CASISOLVER=NONE
|
||||||
|
|
||||||
|
# Edit following 2 lines to build with MF2 Solver
|
||||||
|
MF2SOLVER=NONE
|
||||||
|
#MF2SOLVER=SERIAL
|
||||||
|
#MF2SOLVER=MF2PARALLEL
|
||||||
|
|
||||||
|
# Edit following lines to build with Intel(c) Multithreaded solver (PARDISO)
|
||||||
|
#INTELSOLVER=NONE
|
||||||
|
INTELSOLVER=PARDISO
|
||||||
|
|
||||||
|
# Edit following lines to build with MUMPS
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
#MUMPSSOLVER=NONE
|
||||||
|
MUMPSSOLVER=MUMPS
|
||||||
|
else
|
||||||
|
#MUMPSSOLVER=NONE
|
||||||
|
MUMPSSOLVER=MUMPS
|
||||||
|
fi
|
||||||
|
|
||||||
|
# Edit following 2 lines to build MARC dynamic shared library
|
||||||
|
MARC_DLL=MARC_DLL
|
||||||
|
MARC_DLL=NONE
|
||||||
|
|
||||||
|
# always set VKISOLVER, CASISOLVER, BCSGPUSOLVER, and MARC_DLL to NONE for MD Nastran
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
VKISOLVER=NONE
|
||||||
|
CASISOLVER=NONE
|
||||||
|
MF2SOLVER=NONE
|
||||||
|
INTELSOLVER=NONE
|
||||||
|
MUMPSSOLVER=NONE
|
||||||
|
BCSGPUSOLVER=NONE
|
||||||
|
MARC_DLL=NONE
|
||||||
|
fi
|
||||||
|
|
||||||
|
#
|
||||||
|
# define Fortran and C compile syntax
|
||||||
|
#
|
||||||
|
if test "$VKISOLVER" = VKI
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DVKI"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$CASISOLVER" = CASI
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DCASI"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MF2SOLVER" = MF2PARALLEL
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DMF2PARALLEL"
|
||||||
|
fi
|
||||||
|
if test "$MF2SOLVER" = MF2SERIAL
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DMF2SERIAL"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$INTELSOLVER" = PARDISO
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DPARDISO"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MUMPSSOLVER" = MUMPS
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DMUMPS"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
if test "$MARC_DLL" = MARC_DLL
|
||||||
|
then
|
||||||
|
SOLVERFLAGS="$SOLVERFLAGS -DMARC_DLL"
|
||||||
|
fi
|
||||||
|
|
||||||
|
LINK_OPT=
|
||||||
|
DEBUG_OPT=
|
||||||
|
C_DEBUG_OPT=
|
||||||
|
|
||||||
|
#Uncomment following line to build Marc in debuggable mode
|
||||||
|
MARCDEBUG=
|
||||||
|
#MARCDEBUG="ON"
|
||||||
|
|
||||||
|
if test "$MARCDEBUG" = "ON"
|
||||||
|
then
|
||||||
|
LINK_OPT="-debug -traceback"
|
||||||
|
DEBUG_OPT="-debug -traceback"
|
||||||
|
C_DEBUG_OPT="-debug -traceback"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
MARCCHECK=
|
||||||
|
#MARCCHECK="ON"
|
||||||
|
if test "$MARCCHECK" = "ON"
|
||||||
|
then
|
||||||
|
DEBUG_OPT="$DEBUG_OPT -fpe0 -fp-stack-check -check all -ftrapuv "
|
||||||
|
C_DEBUG_OPT="$C_DEBUG_OPT -fp-stack-check -check-uninit -Wformat -ftrapuv "
|
||||||
|
fi
|
||||||
|
|
||||||
|
MARCCODECOV=
|
||||||
|
#MARCCODECOV="ON"
|
||||||
|
|
||||||
|
MARCCODEPROF=
|
||||||
|
#MARCCODEPROF="ON"
|
||||||
|
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
I8FFLAGS=
|
||||||
|
I8DEFINES=
|
||||||
|
I8CDEFINES=
|
||||||
|
I8CASIDEFS=
|
||||||
|
else
|
||||||
|
I8FFLAGS="-i8"
|
||||||
|
I8DEFINES="-DI64"
|
||||||
|
I8CDEFINES="-U_DOUBLE -D_SINGLE"
|
||||||
|
I8CASIDEFS="-DCASI_64BIT_INT=1"
|
||||||
|
fi
|
||||||
|
|
||||||
|
MTHREAD=OPENMP
|
||||||
|
if test "$MARC_OPENMP" = "NONE" ; then
|
||||||
|
MTHREAD=NONE
|
||||||
|
fi
|
||||||
|
#MTHREAD=NONE
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
MTHREAD=NONE
|
||||||
|
fi
|
||||||
|
|
||||||
|
OMP_COMPAT=NO
|
||||||
|
OMP_COMPAT=YES
|
||||||
|
if test "$MTHREAD" = "NONE"
|
||||||
|
then
|
||||||
|
OMP_COMPAT=NO
|
||||||
|
fi
|
||||||
|
|
||||||
|
CDEFINES=
|
||||||
|
FDEFINES=
|
||||||
|
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
CDEFINES="$CDEFINES -D_OEM_NASTRAN"
|
||||||
|
FDEFINES="$FDEFINES -D_OEM_NASTRAN"
|
||||||
|
fi
|
||||||
|
|
||||||
|
FDEFINES="$FDEFINES -D_IMPLICITNONE"
|
||||||
|
|
||||||
|
if test "$_OEM_NASTRAN" -eq 0
|
||||||
|
then
|
||||||
|
FDEFINES="$FDEFINES -DMKL -DOPENMP"
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$OMP_COMPAT" = "YES"
|
||||||
|
then
|
||||||
|
FDEFINES="$FDEFINES -DOMP_COMPAT"
|
||||||
|
fi
|
||||||
|
|
||||||
|
# -D_MSCMARC
|
||||||
|
FDEFINES="$FDEFINES -D_MSCMARC $DEBUG_OPT $MARC_SIMUFACT"
|
||||||
|
CDEFINES="$CDEFINES -D_MSCMARC $C_DEBUG_OPT $I8CDEFINES"
|
||||||
|
|
||||||
|
CINCL="-I$MARC_SOURCE/mdsrc -I$MARC_SOURCE/csource $METIS"
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
CINCL="$CINCL -I../../include"
|
||||||
|
fi
|
||||||
|
|
||||||
|
CC="icc -c -O1 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
CCLOW="icc -c -O0 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
CCHIGH="icc -c -O3 $I8DEFINES -DLinux -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
|
||||||
|
if test "$MARCDEBUG" = "ON"
|
||||||
|
then
|
||||||
|
CC="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
CCLOW="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
CCHIGH="icc -c -DLinux $I8DEFINES -DLINUX -DLinux_intel $CDEFINES $CINCL $SOLVERFLAGS $OPENSSL_INCLUDE "
|
||||||
|
fi
|
||||||
|
|
||||||
|
LOAD_CC="icc -O1 -DLinux -DLINUX -DLinux_intel"
|
||||||
|
CCT="$CC"
|
||||||
|
CCTLOW="$CCLOW"
|
||||||
|
CCTHIGH="$CCHIGH"
|
||||||
|
|
||||||
|
CC_CASI="$CC -std=c99 $I8CASIDEFS"
|
||||||
|
CCLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
|
||||||
|
CCHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
|
||||||
|
|
||||||
|
CCT_CASI="$CCT -std=c99 $I8CASIDEFS"
|
||||||
|
CCTLOW_CASI="$CCLOW -std=c99 $I8CASIDEFS"
|
||||||
|
CCTHIGH_CASI="$CCHIGH -std=c99 $I8CASIDEFS"
|
||||||
|
|
||||||
|
#PROFILE="-Mprof=func"
|
||||||
|
#PROFILE="-Mprof=lines"
|
||||||
|
#PROFILE="-Mprof=func,mpi"
|
||||||
|
PROFILE=
|
||||||
|
if test "$MARCCODECOV" = "ON"
|
||||||
|
then
|
||||||
|
PROFILE="-prof-gen=srcpos"
|
||||||
|
fi
|
||||||
|
if test "$MARCCODEPROF" = "ON"
|
||||||
|
then
|
||||||
|
PROFILE=" $PROFILE -pg"
|
||||||
|
fi
|
||||||
|
|
||||||
|
FORT_OPT="-c -assume byterecl -safe_cray_ptr -mp1 -WB -fp-model source"
|
||||||
|
if test "$MTHREAD" = "OPENMP"
|
||||||
|
then
|
||||||
|
FORT_OPT=" $FORT_OPT -qopenmp"
|
||||||
|
if test "$OMP_COMPAT" = "YES"
|
||||||
|
then
|
||||||
|
FORT_OPT=" $FORT_OPT -qopenmp-threadprivate=compat"
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
# FORT_OPT=" $FORT_OPT -auto "
|
||||||
|
FORT_OPT=" $FORT_OPT -save -zero"
|
||||||
|
fi
|
||||||
|
|
||||||
|
FORTLOW="$FCOMP $FORT_OPT $PROFILE -O0 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTRAN="$FCOMP $FORT_OPT $PROFILE -O1 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTNA="$FCOMP $FORT_OPT -fno-alias -O3 $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||||
|
# for compiling free form f90 files. high opt, integer(4)
|
||||||
|
FORTF90="$FCOMP -c -O3"
|
||||||
|
|
||||||
|
if test "$MARCDEBUG" = "ON"
|
||||||
|
then
|
||||||
|
FORTLOW="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTRAN="$FCOMP $FORT_OPT $PROFILE $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTHIGH="$FCOMP $FORT_OPT $PROFILE -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM $SOLVERFLAGS -I$KDTREE2_MOD"
|
||||||
|
FORTNA="$FCOMP $FORT_OPT -fno-alias $I8FFLAGS -I$MARC_SOURCE/common \
|
||||||
|
-I$MARC_SOURCE/${BCS_DIR}/common -I$MARC_SOURCE/mumpssolver/include $I8DEFINES -DLinux -DLINUX -DLinux_intel $FDEFINES $DDM"
|
||||||
|
fi
|
||||||
|
|
||||||
|
FORTLOWT="$FORTLOW"
|
||||||
|
FORTRANT="$FORTRAN"
|
||||||
|
FORTHIGHT="$FORTHIGH"
|
||||||
|
|
||||||
|
FORTRANMNF="$FCOMP -c $FDEFINES "
|
||||||
|
CCMNF="icc -c -O1 -DLinux -DLINUX -DLinux_intel -Dport2egcs -I$MARC_SOURCE/marctoadams/mnf/include -D_LARGEFILE64_SOURCE"
|
||||||
|
|
||||||
|
FORTRANMUMPS="$FCOMP -fpp $FORT_OPT $PROFILE -fno-alias -O1 -fp-model precise $FDEFINES -D_IMPLICITNONE $I8FFLAGS $I8DEFINES $DDM -I$MARC_SOURCE/mumpssolver/include -Dintel_ -DALLOW_NON_INIT -Dmetis -DMPI_I8 -nofor_main"
|
||||||
|
CCMUMPS="icc -c -DAdd_ -Dmetis -I$MARC_SOURCE/mumpssolver/include"
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
||||||
|
CCMUMPS="$CCMUMPS -DINTSIZE64"
|
||||||
|
fi
|
||||||
|
|
||||||
|
BCSCC="icc -c -O3 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_csrc $CDEFINES $CINCL"
|
||||||
|
NVCC="nvcc -c -O3 -arch sm_20 -DLOWERCASE_ -I${MARC_SOURCE}/${BCS_DIR}/bcslib_cuda/include -I${MARC_CUDA}/include -I$MARC_SOURCE/mdsrc $I8DEFINES -Xcompiler -fvisibility=hidden -Xcompiler -fPIC $I8DEFINES "
|
||||||
|
NVCCLIB="ar rvl"
|
||||||
|
NVCCLD=icc
|
||||||
|
BCSFORTLOW="$FORTLOW -I${MARC_SOURCE}/${BCS_DIR}/common"
|
||||||
|
BCSFORTRAN="$FORTRAN -I${MARC_SOURCE}/${BCS_DIR}/common"
|
||||||
|
BCSFORTHIGH="$FORTHIGH -I${MARC_SOURCE}/${BCS_DIR}/common"
|
||||||
|
BCSFORT90HIGH="$BCSFORTHIGH"
|
||||||
|
if test "$MARCDEBUG" = "ON"
|
||||||
|
then
|
||||||
|
BCSFORTRAN=$BCSFORTLOW
|
||||||
|
BCSFORTHIGH=$BCSFORTLOW
|
||||||
|
BCSFORT90HIGH=$BCSFORTLOW
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test $MPITYPE != none
|
||||||
|
then
|
||||||
|
if test $MPITYPE = hpmpi
|
||||||
|
then
|
||||||
|
LOAD="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||||
|
LOADT="$MPI_ROOT/bin/$FCOMPMPI ${LOADOPTIONS} -L$MPI_ROOT/lib/$ARCHITECTURE $PROFILE $LINK_OPT -o "
|
||||||
|
fi
|
||||||
|
# Uncomment the following lines to turn on the tracer and commnet out the next 5 lines
|
||||||
|
# if test $MPITYPE = intelmpi
|
||||||
|
# then
|
||||||
|
# INCLUDEMPI="-I$MPI_ROOT/include64 -I$VT_ROOT/include"
|
||||||
|
# LOAD="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||||
|
# LOADT="$MPI_ROOT/bin64/$FCOMPMPI $PROFILE $INCLUDEMPI -g -t=log $LINK_OPT -o "
|
||||||
|
# fi
|
||||||
|
if test $MPITYPE = intelmpi
|
||||||
|
then
|
||||||
|
LOAD="ifort $PROFILE $LINK_OPT -o "
|
||||||
|
LOADT="ifort $PROFILE $LINK_OPT -o "
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
LOAD="$FCOMP $LINK_OPT -o "
|
||||||
|
LOADT="$FCOMP $LINK_OPT -o "
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MARC_DLL" = MARC_DLL
|
||||||
|
then
|
||||||
|
FORTLOW="$FORTLOW -fpp -fPIC"
|
||||||
|
FORTRAN="$FORTRAN -fpp -fPIC"
|
||||||
|
FORTHIGH="$FORTHIGH -fpp -fPIC"
|
||||||
|
FORTRANMNF="$FORTRANMNF -fpp -fPIC"
|
||||||
|
CC="$CC -fPIC"
|
||||||
|
CCMNF="$CCMNF -fPIC"
|
||||||
|
CC_CASI="$CC_CASI -fPIC"
|
||||||
|
CCLOW_CASI="$CCLOW_CASI -fPIC"
|
||||||
|
CCHIGH_CASI="$CCHIGH_CASI -fPIC"
|
||||||
|
LINK_EXE_MARC="-L$MARC_LIB -lmarc -L$MARC_LIB_SHARED -lguide -lpthread"
|
||||||
|
LINK_MARC_DLL="-shared -fPIC"
|
||||||
|
LOAD_DLL=$LOAD
|
||||||
|
LOADT_DLL=$LOADT
|
||||||
|
EXT_DLL="so"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
XLIBS="-L/usr/X11/lib -lX11 "
|
||||||
|
|
||||||
|
#
|
||||||
|
# define archive and ranlib syntax
|
||||||
|
#
|
||||||
|
|
||||||
|
ARC="ar rvl"
|
||||||
|
ARD="ar dvl"
|
||||||
|
ARX="ar xl"
|
||||||
|
RAN=""
|
||||||
|
|
||||||
|
#
|
||||||
|
# choose which libraries you want to use ( e.g. blas )
|
||||||
|
#
|
||||||
|
|
||||||
|
if test "$VKISOLVER" = VKI
|
||||||
|
then
|
||||||
|
VKISOLVERLIBS="$MARC_LIB/vkisolver.a"
|
||||||
|
else
|
||||||
|
VKISOLVERLIBS=
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$CASISOLVER" = CASI
|
||||||
|
then
|
||||||
|
CASISOLVERLIBS="$MARC_CASI/casilib.a"
|
||||||
|
else
|
||||||
|
CASISOLVERLIBS=
|
||||||
|
fi
|
||||||
|
|
||||||
|
MF2SOLVERLIBS=
|
||||||
|
if test "$MF2SOLVER" = MF2PARALLEL
|
||||||
|
then
|
||||||
|
MF2SOLVERLIBS="$MARC_LIB/mf2parallel/libseq.a \
|
||||||
|
$MARC_LIB/mf2parallel/libsym.a \
|
||||||
|
$MARC_LIB/mf2parallel/libmet.a \
|
||||||
|
$MARC_LIB/mf2parallel/libmf2.a \
|
||||||
|
$MARC_LIB/mf2parallel/libgauss.a \
|
||||||
|
$MARC_LIB/mf2parallel/libmf2.a \
|
||||||
|
$MARC_LIB/mf2parallel/libgauss.a \
|
||||||
|
$MARC_LIB/mf2parallel/libnum.a \
|
||||||
|
$MARC_LIB/mf2parallel/libutl.a \
|
||||||
|
$MARC_LIB/mf2parallel/libr8.a \
|
||||||
|
$MARC_LIB/mf2parallel/libz.a "
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MUMPSSOLVER" = MUMPS
|
||||||
|
then
|
||||||
|
MUMPSSOLVERLIBS="$MARC_LIB/libmumps.a"
|
||||||
|
if test $MPITYPE = none
|
||||||
|
then
|
||||||
|
MUMPSSOLVERLIBS2=
|
||||||
|
echo hello > /dev/null
|
||||||
|
fi
|
||||||
|
if test $MPITYPE = intelmpi
|
||||||
|
then
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_lp64.a "
|
||||||
|
else
|
||||||
|
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_intelmpi_ilp64.a "
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
if test $MPITYPE = hpmpi
|
||||||
|
then
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_lp64.a"
|
||||||
|
else
|
||||||
|
MUMPSSOLVERLIBS2=" $MARC_MKL/libmkl_blacs_ilp64.a"
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
else
|
||||||
|
MUMPSSOLVERLIBS=
|
||||||
|
MUMPSSOLVERLIBS2=
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$BCSGPUSOLVER" = BCSGPU
|
||||||
|
then
|
||||||
|
BCSSOLVERLIBS="${MARC_LIB}/bcsgpulib.a "
|
||||||
|
MARCCUDALIBS1="-L${MARC_LIB}/cuda_dummy -lmarccuda "
|
||||||
|
MARCCUDALIBS2="-L${MARC_LIB}/cuda -lmarccuda "
|
||||||
|
MARCCUDALIBS=$MARCCUDALIBS1
|
||||||
|
CUDALIBS="-L$MARC_CUDA/lib64 -lcudart -lcublas -L/usr/lib64 -lcuda "
|
||||||
|
else
|
||||||
|
BCSSOLVERLIBS="${MARC_LIB}/bcslib.a "
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
MKLLIB="$MARC_MKL/libmkl_scalapack_lp64.a $MARC_MKL/libmkl_blacs_lp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_lp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||||
|
else
|
||||||
|
MKLLIB="$MARC_MKL/libmkl_scalapack_ilp64.a $MARC_MKL/libmkl_blacs_ilp64.a -Wl,--start-group $MARC_MKL/libmkl_intel_ilp64.a $MARC_MKL/libmkl_intel_thread.a $MARC_MKL/libmkl_core.a $MUMPSSOLVERLIBS2 -Wl,--end-group"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SECLIBS="-L$MARC_LIB -llapi"
|
||||||
|
|
||||||
|
SOLVERLIBS="${BCSSOLVERLIBS} ${VKISOLVERLIBS} ${CASISOLVERLIBS} ${MF2SOLVERLIBS} \
|
||||||
|
$MKLLIB -L$MARC_MKL -liomp5 \
|
||||||
|
$MARC_LIB/blas_src.a ${ACSI_LIB}/ACSI_MarcLib.a $KDTREE2_LIB/kdtree2.a "
|
||||||
|
|
||||||
|
SOLVERLIBS_DLL=${SOLVERLIBS}
|
||||||
|
|
||||||
|
MRCLIBS="$MARC_LIB/clib.a ${CASISOLVERLIBS}"
|
||||||
|
MRCLIBSPAR="$MARC_LIB/clib.a"
|
||||||
|
STUBS="$MARC_LIB/stubs.a "
|
||||||
|
MNFLIBS="$MARC_LIB/libmnf.a"
|
||||||
|
MDUSER="$MARC_LIB/md_user.a"
|
||||||
|
if test "X$MARC_SIMUFACT" != "X"
|
||||||
|
then
|
||||||
|
SFLIB="-L$SFMATDIR -lMBA_Grain $SFMATDIR/sfclib.a "
|
||||||
|
else
|
||||||
|
SFLIB=" "
|
||||||
|
fi
|
||||||
|
|
||||||
|
OPENMP="-qopenmp"
|
||||||
|
|
||||||
|
SYSLIBS=" $OPENMP -lpthread -shared-intel -cxxlib"
|
||||||
|
|
||||||
|
# Uncomment the following lines to turn on the trace and comment out the next 4 lines
|
||||||
|
# if test $MPITYPE = intelmpi
|
||||||
|
# then
|
||||||
|
# SYSLIBS="-L${VT_ROOT}/lib -lVT -ldwarf -lelf -lm -lpthread \
|
||||||
|
# -L${MPI_ROOT}/lib64 -lmpi -lmpiif -lmpigi -lrt"
|
||||||
|
# fi
|
||||||
|
if test $MPITYPE = intelmpi
|
||||||
|
then
|
||||||
|
SYSLIBS="-L${MPI_ROOT}/lib64 -lmpi_mt -lmpifort -lrt $OPENMP -threads -lpthread -shared-intel -cxxlib"
|
||||||
|
fi
|
||||||
|
|
||||||
|
|
||||||
|
SYSLIBSPAR=" "
|
||||||
|
|
||||||
|
MARC_DLL_CODES="runmarc.f"
|
||||||
|
|
||||||
|
|
||||||
|
BLAS_SRC="dzero.f icopy.f izero.f"
|
||||||
|
if test "$_OEM_NASTRAN" -ne 0
|
||||||
|
then
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i4" ; then
|
||||||
|
BLAS_SRC="$BLAS_SRC dsctr.f zsctr.f dzasum.f daxpyi.f zaxpyi.f dgthr.f zgthr.f"
|
||||||
|
else
|
||||||
|
BLAS_SRC="ALL"
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
LOW_OPT_CODES="are163.f contro.f ndext.f omarc.f omarca.f omarcb.f omarcc.f \
|
||||||
|
omars.f fixbc.f triang.f bet049.f norst3.f eldata.f \
|
||||||
|
elec*.f elct*.f fmeig.f oada00.f ogeig.f updtrbe2.f cycrota.f \
|
||||||
|
cordef.f ogpk.f ogtan.f eldam.f formrbe3.f \
|
||||||
|
inertie.f em_sso072.f cn_fol3d_qpatch6.f cosim_begin.f"
|
||||||
|
if test "$MARC_INTEGER_SIZE" = "i8" ; then
|
||||||
|
LOW_OPT_CODES="$LOW_OPT_CODES bbcseg.f"
|
||||||
|
fi
|
||||||
|
LOW_OPT_CODES_CASI=""
|
||||||
|
|
||||||
|
HIGH_OPT_CODES="dpsmsa1.f dpsmsa2.f dpsmsa3.f dpsmsa4.f dpsmsa5.f dpsmsa6.f \
|
||||||
|
dpsmsa7.f dpsmsa8.f dpsmsa9.f dpsmsa10.f dpsmsa11.f dpsmsa12.f \
|
||||||
|
dpsmsa13.f dpsmsa14.f dpsmsa15.f dpsmsa16.f dpsmsah.f tpsmsah.f cn_qsort4_11.f "
|
||||||
|
|
||||||
|
|
||||||
|
HIGH_OPT_CODES_CASI="arithkernels.c blockedroutines.c blockedroutines_fd.c elemmatgenkernels.c longvecroutines.c sfmultutils.c solvewithbd.c"
|
||||||
|
|
||||||
|
MAXNUM=1000000
|
||||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
|
@ -0,0 +1,5 @@
|
||||||
|
#!/bin/sh
|
||||||
|
# This script opens a window running an editor.
|
||||||
|
# The command to invoke the editor is specified during DAMASK installation
|
||||||
|
|
||||||
|
%EDITOR% $*
|
||||||
|
|
@ -0,0 +1,18 @@
|
||||||
|
#!/bin/sh
|
||||||
|
# This script opens a window running an editor. The default window is an
|
||||||
|
# xterm, and the default editor is vi. These may be customized.
|
||||||
|
|
||||||
|
dir=
|
||||||
|
for d in /usr/bin /usr/bin/X11; do
|
||||||
|
if test -x "$d/xterm"; then
|
||||||
|
dir="$d"
|
||||||
|
break
|
||||||
|
fi
|
||||||
|
done
|
||||||
|
|
||||||
|
if test -z "$dir"; then
|
||||||
|
echo "$0: Could not find xterm"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
"$dir/xterm" -T "vi $*" -n "vi $*" -e vi $*
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
#!/bin/sh
|
||||||
|
|
||||||
|
if [ "$1" = "" ]; then
|
||||||
|
echo "usage: $0 job_name"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
echo STOP > $1.cnt
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
#!/bin/sh
|
||||||
|
|
||||||
|
if [ "$1" = "" ]; then
|
||||||
|
echo "usage: $0 job_name"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
echo STOP > $1.cnt
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
#!/bin/sh
|
||||||
|
|
||||||
|
if [ "$1" = "" ]; then
|
||||||
|
echo "usage: $0 job_name"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
echo STOP > $1.cnt
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
#!/bin/sh
|
||||||
|
|
||||||
|
if [ "$1" = "" ]; then
|
||||||
|
echo "usage: $0 job_name"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
echo STOP > $1.cnt
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
#!/bin/sh
|
||||||
|
|
||||||
|
if [ "$1" = "" ]; then
|
||||||
|
echo "usage: $0 job_name"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
echo STOP > $1.cnt
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
#!/bin/sh
|
||||||
|
|
||||||
|
if [ "$1" = "" ]; then
|
||||||
|
echo "usage: $0 job_name"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
echo STOP > $1.cnt
|
||||||
|
|
@ -0,0 +1,8 @@
|
||||||
|
#!/bin/sh
|
||||||
|
|
||||||
|
if [ "$1" = "" ]; then
|
||||||
|
echo "usage: $0 job_name"
|
||||||
|
exit 1
|
||||||
|
fi
|
||||||
|
|
||||||
|
echo STOP > $1.cnt
|
||||||
|
|
@ -0,0 +1,186 @@
|
||||||
|
#!/bin/sh
|
||||||
|
#
|
||||||
|
# The exit status of this script is read by Mentat.
|
||||||
|
# Normal exit status is 0.
|
||||||
|
#
|
||||||
|
|
||||||
|
DIR=/opt/msc/marc2017
|
||||||
|
if test $MARCDIR1
|
||||||
|
then
|
||||||
|
DIR=$MARCDIR1
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test -z "$DIR"; then
|
||||||
|
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||||
|
DIRSCRIPT=`dirname $REALCOM`
|
||||||
|
case $DIRSCRIPT in
|
||||||
|
\/*)
|
||||||
|
;;
|
||||||
|
*)
|
||||||
|
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
. $DIRSCRIPT/getarch
|
||||||
|
|
||||||
|
DIR="$MENTAT_MARCDIR"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SRCEXT=.f
|
||||||
|
SRCEXTC=.F
|
||||||
|
RSTEXT=.t08
|
||||||
|
PSTEXT=.t19
|
||||||
|
PSTEXTB=.t16
|
||||||
|
VWFCEXT=.vfs
|
||||||
|
|
||||||
|
slv=$1
|
||||||
|
version=$2
|
||||||
|
ndom_fea_solver=$3
|
||||||
|
ndom_preprocessor=$4
|
||||||
|
hostfile=$5
|
||||||
|
compat=$6
|
||||||
|
job=$7
|
||||||
|
srcfile=$8
|
||||||
|
srcmeth=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
restart=$1
|
||||||
|
postfile=$2
|
||||||
|
viewfactorsfile=$3
|
||||||
|
autorst=$4
|
||||||
|
copy_datfile="-ci $5"
|
||||||
|
copy_postfile="-cr $6"
|
||||||
|
scr_dir=$7
|
||||||
|
dcoup=$8
|
||||||
|
assem_recov_nthread=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
nthread=$1
|
||||||
|
nsolver=$2
|
||||||
|
mode=$3
|
||||||
|
gpu=$4
|
||||||
|
|
||||||
|
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||||
|
slv="-iam sfm"
|
||||||
|
else
|
||||||
|
slv=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||||
|
nprocds="-nprocds $ndom_fea_solver"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||||
|
nprocd="-nprocd $ndom_preprocessor"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||||
|
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||||
|
case "$srcmeth" in
|
||||||
|
-)
|
||||||
|
srcfile="-u $srcfile"
|
||||||
|
;;
|
||||||
|
compsave)
|
||||||
|
srcfile="-u $srcfile -save y"
|
||||||
|
;;
|
||||||
|
runsaved)
|
||||||
|
srcfile="-prog $srcfile"
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
else
|
||||||
|
srcfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||||
|
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||||
|
restart="-r $restart"
|
||||||
|
else
|
||||||
|
restart=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||||
|
postfile="-pid $postfile"
|
||||||
|
else
|
||||||
|
postfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||||
|
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||||
|
viewfactorsfile="-vf $viewfactorsfile"
|
||||||
|
else
|
||||||
|
viewfactorsfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||||
|
hostfile="-ho $hostfile"
|
||||||
|
else
|
||||||
|
hostfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||||
|
compat="-co $compat"
|
||||||
|
else
|
||||||
|
compat=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||||
|
scr_dir="-sd $scr_dir"
|
||||||
|
else
|
||||||
|
scr_dir=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||||
|
dcoup="-dcoup $dcoup"
|
||||||
|
else
|
||||||
|
dcoup=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||||
|
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||||
|
else
|
||||||
|
assem_recov_nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||||
|
nthread="-nthread $nthread"
|
||||||
|
else
|
||||||
|
nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||||
|
nsolver="-nsolver $nsolver"
|
||||||
|
else
|
||||||
|
nsolver=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
case "$mode" in
|
||||||
|
4) mode="-mo i4" ;;
|
||||||
|
8) mode="-mo i8" ;;
|
||||||
|
*) mode= ;;
|
||||||
|
esac
|
||||||
|
|
||||||
|
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||||
|
gpu="-gpu $gpu"
|
||||||
|
else
|
||||||
|
gpu=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
rm -f $job.cnt
|
||||||
|
rm -f $job.sts
|
||||||
|
rm -f $job.out
|
||||||
|
rm -f $job.log
|
||||||
|
|
||||||
|
# To prevent a mismatch with the python version used by the solver
|
||||||
|
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||||
|
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||||
|
unset PYTHONHOME
|
||||||
|
unset PYTHONPATH
|
||||||
|
|
||||||
|
"${DIR}/tools/run_marc" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||||
|
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||||
|
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||||
|
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||||
|
sleep 1
|
||||||
|
exit 0
|
||||||
|
|
@ -0,0 +1,187 @@
|
||||||
|
#!/bin/sh
|
||||||
|
#
|
||||||
|
# The exit status of this script is read by Mentat.
|
||||||
|
# Normal exit status is 0.
|
||||||
|
#
|
||||||
|
|
||||||
|
DIR=%INSTALLDIR%/marc%VERSION%
|
||||||
|
if test $MARCDIR1
|
||||||
|
then
|
||||||
|
DIR=$MARCDIR1
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test -z "$DIR"; then
|
||||||
|
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||||
|
DIRSCRIPT=`dirname $REALCOM`
|
||||||
|
case $DIRSCRIPT in
|
||||||
|
\/*)
|
||||||
|
;;
|
||||||
|
*)
|
||||||
|
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
. $DIRSCRIPT/getarch
|
||||||
|
|
||||||
|
DIR="$MENTAT_MARCDIR"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SRCEXT=.f
|
||||||
|
SRCEXTC=.F
|
||||||
|
RSTEXT=.t08
|
||||||
|
PSTEXT=.t19
|
||||||
|
PSTEXTB=.t16
|
||||||
|
VWFCEXT=.vfs
|
||||||
|
|
||||||
|
slv=$1
|
||||||
|
version=$2
|
||||||
|
ndom_fea_solver=$3
|
||||||
|
ndom_preprocessor=$4
|
||||||
|
hostfile=$5
|
||||||
|
compat=$6
|
||||||
|
job=$7
|
||||||
|
srcfile=$8
|
||||||
|
srcmeth=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
restart=$1
|
||||||
|
postfile=$2
|
||||||
|
viewfactorsfile=$3
|
||||||
|
autorst=$4
|
||||||
|
copy_datfile="-ci $5"
|
||||||
|
copy_postfile="-cr $6"
|
||||||
|
scr_dir=$7
|
||||||
|
dcoup=$8
|
||||||
|
assem_recov_nthread=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
nthread=$1
|
||||||
|
nsolver=$2
|
||||||
|
mode=$3
|
||||||
|
gpu=$4
|
||||||
|
|
||||||
|
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||||
|
slv="-iam sfm"
|
||||||
|
else
|
||||||
|
slv=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||||
|
nprocds="-nprocds $ndom_fea_solver"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||||
|
nprocd="-nprocd $ndom_preprocessor"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||||
|
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||||
|
case "$srcmeth" in
|
||||||
|
-)
|
||||||
|
srcfile="-u $srcfile"
|
||||||
|
;;
|
||||||
|
compsave)
|
||||||
|
srcfile="-u $srcfile -save y"
|
||||||
|
;;
|
||||||
|
runsaved)
|
||||||
|
srcfile=${srcfile%.*}".marc"
|
||||||
|
srcfile="-prog $srcfile"
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
else
|
||||||
|
srcfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||||
|
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||||
|
restart="-r $restart"
|
||||||
|
else
|
||||||
|
restart=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||||
|
postfile="-pid $postfile"
|
||||||
|
else
|
||||||
|
postfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||||
|
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||||
|
viewfactorsfile="-vf $viewfactorsfile"
|
||||||
|
else
|
||||||
|
viewfactorsfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||||
|
hostfile="-ho $hostfile"
|
||||||
|
else
|
||||||
|
hostfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||||
|
compat="-co $compat"
|
||||||
|
else
|
||||||
|
compat=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||||
|
scr_dir="-sd $scr_dir"
|
||||||
|
else
|
||||||
|
scr_dir=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||||
|
dcoup="-dcoup $dcoup"
|
||||||
|
else
|
||||||
|
dcoup=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||||
|
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||||
|
else
|
||||||
|
assem_recov_nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||||
|
nthread="-nthread $nthread"
|
||||||
|
else
|
||||||
|
nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||||
|
nsolver="-nsolver $nsolver"
|
||||||
|
else
|
||||||
|
nsolver=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
case "$mode" in
|
||||||
|
4) mode="-mo i4" ;;
|
||||||
|
8) mode="-mo i8" ;;
|
||||||
|
*) mode= ;;
|
||||||
|
esac
|
||||||
|
|
||||||
|
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||||
|
gpu="-gpu $gpu"
|
||||||
|
else
|
||||||
|
gpu=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
rm -f $job.cnt
|
||||||
|
rm -f $job.sts
|
||||||
|
rm -f $job.out
|
||||||
|
rm -f $job.log
|
||||||
|
|
||||||
|
# To prevent a mismatch with the python version used by the solver
|
||||||
|
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||||
|
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||||
|
unset PYTHONHOME
|
||||||
|
unset PYTHONPATH
|
||||||
|
|
||||||
|
"${DIR}/tools/run_damask_hmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||||
|
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||||
|
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||||
|
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||||
|
sleep 1
|
||||||
|
exit 0
|
||||||
|
|
@ -0,0 +1,187 @@
|
||||||
|
#!/bin/sh
|
||||||
|
#
|
||||||
|
# The exit status of this script is read by Mentat.
|
||||||
|
# Normal exit status is 0.
|
||||||
|
#
|
||||||
|
|
||||||
|
DIR=%INSTALLDIR%/marc%VERSION%
|
||||||
|
if test $MARCDIR1
|
||||||
|
then
|
||||||
|
DIR=$MARCDIR1
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test -z "$DIR"; then
|
||||||
|
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||||
|
DIRSCRIPT=`dirname $REALCOM`
|
||||||
|
case $DIRSCRIPT in
|
||||||
|
\/*)
|
||||||
|
;;
|
||||||
|
*)
|
||||||
|
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
. $DIRSCRIPT/getarch
|
||||||
|
|
||||||
|
DIR="$MENTAT_MARCDIR"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SRCEXT=.f
|
||||||
|
SRCEXTC=.F
|
||||||
|
RSTEXT=.t08
|
||||||
|
PSTEXT=.t19
|
||||||
|
PSTEXTB=.t16
|
||||||
|
VWFCEXT=.vfs
|
||||||
|
|
||||||
|
slv=$1
|
||||||
|
version=$2
|
||||||
|
ndom_fea_solver=$3
|
||||||
|
ndom_preprocessor=$4
|
||||||
|
hostfile=$5
|
||||||
|
compat=$6
|
||||||
|
job=$7
|
||||||
|
srcfile=$8
|
||||||
|
srcmeth=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
restart=$1
|
||||||
|
postfile=$2
|
||||||
|
viewfactorsfile=$3
|
||||||
|
autorst=$4
|
||||||
|
copy_datfile="-ci $5"
|
||||||
|
copy_postfile="-cr $6"
|
||||||
|
scr_dir=$7
|
||||||
|
dcoup=$8
|
||||||
|
assem_recov_nthread=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
nthread=$1
|
||||||
|
nsolver=$2
|
||||||
|
mode=$3
|
||||||
|
gpu=$4
|
||||||
|
|
||||||
|
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||||
|
slv="-iam sfm"
|
||||||
|
else
|
||||||
|
slv=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||||
|
nprocds="-nprocds $ndom_fea_solver"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||||
|
nprocd="-nprocd $ndom_preprocessor"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||||
|
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||||
|
case "$srcmeth" in
|
||||||
|
-)
|
||||||
|
srcfile="-u $srcfile"
|
||||||
|
;;
|
||||||
|
compsave)
|
||||||
|
srcfile="-u $srcfile -save y"
|
||||||
|
;;
|
||||||
|
runsaved)
|
||||||
|
srcfile=${srcfile%.*}".marc"
|
||||||
|
srcfile="-prog $srcfile"
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
else
|
||||||
|
srcfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||||
|
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||||
|
restart="-r $restart"
|
||||||
|
else
|
||||||
|
restart=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||||
|
postfile="-pid $postfile"
|
||||||
|
else
|
||||||
|
postfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||||
|
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||||
|
viewfactorsfile="-vf $viewfactorsfile"
|
||||||
|
else
|
||||||
|
viewfactorsfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||||
|
hostfile="-ho $hostfile"
|
||||||
|
else
|
||||||
|
hostfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||||
|
compat="-co $compat"
|
||||||
|
else
|
||||||
|
compat=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||||
|
scr_dir="-sd $scr_dir"
|
||||||
|
else
|
||||||
|
scr_dir=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||||
|
dcoup="-dcoup $dcoup"
|
||||||
|
else
|
||||||
|
dcoup=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||||
|
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||||
|
else
|
||||||
|
assem_recov_nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||||
|
nthread="-nthread $nthread"
|
||||||
|
else
|
||||||
|
nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||||
|
nsolver="-nsolver $nsolver"
|
||||||
|
else
|
||||||
|
nsolver=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
case "$mode" in
|
||||||
|
4) mode="-mo i4" ;;
|
||||||
|
8) mode="-mo i8" ;;
|
||||||
|
*) mode= ;;
|
||||||
|
esac
|
||||||
|
|
||||||
|
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||||
|
gpu="-gpu $gpu"
|
||||||
|
else
|
||||||
|
gpu=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
rm -f $job.cnt
|
||||||
|
rm -f $job.sts
|
||||||
|
rm -f $job.out
|
||||||
|
rm -f $job.log
|
||||||
|
|
||||||
|
# To prevent a mismatch with the python version used by the solver
|
||||||
|
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||||
|
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||||
|
unset PYTHONHOME
|
||||||
|
unset PYTHONPATH
|
||||||
|
|
||||||
|
"${DIR}/tools/run_damask_mp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||||
|
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||||
|
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||||
|
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||||
|
sleep 1
|
||||||
|
exit 0
|
||||||
|
|
@ -0,0 +1,187 @@
|
||||||
|
#!/bin/sh
|
||||||
|
#
|
||||||
|
# The exit status of this script is read by Mentat.
|
||||||
|
# Normal exit status is 0.
|
||||||
|
#
|
||||||
|
|
||||||
|
DIR=%INSTALLDIR%/marc%VERSION%
|
||||||
|
if test $MARCDIR1
|
||||||
|
then
|
||||||
|
DIR=$MARCDIR1
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test -z "$DIR"; then
|
||||||
|
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||||
|
DIRSCRIPT=`dirname $REALCOM`
|
||||||
|
case $DIRSCRIPT in
|
||||||
|
\/*)
|
||||||
|
;;
|
||||||
|
*)
|
||||||
|
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
. $DIRSCRIPT/getarch
|
||||||
|
|
||||||
|
DIR="$MENTAT_MARCDIR"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SRCEXT=.f
|
||||||
|
SRCEXTC=.F
|
||||||
|
RSTEXT=.t08
|
||||||
|
PSTEXT=.t19
|
||||||
|
PSTEXTB=.t16
|
||||||
|
VWFCEXT=.vfs
|
||||||
|
|
||||||
|
slv=$1
|
||||||
|
version=$2
|
||||||
|
ndom_fea_solver=$3
|
||||||
|
ndom_preprocessor=$4
|
||||||
|
hostfile=$5
|
||||||
|
compat=$6
|
||||||
|
job=$7
|
||||||
|
srcfile=$8
|
||||||
|
srcmeth=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
restart=$1
|
||||||
|
postfile=$2
|
||||||
|
viewfactorsfile=$3
|
||||||
|
autorst=$4
|
||||||
|
copy_datfile="-ci $5"
|
||||||
|
copy_postfile="-cr $6"
|
||||||
|
scr_dir=$7
|
||||||
|
dcoup=$8
|
||||||
|
assem_recov_nthread=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
nthread=$1
|
||||||
|
nsolver=$2
|
||||||
|
mode=$3
|
||||||
|
gpu=$4
|
||||||
|
|
||||||
|
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||||
|
slv="-iam sfm"
|
||||||
|
else
|
||||||
|
slv=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||||
|
nprocds="-nprocds $ndom_fea_solver"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||||
|
nprocd="-nprocd $ndom_preprocessor"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||||
|
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||||
|
case "$srcmeth" in
|
||||||
|
-)
|
||||||
|
srcfile="-u $srcfile"
|
||||||
|
;;
|
||||||
|
compsave)
|
||||||
|
srcfile="-u $srcfile -save y"
|
||||||
|
;;
|
||||||
|
runsaved)
|
||||||
|
srcfile=${srcfile%.*}".marc"
|
||||||
|
srcfile="-prog $srcfile"
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
else
|
||||||
|
srcfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||||
|
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||||
|
restart="-r $restart"
|
||||||
|
else
|
||||||
|
restart=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||||
|
postfile="-pid $postfile"
|
||||||
|
else
|
||||||
|
postfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||||
|
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||||
|
viewfactorsfile="-vf $viewfactorsfile"
|
||||||
|
else
|
||||||
|
viewfactorsfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||||
|
hostfile="-ho $hostfile"
|
||||||
|
else
|
||||||
|
hostfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||||
|
compat="-co $compat"
|
||||||
|
else
|
||||||
|
compat=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||||
|
scr_dir="-sd $scr_dir"
|
||||||
|
else
|
||||||
|
scr_dir=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||||
|
dcoup="-dcoup $dcoup"
|
||||||
|
else
|
||||||
|
dcoup=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||||
|
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||||
|
else
|
||||||
|
assem_recov_nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||||
|
nthread="-nthread $nthread"
|
||||||
|
else
|
||||||
|
nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||||
|
nsolver="-nsolver $nsolver"
|
||||||
|
else
|
||||||
|
nsolver=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
case "$mode" in
|
||||||
|
4) mode="-mo i4" ;;
|
||||||
|
8) mode="-mo i8" ;;
|
||||||
|
*) mode= ;;
|
||||||
|
esac
|
||||||
|
|
||||||
|
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||||
|
gpu="-gpu $gpu"
|
||||||
|
else
|
||||||
|
gpu=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
rm -f $job.cnt
|
||||||
|
rm -f $job.sts
|
||||||
|
rm -f $job.out
|
||||||
|
rm -f $job.log
|
||||||
|
|
||||||
|
# To prevent a mismatch with the python version used by the solver
|
||||||
|
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||||
|
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||||
|
unset PYTHONHOME
|
||||||
|
unset PYTHONPATH
|
||||||
|
|
||||||
|
"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||||
|
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||||
|
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||||
|
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||||
|
sleep 1
|
||||||
|
exit 0
|
||||||
|
|
@ -0,0 +1,187 @@
|
||||||
|
#!/bin/sh
|
||||||
|
#
|
||||||
|
# The exit status of this script is read by Mentat.
|
||||||
|
# Normal exit status is 0.
|
||||||
|
#
|
||||||
|
|
||||||
|
DIR=%INSTALLDIR%/marc%VERSION%
|
||||||
|
if test $MARCDIR1
|
||||||
|
then
|
||||||
|
DIR=$MARCDIR1
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test -z "$DIR"; then
|
||||||
|
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||||
|
DIRSCRIPT=`dirname $REALCOM`
|
||||||
|
case $DIRSCRIPT in
|
||||||
|
\/*)
|
||||||
|
;;
|
||||||
|
*)
|
||||||
|
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
. $DIRSCRIPT/getarch
|
||||||
|
|
||||||
|
DIR="$MENTAT_MARCDIR"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SRCEXT=.f
|
||||||
|
SRCEXTC=.F
|
||||||
|
RSTEXT=.t08
|
||||||
|
PSTEXT=.t19
|
||||||
|
PSTEXTB=.t16
|
||||||
|
VWFCEXT=.vfs
|
||||||
|
|
||||||
|
slv=$1
|
||||||
|
version=$2
|
||||||
|
ndom_fea_solver=$3
|
||||||
|
ndom_preprocessor=$4
|
||||||
|
hostfile=$5
|
||||||
|
compat=$6
|
||||||
|
job=$7
|
||||||
|
srcfile=$8
|
||||||
|
srcmeth=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
restart=$1
|
||||||
|
postfile=$2
|
||||||
|
viewfactorsfile=$3
|
||||||
|
autorst=$4
|
||||||
|
copy_datfile="-ci $5"
|
||||||
|
copy_postfile="-cr $6"
|
||||||
|
scr_dir=$7
|
||||||
|
dcoup=$8
|
||||||
|
assem_recov_nthread=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
nthread=$1
|
||||||
|
nsolver=$2
|
||||||
|
mode=$3
|
||||||
|
gpu=$4
|
||||||
|
|
||||||
|
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||||
|
slv="-iam sfm"
|
||||||
|
else
|
||||||
|
slv=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||||
|
nprocds="-nprocds $ndom_fea_solver"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||||
|
nprocd="-nprocd $ndom_preprocessor"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||||
|
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||||
|
case "$srcmeth" in
|
||||||
|
-)
|
||||||
|
srcfile="-u $srcfile"
|
||||||
|
;;
|
||||||
|
compsave)
|
||||||
|
srcfile="-u $srcfile -save y"
|
||||||
|
;;
|
||||||
|
runsaved)
|
||||||
|
srcfile=${srcfile%.*}".marc"
|
||||||
|
srcfile="-prog $srcfile"
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
else
|
||||||
|
srcfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||||
|
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||||
|
restart="-r $restart"
|
||||||
|
else
|
||||||
|
restart=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||||
|
postfile="-pid $postfile"
|
||||||
|
else
|
||||||
|
postfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||||
|
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||||
|
viewfactorsfile="-vf $viewfactorsfile"
|
||||||
|
else
|
||||||
|
viewfactorsfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||||
|
hostfile="-ho $hostfile"
|
||||||
|
else
|
||||||
|
hostfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||||
|
compat="-co $compat"
|
||||||
|
else
|
||||||
|
compat=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||||
|
scr_dir="-sd $scr_dir"
|
||||||
|
else
|
||||||
|
scr_dir=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||||
|
dcoup="-dcoup $dcoup"
|
||||||
|
else
|
||||||
|
dcoup=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||||
|
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||||
|
else
|
||||||
|
assem_recov_nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||||
|
nthread="-nthread $nthread"
|
||||||
|
else
|
||||||
|
nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||||
|
nsolver="-nsolver $nsolver"
|
||||||
|
else
|
||||||
|
nsolver=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
case "$mode" in
|
||||||
|
4) mode="-mo i4" ;;
|
||||||
|
8) mode="-mo i8" ;;
|
||||||
|
*) mode= ;;
|
||||||
|
esac
|
||||||
|
|
||||||
|
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||||
|
gpu="-gpu $gpu"
|
||||||
|
else
|
||||||
|
gpu=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
rm -f $job.cnt
|
||||||
|
rm -f $job.sts
|
||||||
|
rm -f $job.out
|
||||||
|
rm -f $job.log
|
||||||
|
|
||||||
|
# To prevent a mismatch with the python version used by the solver
|
||||||
|
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||||
|
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||||
|
unset PYTHONHOME
|
||||||
|
unset PYTHONPATH
|
||||||
|
|
||||||
|
"${DIR}/tools/run_damask_h" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||||
|
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||||
|
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||||
|
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||||
|
sleep 1
|
||||||
|
exit 0
|
||||||
|
|
@ -0,0 +1,187 @@
|
||||||
|
#!/bin/sh
|
||||||
|
#
|
||||||
|
# The exit status of this script is read by Mentat.
|
||||||
|
# Normal exit status is 0.
|
||||||
|
#
|
||||||
|
|
||||||
|
DIR=%INSTALLDIR%/marc%VERSION%
|
||||||
|
if test $MARCDIR1
|
||||||
|
then
|
||||||
|
DIR=$MARCDIR1
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test -z "$DIR"; then
|
||||||
|
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||||
|
DIRSCRIPT=`dirname $REALCOM`
|
||||||
|
case $DIRSCRIPT in
|
||||||
|
\/*)
|
||||||
|
;;
|
||||||
|
*)
|
||||||
|
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
. $DIRSCRIPT/getarch
|
||||||
|
|
||||||
|
DIR="$MENTAT_MARCDIR"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SRCEXT=.f
|
||||||
|
SRCEXTC=.F
|
||||||
|
RSTEXT=.t08
|
||||||
|
PSTEXT=.t19
|
||||||
|
PSTEXTB=.t16
|
||||||
|
VWFCEXT=.vfs
|
||||||
|
|
||||||
|
slv=$1
|
||||||
|
version=$2
|
||||||
|
ndom_fea_solver=$3
|
||||||
|
ndom_preprocessor=$4
|
||||||
|
hostfile=$5
|
||||||
|
compat=$6
|
||||||
|
job=$7
|
||||||
|
srcfile=$8
|
||||||
|
srcmeth=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
restart=$1
|
||||||
|
postfile=$2
|
||||||
|
viewfactorsfile=$3
|
||||||
|
autorst=$4
|
||||||
|
copy_datfile="-ci $5"
|
||||||
|
copy_postfile="-cr $6"
|
||||||
|
scr_dir=$7
|
||||||
|
dcoup=$8
|
||||||
|
assem_recov_nthread=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
nthread=$1
|
||||||
|
nsolver=$2
|
||||||
|
mode=$3
|
||||||
|
gpu=$4
|
||||||
|
|
||||||
|
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||||
|
slv="-iam sfm"
|
||||||
|
else
|
||||||
|
slv=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||||
|
nprocds="-nprocds $ndom_fea_solver"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||||
|
nprocd="-nprocd $ndom_preprocessor"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||||
|
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||||
|
case "$srcmeth" in
|
||||||
|
-)
|
||||||
|
srcfile="-u $srcfile"
|
||||||
|
;;
|
||||||
|
compsave)
|
||||||
|
srcfile="-u $srcfile -save y"
|
||||||
|
;;
|
||||||
|
runsaved)
|
||||||
|
srcfile=${srcfile%.*}".marc"
|
||||||
|
srcfile="-prog $srcfile"
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
else
|
||||||
|
srcfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||||
|
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||||
|
restart="-r $restart"
|
||||||
|
else
|
||||||
|
restart=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||||
|
postfile="-pid $postfile"
|
||||||
|
else
|
||||||
|
postfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||||
|
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||||
|
viewfactorsfile="-vf $viewfactorsfile"
|
||||||
|
else
|
||||||
|
viewfactorsfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||||
|
hostfile="-ho $hostfile"
|
||||||
|
else
|
||||||
|
hostfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||||
|
compat="-co $compat"
|
||||||
|
else
|
||||||
|
compat=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||||
|
scr_dir="-sd $scr_dir"
|
||||||
|
else
|
||||||
|
scr_dir=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||||
|
dcoup="-dcoup $dcoup"
|
||||||
|
else
|
||||||
|
dcoup=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||||
|
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||||
|
else
|
||||||
|
assem_recov_nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||||
|
nthread="-nthread $nthread"
|
||||||
|
else
|
||||||
|
nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||||
|
nsolver="-nsolver $nsolver"
|
||||||
|
else
|
||||||
|
nsolver=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
case "$mode" in
|
||||||
|
4) mode="-mo i4" ;;
|
||||||
|
8) mode="-mo i8" ;;
|
||||||
|
*) mode= ;;
|
||||||
|
esac
|
||||||
|
|
||||||
|
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||||
|
gpu="-gpu $gpu"
|
||||||
|
else
|
||||||
|
gpu=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
rm -f $job.cnt
|
||||||
|
rm -f $job.sts
|
||||||
|
rm -f $job.out
|
||||||
|
rm -f $job.log
|
||||||
|
|
||||||
|
# To prevent a mismatch with the python version used by the solver
|
||||||
|
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||||
|
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||||
|
unset PYTHONHOME
|
||||||
|
unset PYTHONPATH
|
||||||
|
|
||||||
|
"${DIR}/tools/run_damask" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||||
|
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||||
|
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||||
|
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||||
|
sleep 1
|
||||||
|
exit 0
|
||||||
|
|
@ -0,0 +1,187 @@
|
||||||
|
#!/bin/sh
|
||||||
|
#
|
||||||
|
# The exit status of this script is read by Mentat.
|
||||||
|
# Normal exit status is 0.
|
||||||
|
#
|
||||||
|
|
||||||
|
DIR=%INSTALLDIR%/marc%VERSION%
|
||||||
|
if test $MARCDIR1
|
||||||
|
then
|
||||||
|
DIR=$MARCDIR1
|
||||||
|
fi
|
||||||
|
|
||||||
|
if test -z "$DIR"; then
|
||||||
|
REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
|
||||||
|
DIRSCRIPT=`dirname $REALCOM`
|
||||||
|
case $DIRSCRIPT in
|
||||||
|
\/*)
|
||||||
|
;;
|
||||||
|
*)
|
||||||
|
DIRSCRIPT=`pwd`/$DIRSCRIPT
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
. $DIRSCRIPT/getarch
|
||||||
|
|
||||||
|
DIR="$MENTAT_MARCDIR"
|
||||||
|
fi
|
||||||
|
|
||||||
|
SRCEXT=.f
|
||||||
|
SRCEXTC=.F
|
||||||
|
RSTEXT=.t08
|
||||||
|
PSTEXT=.t19
|
||||||
|
PSTEXTB=.t16
|
||||||
|
VWFCEXT=.vfs
|
||||||
|
|
||||||
|
slv=$1
|
||||||
|
version=$2
|
||||||
|
ndom_fea_solver=$3
|
||||||
|
ndom_preprocessor=$4
|
||||||
|
hostfile=$5
|
||||||
|
compat=$6
|
||||||
|
job=$7
|
||||||
|
srcfile=$8
|
||||||
|
srcmeth=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
restart=$1
|
||||||
|
postfile=$2
|
||||||
|
viewfactorsfile=$3
|
||||||
|
autorst=$4
|
||||||
|
copy_datfile="-ci $5"
|
||||||
|
copy_postfile="-cr $6"
|
||||||
|
scr_dir=$7
|
||||||
|
dcoup=$8
|
||||||
|
assem_recov_nthread=$9
|
||||||
|
shift 9 # cannot use $10, $11, ...
|
||||||
|
nthread=$1
|
||||||
|
nsolver=$2
|
||||||
|
mode=$3
|
||||||
|
gpu=$4
|
||||||
|
|
||||||
|
if [ "$slv" != "" -a "$slv" != "marc" ]; then
|
||||||
|
slv="-iam sfm"
|
||||||
|
else
|
||||||
|
slv=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
|
||||||
|
nprocds="-nprocds $ndom_fea_solver"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
|
||||||
|
nprocd="-nprocd $ndom_preprocessor"
|
||||||
|
else
|
||||||
|
nprocd=""
|
||||||
|
fi
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
|
||||||
|
srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
|
||||||
|
case "$srcmeth" in
|
||||||
|
-)
|
||||||
|
srcfile="-u $srcfile"
|
||||||
|
;;
|
||||||
|
compsave)
|
||||||
|
srcfile="-u $srcfile -save y"
|
||||||
|
;;
|
||||||
|
runsaved)
|
||||||
|
srcfile=${srcfile%.*}".marc"
|
||||||
|
srcfile="-prog $srcfile"
|
||||||
|
;;
|
||||||
|
esac
|
||||||
|
else
|
||||||
|
srcfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$restart" != "" -a "$restart" != "-" ]; then
|
||||||
|
restart=`echo $restart | sed "s/$RSTEXT$//"`
|
||||||
|
restart="-r $restart"
|
||||||
|
else
|
||||||
|
restart=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$postfile" != "" -a "$postfile" != "-" ]; then
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXT$//"`
|
||||||
|
postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
|
||||||
|
postfile="-pid $postfile"
|
||||||
|
else
|
||||||
|
postfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
|
||||||
|
viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
|
||||||
|
viewfactorsfile="-vf $viewfactorsfile"
|
||||||
|
else
|
||||||
|
viewfactorsfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
|
||||||
|
hostfile="-ho $hostfile"
|
||||||
|
else
|
||||||
|
hostfile=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$compat" != "" -a "$compat" != "-" ]; then
|
||||||
|
compat="-co $compat"
|
||||||
|
else
|
||||||
|
compat=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
|
||||||
|
scr_dir="-sd $scr_dir"
|
||||||
|
else
|
||||||
|
scr_dir=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
|
||||||
|
dcoup="-dcoup $dcoup"
|
||||||
|
else
|
||||||
|
dcoup=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
|
||||||
|
assem_recov_nthread="-nthread_elem $assem_recov_nthread"
|
||||||
|
else
|
||||||
|
assem_recov_nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
|
||||||
|
nthread="-nthread $nthread"
|
||||||
|
else
|
||||||
|
nthread=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
|
||||||
|
nsolver="-nsolver $nsolver"
|
||||||
|
else
|
||||||
|
nsolver=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
case "$mode" in
|
||||||
|
4) mode="-mo i4" ;;
|
||||||
|
8) mode="-mo i8" ;;
|
||||||
|
*) mode= ;;
|
||||||
|
esac
|
||||||
|
|
||||||
|
if [ "$gpu" != "" -a "$gpu" != "-" ]; then
|
||||||
|
gpu="-gpu $gpu"
|
||||||
|
else
|
||||||
|
gpu=""
|
||||||
|
fi
|
||||||
|
|
||||||
|
rm -f $job.cnt
|
||||||
|
rm -f $job.sts
|
||||||
|
rm -f $job.out
|
||||||
|
rm -f $job.log
|
||||||
|
|
||||||
|
# To prevent a mismatch with the python version used by the solver
|
||||||
|
# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
|
||||||
|
# unset environment variables PYTHONHOME and PYTHONPATH
|
||||||
|
unset PYTHONHOME
|
||||||
|
unset PYTHONPATH
|
||||||
|
|
||||||
|
"${DIR}/tools/run_damask_l" $slv -j $job -v n -b y $nprocds $nprocd -autorst $autorst \
|
||||||
|
$srcfile $restart $postfile $viewfactorsfile $hostfile \
|
||||||
|
$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
|
||||||
|
$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
|
||||||
|
sleep 1
|
||||||
|
exit 0
|
||||||
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
|
|
@ -123,8 +123,7 @@ echo 'setting file access rights...'
|
||||||
for filename in marc$VERSION/tools/run_damask* \
|
for filename in marc$VERSION/tools/run_damask* \
|
||||||
marc$VERSION/tools/comp_damask* \
|
marc$VERSION/tools/comp_damask* \
|
||||||
mentat$VERSION/bin/submit{4..9} \
|
mentat$VERSION/bin/submit{4..9} \
|
||||||
mentat$VERSION/bin/kill{4..9} \
|
mentat$VERSION/bin/kill{4..9} ; do
|
||||||
|
|
||||||
chmod 755 $INSTALLDIR/${filename}
|
chmod 755 $INSTALLDIR/${filename}
|
||||||
done
|
done
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,424 @@
|
||||||
|
! common block definition file taken from respective MSC.Marc release and reformated to free format
|
||||||
|
!***********************************************************************
|
||||||
|
!
|
||||||
|
! File: concom.cmn
|
||||||
|
!
|
||||||
|
! MSC.Marc include file
|
||||||
|
!
|
||||||
|
integer(pInt) &
|
||||||
|
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
|
||||||
|
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
|
||||||
|
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
|
||||||
|
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
|
||||||
|
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
|
||||||
|
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
|
||||||
|
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
|
||||||
|
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
|
||||||
|
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
|
||||||
|
ncycnt, marmen , idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
|
||||||
|
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
|
||||||
|
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
|
||||||
|
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
|
||||||
|
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
|
||||||
|
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
|
||||||
|
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
|
||||||
|
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
|
||||||
|
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
|
||||||
|
iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror
|
||||||
|
dimension :: ideva(60)
|
||||||
|
integer(pInt) num_concom
|
||||||
|
parameter(num_concom=249)
|
||||||
|
common/marc_concom/&
|
||||||
|
iacous, iasmbl, iautth, ibear, icompl, iconj, icreep, ideva, idyn, idynt,&
|
||||||
|
ielas, ielcma, ielect, iform, ifour, iharm, ihcps, iheat, iheatt, ihresp,&
|
||||||
|
ijoule, ilem, ilnmom, iloren, inc, incext, incsub, ipass, iplres, ipois,&
|
||||||
|
ipoist, irpflo, ismall, ismalt, isoil, ispect, ispnow, istore, iswep, ithcrp,&
|
||||||
|
itherm, iupblg, iupdat, jacflg, jel, jparks, largst, lfond, loadup, loaduq,&
|
||||||
|
lodcor, lovl, lsub, magnet, ncycle, newtnt, newton, noshr, linear, ivscpl,&
|
||||||
|
icrpim, iradrt, ipshft, itshr, iangin, iupmdr, iconjf, jincfl, jpermg, jhour,&
|
||||||
|
isolvr, jritz, jtable, jshell, jdoubl, jform, jcentr, imini, kautth, iautof,&
|
||||||
|
ibukty, iassum, icnstd, icnstt, kmakmas, imethvp, iradrte, iradrtp, iupdate, iupdatp,&
|
||||||
|
ncycnt, marmen, idynme, ihavca, ispf, kmini, imixex, largtt, kdoela, iautofg,&
|
||||||
|
ipshftp, idntrc, ipore, jtablm, jtablc, isnecma, itrnspo, imsdif, jtrnspo, mcnear,&
|
||||||
|
imech, imecht, ielcmat, ielectt, magnett, imsdift, noplas, jtabls, jactch, jtablth,&
|
||||||
|
kgmsto , jpzo, ifricsh, iremkin, iremfor, ishearp, jspf, machining, jlshell, icompsol,&
|
||||||
|
iupblgfo, jcondir, nstcrp, nactive, ipassref, nstspnt, ibeart, icheckmpc, noline, icuring,&
|
||||||
|
ishrink, ioffsflg, isetoff, ioffsetm,iharmt, inc_incdat, iautspc, ibrake, icbush, istream_input,&
|
||||||
|
iprsinp, ivlsinp, ifirst_time,ipin_m, jgnstr_glb, imarc_return,iqvcinp, nqvceid, istpnx, imicro1,&
|
||||||
|
iaxisymm, jbreakglue,iglstif, jfastasm,iwear, iwearcf, imixmeth, ielcmadyn, idinout, igena_meth,&
|
||||||
|
magf_meth, non_assumed, iredoboudry, ioffsz0,icomplt, mesh_dual, iactrp, mgnewton, iusedens,igsigd0,&
|
||||||
|
iaem, icosim, inodels, nlharm, iampini, iphasetr, inonlcl, inonlct, iforminp,ispecerror
|
||||||
|
!
|
||||||
|
! comments of variables:
|
||||||
|
!
|
||||||
|
! iacous Control flag for acoustic analysis. Input data.
|
||||||
|
! iacous=1 modal acoustic analysis.
|
||||||
|
! iacous=2 harmonic acoustic-structural analysis.
|
||||||
|
! iasmbl Control flag to indicate that operator matrix should be
|
||||||
|
! recalculated.
|
||||||
|
! iautth Control flag for AUTO THERM option.
|
||||||
|
! ibear Control flag for bearing analysis. Input data.
|
||||||
|
! icompl Control variable to indicate that a complex analysis is
|
||||||
|
! being performed. Either a Harmonic analysis with damping,
|
||||||
|
! or a harmonic electro-magnetic analysis. Input data.
|
||||||
|
! iconj Flag for EBE conjugate gradient solver (=solver 1, retired)
|
||||||
|
! Also used for VKI iterative solver.
|
||||||
|
! icreep Control flag for creep analysis. Input data.
|
||||||
|
! ideva(60) - debug print out flag
|
||||||
|
! 1 print element stiffness matrices, mass matrix
|
||||||
|
! 2 output matrices used in tying
|
||||||
|
! 3 force the solution of a nonpositive definite matrix
|
||||||
|
! 4 print info of connections to each node
|
||||||
|
! 5 info of gap convergence, internal heat generated, contact
|
||||||
|
! touching and separation
|
||||||
|
! 6 nodal value array during rezoning
|
||||||
|
! 7 tying info in CONRAD GAP option, fluid element numbers in
|
||||||
|
! CHANNEL option
|
||||||
|
! 8 output incremental displacements in local coord. system
|
||||||
|
! 9 latent heat output
|
||||||
|
! 10 stress-strain in local coord. system
|
||||||
|
! 11 additional info on interlaminar stress
|
||||||
|
! 12 output right hand side and solution vector
|
||||||
|
! 13 info of CPU resources used and memory available on NT
|
||||||
|
! 14 info of mesh adaption process, 2D outline information
|
||||||
|
! info of penetration checking for remeshing
|
||||||
|
! save .fem files after afmesh3d meshing
|
||||||
|
! 15 surface energy balance flag
|
||||||
|
! 16 print info regarding pyrolysis
|
||||||
|
! 17 print info of "streamline topology"
|
||||||
|
! 18 print mesh data changes after remeshing
|
||||||
|
! 19 print material flow stress data read in from *.mat file
|
||||||
|
! if unit flag is on, print out flow stress after conversion
|
||||||
|
! 20 print information on table input
|
||||||
|
! 21 print out information regarding kinematic boundary conditions
|
||||||
|
! 22 print out information regarding dist loads, point loads, film
|
||||||
|
! and foundations
|
||||||
|
! 23 print out information about automatic domain decomposition
|
||||||
|
! 24 print out iteration information in SuperForm status report file
|
||||||
|
! 25 print out information for ablation
|
||||||
|
! 26 print out information for films - Table input
|
||||||
|
! 27 print out the tying forces
|
||||||
|
! 28 print out for CASI solver, convection,
|
||||||
|
! 29 DDM single file debug printout
|
||||||
|
! 30 print out cavity debug info
|
||||||
|
! 31 print out welding related info
|
||||||
|
! 32 prints categorized DDM memory usage
|
||||||
|
! 33 print out the cutting info regarding machining feature
|
||||||
|
! 34 print out the list of quantities which can be defined via a table
|
||||||
|
! and for each quantity the supported independent variables
|
||||||
|
! 35 print out detailed coupling region info
|
||||||
|
! 36 print out solver debug info level 1 (Least Detailed)
|
||||||
|
! 37 print out solver debug info level 1 (Medium Detailed)
|
||||||
|
! 38 print out solver debug info level 1 (Very Detailed)
|
||||||
|
! 39 print detailed memory allocation info
|
||||||
|
! 40 print out marc-adams debug info
|
||||||
|
! 41 output rezone mapping post file for debugging
|
||||||
|
! 42 output post file after calling oprofos() for debugging
|
||||||
|
! 43 debug printout for vcct
|
||||||
|
! 44 debug printout for progressive failure
|
||||||
|
! 45 print out automatically generated midside node coordinates (arecrd)
|
||||||
|
! 46 print out message about routine and location, where the ibort is raised (ibort_inc)
|
||||||
|
! 47 print out summary message of element variables on a
|
||||||
|
! group-basis after all the automatic changes have been
|
||||||
|
! made (em_ellibp)
|
||||||
|
! 48 Automatically generate check results based on max and min vals.
|
||||||
|
! These vals are stored in the checkr file, which is inserted
|
||||||
|
! into the *dat file by the generate_check_results script from /marc/tools
|
||||||
|
! 49 Automatically generate check results based on the real calculated values
|
||||||
|
! at the sppecified check result locations.
|
||||||
|
! These vals are stored in the checkr file, which is inserted
|
||||||
|
! into the *dat file by the update_check_results script from /marc/tools
|
||||||
|
! 50 generate a file containing the resistance or capacity matrix;
|
||||||
|
! this file can be used to compare results with a reference file
|
||||||
|
! 51 print out detailed information for segment-to-segment contact
|
||||||
|
! 52 print out detailed relative displacement information
|
||||||
|
! for uniaxial sliding contact
|
||||||
|
! 53 print out detailed sliding direction information for
|
||||||
|
! uniaxial sliding contact
|
||||||
|
! 54 print out detailed information for edges attached to a curve
|
||||||
|
! 55 print information related to viscoelasticity calculations
|
||||||
|
! 56 print out detailed information for element coloring for multithreading
|
||||||
|
! 57 print out extra overheads due to multi-threading.
|
||||||
|
! These overhead includes (i) time and (ii) memory.
|
||||||
|
! The memory report will be summed over all the children.
|
||||||
|
!
|
||||||
|
!
|
||||||
|
! 58 debug output for ELSTO usage
|
||||||
|
!
|
||||||
|
! idyn Control flag for dynamics. Input data.
|
||||||
|
! 1 = eigenvalue extraction and / or modal superposition
|
||||||
|
! 2 = Newmark Beta and Single Step Houbolt (ssh with idynme=1)
|
||||||
|
! 3 = Houbolt
|
||||||
|
! 4 = Central difference
|
||||||
|
! 5 = Newer central difference
|
||||||
|
! idynt Copy of idyn at begining of increment
|
||||||
|
! ielas Control flag for ELASTIC analysis. Input data.
|
||||||
|
! Set by user or automatically turned on by Fourier option.
|
||||||
|
! Implies that each load case is treated separately.
|
||||||
|
! In Adaptive meshing analysis , forces re-analysis until
|
||||||
|
! convergence obtained.
|
||||||
|
! Also seriously misused to indicate no convergence.
|
||||||
|
! = 1 elastic option with fourier analysis
|
||||||
|
! = 2 elastic option without fourier analysis
|
||||||
|
! =-1 no convergence in recycles or max # increments reached
|
||||||
|
! Set to 1 if ELASTIC or SUBSTRUC parameter cards are used,
|
||||||
|
! or if fourier option is used.
|
||||||
|
! Then set to 2 if not fourier analysis.
|
||||||
|
! ielcma Control flag for electromagnetic analysis. Input data.
|
||||||
|
! ielcma = 1 Harmonic formulation
|
||||||
|
! ielcma = 2 Transient formulation
|
||||||
|
! ielect Control flag for electrostatic option. Input data.
|
||||||
|
! iform Control flag indicating that contact will be performed.
|
||||||
|
! ifour Control flag for Fourier analysis.
|
||||||
|
! 0 = Odd and even terms.
|
||||||
|
! 1 = symmetric (cosine) terms
|
||||||
|
! 2 = antisymmetric (sine) terms.
|
||||||
|
! iharm Control flag to indicate that a harmonic analysis will
|
||||||
|
! be performed. May change between passes.
|
||||||
|
! ihcps Control flag for coupled thermal - stress analysis.
|
||||||
|
! iheat Control flag for heat transfer analysis. Input data.
|
||||||
|
! iheatt Permanent control flag for heat transfer analysis.
|
||||||
|
! Note in coupled analysis iheatt will remain as one,
|
||||||
|
! but iheat will be zero in stress pass.
|
||||||
|
! ihresp Control flag to indicate to perform a harmonic subincrement.
|
||||||
|
! ijoule Control flag for Joule heating.
|
||||||
|
! ilem Control flag to determin which vector is to be transformed.
|
||||||
|
! Control flag to see where one is:
|
||||||
|
! ilem = 1 - elem.f
|
||||||
|
! ilem = 2 - initst.f
|
||||||
|
! ilem = 3 - pressr.f
|
||||||
|
! ilem = 3 - fstif.f
|
||||||
|
! ilem = 4 - jflux.f
|
||||||
|
! ilem = 4 - strass.f
|
||||||
|
! ilem = 5 - mass.f
|
||||||
|
! ilem = 5 - osolty.f
|
||||||
|
! ilnmom Control flag for soil - pore pressure calculation. Input data.
|
||||||
|
! ilnmom = 0 - perform only pore pressure calculation.
|
||||||
|
! = 1 - couples pore pressure - displacement analysis
|
||||||
|
! iloren Control flag for DeLorenzi J-Integral evaluation. Input data.
|
||||||
|
! inc Increment number.
|
||||||
|
! incext Control flag indicating that currently working on a
|
||||||
|
! subincrement.
|
||||||
|
! Could be due to harmonics , damping component (bearing),
|
||||||
|
! stiffness component (bearing), auto therm creep or
|
||||||
|
! old viscoplaticity
|
||||||
|
! incsub Sub-increment number.
|
||||||
|
! ipass Control flag for which part of coupled analysis.
|
||||||
|
! ipass = -1 - reset to base values
|
||||||
|
! ipass = 0 - do nothing
|
||||||
|
! ipass = 1 - stress part
|
||||||
|
! ipass = 2 - heat transfer part
|
||||||
|
! iplres Flag indicating that either second matrix is stored.
|
||||||
|
! dynamic analysis - mass matrix
|
||||||
|
! heat transfer - specific heat matrix
|
||||||
|
! buckle - initial stress stiffness
|
||||||
|
! ipois Control flag indicating Poisson type analysis
|
||||||
|
! ipois = 1 for heat transfer
|
||||||
|
! = 1 for heat transfer part of coupled
|
||||||
|
! = 1 for bearing
|
||||||
|
! = 1 for electrostatic
|
||||||
|
! = 1 for magnetostatic
|
||||||
|
! ipoist Permanent copy of ipois. In coupled analysis , ipois = 0
|
||||||
|
! in stress portion, yet ipoist will still =1.
|
||||||
|
! irpflo global flag for rigid plastic flow analysis
|
||||||
|
! = 1 eularian formulation
|
||||||
|
! = 2 regular formulation; rigid material present in the analysis
|
||||||
|
|
||||||
|
! ismall control flag to indicate small displacement analysis. input data.
|
||||||
|
! ismall = 0 - large disp included.
|
||||||
|
! ismall = 1 - small displacement.
|
||||||
|
! the flag is changing between passes.
|
||||||
|
! ismalt permanent copy of ismall . in heat transfer portion of
|
||||||
|
! coupled analysis ismall =0 , but ismalt remains the same.
|
||||||
|
! isoil control flag indicating that soil / pore pressure
|
||||||
|
! calculation . input data.
|
||||||
|
! ispect control flag for response spectrum calculation. input data.
|
||||||
|
! ispnow control flag to indicate to perform a spectrum response
|
||||||
|
! calculation now.
|
||||||
|
! istore store stresses flag.
|
||||||
|
! istore = 0 in elem.f and if first pass of creep
|
||||||
|
! convergence checking in ogetst.f
|
||||||
|
! or harmonic analysis or thruc.f if not
|
||||||
|
! converged.
|
||||||
|
! iswep control flag for eigenvalue analysis.
|
||||||
|
! iswep=1 - go do extraction process
|
||||||
|
! ithcrp control flag for auto therm creep option. input data.
|
||||||
|
! itherm control flag for either temperature dependent material
|
||||||
|
! properties and/or thermal loads.
|
||||||
|
! iupblg control flag for follower force option. input data.
|
||||||
|
! iupdat control flag for update lagrange option for current element.
|
||||||
|
! jacflg control flag for lanczos iteration method. input data.
|
||||||
|
! jel control flag indicating that total load applied in
|
||||||
|
! increment, ignore previous solution.
|
||||||
|
! jel = 1 in increment 0
|
||||||
|
! = 1 if elastic or fourier
|
||||||
|
! = 1 in subincrements with elastic and adaptive
|
||||||
|
! jparks control flag for j integral by parks method. input data.
|
||||||
|
! largst control flag for finite strain plasticity. input data.
|
||||||
|
! lfond control variable that indicates if doing elastic
|
||||||
|
! foundation or film calculation. influences whether
|
||||||
|
! this is volumetric or surface integration.
|
||||||
|
! loadup control flag that indicates that nonlinearity occurred
|
||||||
|
! during previous increment.
|
||||||
|
! loaduq control flag that indicates that nonlinearity occurred.
|
||||||
|
! lodcor control flag for switching on the residual load correction.
|
||||||
|
! notice in input stage lodcor=0 means no loadcor,
|
||||||
|
! after omarc lodcor=1 means no loadcor
|
||||||
|
! lovl control flag for determining which "overlay" is to
|
||||||
|
! be called from ellib.
|
||||||
|
! lovl = 1 omarc
|
||||||
|
! = 2 oaread
|
||||||
|
! = 3 opress
|
||||||
|
! = 4 oasemb
|
||||||
|
! = 5 osolty
|
||||||
|
! = 6 ogetst
|
||||||
|
! = 7 oscinc
|
||||||
|
! = 8 odynam
|
||||||
|
! = 9 opmesh
|
||||||
|
! = 10 omesh2
|
||||||
|
! = 11 osetz
|
||||||
|
! = 12 oass
|
||||||
|
! = 13 oincdt
|
||||||
|
! = 14 oasmas
|
||||||
|
! = 15 ofluas
|
||||||
|
! = 16 ofluso
|
||||||
|
! = 17 oshtra
|
||||||
|
! = 18 ocass
|
||||||
|
! = 19 osoltc
|
||||||
|
! = 20 orezon
|
||||||
|
! = 21 otest
|
||||||
|
! = 22 oeigen
|
||||||
|
! lsub control variable to determine which part of element
|
||||||
|
! assembly function is being done.
|
||||||
|
! lsub = 1 - no longer used
|
||||||
|
! = 2 - beta*
|
||||||
|
! = 3 - cons*
|
||||||
|
! = 4 - ldef*
|
||||||
|
! = 5 - posw*
|
||||||
|
! = 6 - theta*
|
||||||
|
! = 7 - tmarx*
|
||||||
|
! = 8 - geom*
|
||||||
|
! magnet control flag for magnetostatic analysis. input data.
|
||||||
|
! ncycle cycle number. accumulated in osolty.f
|
||||||
|
! note first time through oasemb.f , ncycle = 0.
|
||||||
|
! newtnt control flag for permanent copy of newton.
|
||||||
|
! newton iteration type. input data.
|
||||||
|
! newton : = 1 full newton raphson
|
||||||
|
! 2 modified newton raphson
|
||||||
|
! 3 newton raphson with strain correct.
|
||||||
|
! 4 direct substitution
|
||||||
|
! 5 direct substitution followed by n.r.
|
||||||
|
! 6 direct substitution with line search
|
||||||
|
! 7 full newton raphson with secant initial stress
|
||||||
|
! 8 secant method
|
||||||
|
! 9 full newton raphson with line search
|
||||||
|
! noshr control flag for calculation interlaminar shears for
|
||||||
|
! elements 22,45, and 75. input data.
|
||||||
|
!ees
|
||||||
|
!
|
||||||
|
! jactch = 1 or 2 if elements are activated or deactivated
|
||||||
|
! = 3 if elements are adaptively remeshed or rezoned
|
||||||
|
! = 0 normally / reset to 0 when assembly is done
|
||||||
|
! ifricsh = 0 call to fricsh in otest not needed
|
||||||
|
! = 1 call to fricsh (nodal friction) in otest needed
|
||||||
|
! iremkin = 0 remove deactivated kinematic boundary conditions
|
||||||
|
! immediately - only in new input format (this is default)
|
||||||
|
! = 1 remove deactivated kinematic boundary conditions
|
||||||
|
! gradually - only in new input format
|
||||||
|
! iremfor = 0 remove force boundary conditions immediately -
|
||||||
|
! only in new input format (this is default)
|
||||||
|
! = 1 remove force boundary conditions gradually -
|
||||||
|
! only in new input format (this is default)
|
||||||
|
! ishearp set to 1 if shear panel elements are present in the model
|
||||||
|
!
|
||||||
|
! jspf = 0 not in spf loadcase
|
||||||
|
! > 0 in spf loadcase (jspf=1 during first increment)
|
||||||
|
! machining = 1 if the metal cutting feature is used, for memory allocation purpose
|
||||||
|
! = 0 (default) if no metal cutting feature required
|
||||||
|
!
|
||||||
|
! jlshell = 1 if there is a shell element in the mesh
|
||||||
|
! icompsol = 1 if there is a composite solid element in the mesh
|
||||||
|
! iupblgfo = 1 if follower force for point loads
|
||||||
|
! jcondir = 1 if contact priority option is used
|
||||||
|
! nstcrp = 0 (default) steady state creep flag (undocumented feature.
|
||||||
|
! if not 0, turns off special ncycle = 0 code in radial.f)
|
||||||
|
! nactive = number of active passes, if =1 then it's not a coupled analysis
|
||||||
|
! ipassref = reference ipass, if not in a multiphysics pass ipass=ipassref
|
||||||
|
! icheckmpc = value of mpc-check parameter option
|
||||||
|
! noline = set to 1 in osolty if no line seacrh should be done in ogetst
|
||||||
|
! icuring = set to 1 if the curing is included for the heat transfer analysis.
|
||||||
|
! ishrink = set to 1 if shrinkage strain is included for mechancial analysis.
|
||||||
|
! ioffsflg = 1 for small displacement beam/shell offsets
|
||||||
|
! = 2 for large displacement beam/shell offsets
|
||||||
|
! isetoff = 0 - do not apply beam/shell offsets
|
||||||
|
! = 1 - apply beam/shell offsets
|
||||||
|
! ioffsetm = min. value of offset flag
|
||||||
|
! iharmt = 1 global flag if a coupled analysis contains an harmonic pass
|
||||||
|
! inc_incdat = flag to record increment number of a new loadcase in incdat.f
|
||||||
|
! iautspc = flag for AutoSPC option
|
||||||
|
! ibrake = brake squeal in this increment
|
||||||
|
! icbush = set to 1 if cbush elements present in model
|
||||||
|
! istream_input = set to 1 for streaming input calling Marc as library
|
||||||
|
! iprsinp = set to 1 if pressure input, introduced so other variables
|
||||||
|
! such as h could be a function of pressure
|
||||||
|
! ivlsinp = set to 1 if velocity input, introduced so other variables
|
||||||
|
! such as h could be a function of velocity
|
||||||
|
! ipin_m = # of beam element with PIN flag
|
||||||
|
! jgnstr_glb = global control over pre or fast integrated composite shells
|
||||||
|
! imarc_return = Marc return flag for streaming input control
|
||||||
|
! iqvcimp = if non-zero, then the number of QVECT boundary conditions
|
||||||
|
! nqvceid = number of QVECT boundary conditions, where emisivity/absorbtion id entered
|
||||||
|
! istpnx = 1 if to stop at end of increment
|
||||||
|
! imicro1 = 1 if micro1 interface is used
|
||||||
|
! iaxisymm = set to 1 if axisymmetric analysis
|
||||||
|
! jbreakglue = set to 1 if breaking glued option is used
|
||||||
|
! iglstif = 1 if ddm and global stiffness matrix formed (sgi solver 6 or solver9)
|
||||||
|
! jfastasm = 1 do fast assembly using SuperForm code
|
||||||
|
! iwear = set to 1 if wear model, set to 2 if wear model and coordinates updated
|
||||||
|
! iwearcf = set to 1 to store nodal coefficient of friction for wear calculation
|
||||||
|
! imixmeth = set=1 then use nonlinear mixture material - allocate memory
|
||||||
|
! ielcmadyn = flag for magnetodynamics
|
||||||
|
! 0 - electromagnetics using newmark beta
|
||||||
|
! 1 - transient magnetics using backward euler
|
||||||
|
! idinout = flag to control if inside out elements should be deactivated
|
||||||
|
! igena_meth = 0 - generalized alpha parameters depend on whether or not contact
|
||||||
|
! is flagged (dynamic,7)
|
||||||
|
! 10 - generalized alpha parameters are optimized for a contact
|
||||||
|
! analysis (dynamic,8)
|
||||||
|
! 11 - generalized alpha parameters are optimized for an analysis
|
||||||
|
! without contact (dynamic,8)
|
||||||
|
! magf_meth = - Method to compute force in magnetostatic - structural
|
||||||
|
! = 1 - Virtual work method based on finite difference for the force computation
|
||||||
|
! = 2 - Maxwell stress tensor
|
||||||
|
! = 3 - Virtual work method based on local derivative for the force computation
|
||||||
|
! non_assumed = 1 no assumed strain formulation (forced)
|
||||||
|
! iredoboudry set to 1 if contact boundary needs to be recalculated
|
||||||
|
! ioffsz0 = 1 if composite are used with reference position.ne.0
|
||||||
|
! icomplt = 1 global flag if a coupled analysis contains an complex pass
|
||||||
|
! mesh_dual = 1 two independent meshes are used in magnetodynamic/thermal/structural
|
||||||
|
! one for magnetodynamic and the other for the remaining passes
|
||||||
|
! iactrp = 1 in an analysis with global remeshing, include inactive
|
||||||
|
! rigid bodies on post file
|
||||||
|
! mgnewton = 1 Use full Newton Raphson iteration for magnetostatic pass
|
||||||
|
!
|
||||||
|
! iusedens > 0 if mass density is used in the analysis (dynamics, mass dependent loading)
|
||||||
|
! igsigd0 = 1 set varselem(igsigd) to zero in next oasemb
|
||||||
|
! iaem = 1 if marc is called from aem (0 - off - default)
|
||||||
|
! icosim = 1 if marc is used in co-simulation software (ADAMS-MARC)
|
||||||
|
! inodels = 1 nodal integration elements 239/240/241 present
|
||||||
|
! nlharm = 0 harmonic subincrements are linear
|
||||||
|
! = 1 harmonic subincrements are nonlinear
|
||||||
|
! iampini = 0 amplitude of previous harmonic subinc is initial estimate (default)
|
||||||
|
! = 1 zero amplitude is initial estimate
|
||||||
|
! iphasetr = 1 phase transformation material model is used
|
||||||
|
! iforminp flag indicating that contact is switched on via the CONTACT
|
||||||
|
! option in the input file (as opposed to the case that contact
|
||||||
|
! is switched on internally due to cyclic symmetry or model
|
||||||
|
! section creation)
|
||||||
|
! ispecerror = a+10*b (only for spectrum response analysis with missing mass option)
|
||||||
|
! a=0 or a=1 (modal shape with non-zero shift)
|
||||||
|
! b=0 or b=1 (recover with new assembly of stiffness matrix)
|
||||||
|
!
|
||||||
|
!***********************************************************************
|
||||||
|
!$omp threadprivate(/marc_concom/)
|
||||||
|
!!
|
||||||
|
|
@ -0,0 +1,66 @@
|
||||||
|
! common block definition file taken from respective MSC.Marc release and reformated to free format
|
||||||
|
!***********************************************************************
|
||||||
|
!
|
||||||
|
! File: creeps.cmn
|
||||||
|
!
|
||||||
|
! MSC.Marc include file
|
||||||
|
!
|
||||||
|
real(pReal) cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b
|
||||||
|
integer(pInt) icfte,icfst,icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,&
|
||||||
|
icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
|
||||||
|
real(pReal) time_beg_lcase,time_beg_inc,fractol,time_beg_pst
|
||||||
|
real(pReal) fraction_donn,timinc_ol2
|
||||||
|
!
|
||||||
|
integer(pInt) num_creepsr,num_creepsi,num_creeps2r
|
||||||
|
parameter(num_creepsr=7)
|
||||||
|
parameter(num_creepsi=17)
|
||||||
|
parameter(num_creeps2r=6)
|
||||||
|
common/marc_creeps/cptim,timinc,timinc_p,timinc_s,timincm,timinc_a,timinc_b,icfte,icfst,&
|
||||||
|
icfeq,icftm,icetem,mcreep,jcreep,icpa,icftmp,icfstr,icfqcp,icfcpm,icrppr,icrcha,icpb,iicpmt,iicpa
|
||||||
|
common/marc_creeps2/time_beg_lcase,time_beg_inc,fractol,time_beg_pst,fraction_donn,timinc_ol2
|
||||||
|
!
|
||||||
|
! cptim Total time at begining of increment.
|
||||||
|
! timinc Incremental time for this step.
|
||||||
|
! icfte Local copy number of slopes of creep strain rate function
|
||||||
|
! versus temperature. Is -1 if exponent law used.
|
||||||
|
! icfst Local copy number of slopes of creep strain rate function
|
||||||
|
! versus equivalent stress. Is -1 if exponent law used.
|
||||||
|
! icfeq Local copy number of slopes of creep strain rate function
|
||||||
|
! versus equivalent strain. Is -1 if exponent law used.
|
||||||
|
! icftm Local copy number of slopes of creep strain rate function
|
||||||
|
! versus time. Is -1 if exponent law used.
|
||||||
|
! icetem Element number that needs to be checked for creep convergence
|
||||||
|
! or, if negative, the number of elements that need to
|
||||||
|
! be checked. In the latter case the elements to check
|
||||||
|
! are stored in ielcp.
|
||||||
|
! mcreep Maximum nuber of iterations for explicit creep.
|
||||||
|
! jcreep Counter of number of iterations for explicit creep
|
||||||
|
! procedure. jcreep must be .le. mcreep
|
||||||
|
! icpa Pointer to constant in creep strain rate expression.
|
||||||
|
! icftmp Pointer to temperature dependent creep strain rate data.
|
||||||
|
! icfstr Pointer to equivalent stress dependent creep strain rate data.
|
||||||
|
! icfqcp Pointer to equivalent creep strain dependent creep strain
|
||||||
|
! rate data.
|
||||||
|
! icfcpm Pointer to equivalent creep strain rate dependent
|
||||||
|
! creep strain rate data.
|
||||||
|
! icrppr Permanent copy of icreep
|
||||||
|
! icrcha Control flag for creep convergence checking , if set to
|
||||||
|
! 1 then testing on absolute change in stress and creep
|
||||||
|
! strain, not relative testing. Input data.
|
||||||
|
! icpb Pointer to storage of material id cross reference numbers.
|
||||||
|
! iicpmt
|
||||||
|
! iicpa Pointer to constant in creep strain rate expression
|
||||||
|
!
|
||||||
|
! time_beg_lcase time at the beginning of the current load case
|
||||||
|
! time_beg_inc time at the beginning of the current increment
|
||||||
|
! fractol fraction of loadcase or increment time when we
|
||||||
|
! consider it to be finished
|
||||||
|
! time_beg_pst time corresponding to first increment to be
|
||||||
|
! read in from thermal post file for auto step
|
||||||
|
!
|
||||||
|
! timinc_old Time step of the previous increment
|
||||||
|
!
|
||||||
|
!***********************************************************************
|
||||||
|
!!$omp threadprivate(/marc_creeps/)
|
||||||
|
!!$omp threadprivate(/marc_creeps2/)
|
||||||
|
!!
|
||||||
|
|
@ -14,12 +14,6 @@ except(NameError):
|
||||||
class ASCIItable():
|
class ASCIItable():
|
||||||
"""Read and write to ASCII tables"""
|
"""Read and write to ASCII tables"""
|
||||||
|
|
||||||
__slots__ = ['__IO__',
|
|
||||||
'info',
|
|
||||||
'labeled',
|
|
||||||
'data',
|
|
||||||
]
|
|
||||||
|
|
||||||
tmpext = '_tmp' # filename extension for in-place access
|
tmpext = '_tmp' # filename extension for in-place access
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
|
|
@ -370,48 +364,29 @@ class ASCIItable():
|
||||||
"""
|
"""
|
||||||
from collections import Iterable
|
from collections import Iterable
|
||||||
|
|
||||||
if isinstance(labels, Iterable) and not isinstance(labels, str): # check whether list of labels is requested
|
listOfLabels = isinstance(labels, Iterable) and not isinstance(labels, str) # check whether list of labels is requested
|
||||||
dim = []
|
if not listOfLabels: labels = [labels]
|
||||||
for label in labels:
|
|
||||||
if label is not None:
|
|
||||||
myDim = -1
|
|
||||||
try: # column given as number?
|
|
||||||
idx = int(label)-1
|
|
||||||
myDim = 1 # if found has at least dimension 1
|
|
||||||
if self.tags[idx].startswith('1_'): # column has multidim indicator?
|
|
||||||
while idx+myDim < len(self.tags) and self.tags[idx+myDim].startswith("%i_"%(myDim+1)):
|
|
||||||
myDim += 1 # add while found
|
|
||||||
except ValueError: # column has string label
|
|
||||||
label = label[1:-1] if label[0] == label[-1] and label[0] in ('"',"'") else label # remove outermost quotations
|
|
||||||
if label in self.tags: # can be directly found?
|
|
||||||
myDim = 1 # scalar by definition
|
|
||||||
elif '1_'+label in self.tags: # look for first entry of possible multidim object
|
|
||||||
idx = self.tags.index('1_'+label) # get starting column
|
|
||||||
myDim = 1 # (at least) one-dimensional
|
|
||||||
while idx+myDim < len(self.tags) and self.tags[idx+myDim].startswith("%i_"%(myDim+1)):
|
|
||||||
myDim += 1 # keep adding while going through object
|
|
||||||
|
|
||||||
dim.append(myDim)
|
dim = []
|
||||||
else:
|
for label in labels:
|
||||||
dim = -1 # assume invalid label
|
if label is not None:
|
||||||
idx = -1
|
myDim = -1
|
||||||
try: # column given as number?
|
try: # column given as number?
|
||||||
idx = int(labels)-1
|
idx = int(label)-1
|
||||||
dim = 1 # if found has at least dimension 1
|
myDim = 1 # if found treat as single column of dimension 1
|
||||||
if self.tags[idx].startswith('1_'): # column has multidim indicator?
|
except ValueError: # column has string label
|
||||||
while idx+dim < len(self.tags) and self.tags[idx+dim].startswith("%i_"%(dim+1)):
|
label = label[1:-1] if label[0] == label[-1] and label[0] in ('"',"'") else label # remove outermost quotations
|
||||||
dim += 1 # add as long as found
|
if label in self.tags: # can be directly found?
|
||||||
except ValueError: # column has string label
|
myDim = 1 # scalar by definition
|
||||||
labels = labels[1:-1] if labels[0] == labels[-1] and labels[0] in ('"',"'") else labels # remove outermost quotations
|
elif '1_'+label in self.tags: # look for first entry of possible multidim object
|
||||||
if labels in self.tags: # can be directly found?
|
idx = self.tags.index('1_'+label) # get starting column
|
||||||
dim = 1 # scalar by definition
|
myDim = 1 # (at least) one-dimensional
|
||||||
elif '1_'+labels in self.tags: # look for first entry of possible multidim object
|
while idx+myDim < len(self.tags) and self.tags[idx+myDim].startswith("%i_"%(myDim+1)):
|
||||||
idx = self.tags.index('1_'+labels) # get starting column
|
myDim += 1 # keep adding while going through object
|
||||||
dim = 1 # is (at least) one-dimensional
|
|
||||||
while idx+dim < len(self.tags) and self.tags[idx+dim].startswith("%i_"%(dim+1)):
|
|
||||||
dim += 1 # keep adding while going through object
|
|
||||||
|
|
||||||
return np.array(dim) if isinstance(dim,Iterable) else dim
|
dim.append(myDim)
|
||||||
|
|
||||||
|
return np.array(dim) if listOfLabels else dim[0]
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def label_indexrange(self,
|
def label_indexrange(self,
|
||||||
|
|
@ -517,7 +492,7 @@ class ASCIItable():
|
||||||
(d if str(c) != str(labels[present[i]]) else
|
(d if str(c) != str(labels[present[i]]) else
|
||||||
1)))
|
1)))
|
||||||
use = np.array(columns) if len(columns) > 0 else None
|
use = np.array(columns) if len(columns) > 0 else None
|
||||||
|
|
||||||
self.tags = list(np.array(self.tags)[use]) # update labels with valid subset
|
self.tags = list(np.array(self.tags)[use]) # update labels with valid subset
|
||||||
|
|
||||||
self.data = np.loadtxt(self.__IO__['in'],usecols=use,ndmin=2)
|
self.data = np.loadtxt(self.__IO__['in'],usecols=use,ndmin=2)
|
||||||
|
|
|
||||||
|
|
@ -9,28 +9,29 @@ class Color():
|
||||||
Conversion of colors between different color-spaces.
|
Conversion of colors between different color-spaces.
|
||||||
|
|
||||||
Colors should be given in the form Color('model',[vector]).
|
Colors should be given in the form Color('model',[vector]).
|
||||||
To convert or copy color from one space to other, use the methods
|
To convert or copy color from one space to other, use the methods
|
||||||
convertTo('model') or expressAs('model'), respectively.
|
convertTo('model') or expressAs('model'), respectively.
|
||||||
"""
|
"""
|
||||||
|
|
||||||
__slots__ = [
|
__slots__ = [
|
||||||
'model',
|
'model',
|
||||||
'color',
|
'color',
|
||||||
'__dict__',
|
'__dict__',
|
||||||
]
|
]
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def __init__(self,
|
def __init__(self,
|
||||||
model = 'RGB',
|
model = 'RGB',
|
||||||
color = np.zeros(3,'d')):
|
color = np.zeros(3,'d')):
|
||||||
|
|
||||||
self.__transforms__ = \
|
self.__transforms__ = \
|
||||||
{'HSL': {'index': 0, 'next': self._HSL2RGB},
|
{'HSV': {'index': 0, 'next': self._HSV2HSL},
|
||||||
'RGB': {'index': 1, 'next': self._RGB2XYZ, 'prev': self._RGB2HSL},
|
'HSL': {'index': 1, 'next': self._HSL2RGB, 'prev': self._HSL2HSV},
|
||||||
'XYZ': {'index': 2, 'next': self._XYZ2CIELAB, 'prev': self._XYZ2RGB},
|
'RGB': {'index': 2, 'next': self._RGB2XYZ, 'prev': self._RGB2HSL},
|
||||||
'CIELAB': {'index': 3, 'next': self._CIELAB2MSH, 'prev': self._CIELAB2XYZ},
|
'XYZ': {'index': 3, 'next': self._XYZ2CIELAB, 'prev': self._XYZ2RGB},
|
||||||
'MSH': {'index': 4, 'prev': self._MSH2CIELAB},
|
'CIELAB': {'index': 4, 'next': self._CIELAB2MSH, 'prev': self._CIELAB2XYZ},
|
||||||
|
'MSH': {'index': 5, 'prev': self._MSH2CIELAB},
|
||||||
}
|
}
|
||||||
|
|
||||||
model = model.upper()
|
model = model.upper()
|
||||||
|
|
@ -46,24 +47,24 @@ class Color():
|
||||||
|
|
||||||
self.model = model
|
self.model = model
|
||||||
self.color = np.array(color,'d')
|
self.color = np.array(color,'d')
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def __repr__(self):
|
def __repr__(self):
|
||||||
"""Color model and values"""
|
"""Color model and values"""
|
||||||
return 'Model: %s Color: %s'%(self.model,str(self.color))
|
return 'Model: %s Color: %s'%(self.model,str(self.color))
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def __str__(self):
|
def __str__(self):
|
||||||
"""Color model and values"""
|
"""Color model and values"""
|
||||||
return self.__repr__()
|
return self.__repr__()
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def convertTo(self,toModel = 'RGB'):
|
def convertTo(self,toModel = 'RGB'):
|
||||||
toModel = toModel.upper()
|
toModel = toModel.upper()
|
||||||
if toModel not in list(self.__transforms__.keys()): return
|
if toModel not in list(self.__transforms__.keys()): return
|
||||||
|
|
||||||
sourcePos = self.__transforms__[self.model]['index']
|
sourcePos = self.__transforms__[self.model]['index']
|
||||||
targetPos = self.__transforms__[toModel]['index']
|
targetPos = self.__transforms__[toModel]['index']
|
||||||
|
|
@ -76,23 +77,62 @@ class Color():
|
||||||
self.__transforms__[self.model]['prev']()
|
self.__transforms__[self.model]['prev']()
|
||||||
sourcePos -= 1
|
sourcePos -= 1
|
||||||
return self
|
return self
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def expressAs(self,asModel = 'RGB'):
|
def expressAs(self,asModel = 'RGB'):
|
||||||
return self.__class__(self.model,self.color).convertTo(asModel)
|
return self.__class__(self.model,self.color).convertTo(asModel)
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
def _HSV2HSL(self):
|
||||||
|
"""
|
||||||
|
Convert H(ue) S(aturation) V(alue or brightness) to H(ue) S(aturation) L(uminance)
|
||||||
|
|
||||||
|
with all values in the range of 0 to 1
|
||||||
|
http://codeitdown.com/hsl-hsb-hsv-color/
|
||||||
|
"""
|
||||||
|
if self.model != 'HSV': return
|
||||||
|
|
||||||
|
converted = Color('HSL',np.array([
|
||||||
|
self.color[0],
|
||||||
|
1. if self.color[2] == 0.0 or (self.color[1] == 0.0 and self.color[2] == 1.0) \
|
||||||
|
else self.color[1]*self.color[2]/(1.-abs(self.color[2]*(2.-self.color[1])-1.)),
|
||||||
|
0.5*self.color[2]*(2.-self.color[1]),
|
||||||
|
]))
|
||||||
|
|
||||||
|
self.model = converted.model
|
||||||
|
self.color = converted.color
|
||||||
|
|
||||||
|
|
||||||
|
def _HSL2HSV(self):
|
||||||
|
"""
|
||||||
|
Convert H(ue) S(aturation) L(uminance) to H(ue) S(aturation) V(alue or brightness)
|
||||||
|
|
||||||
|
with all values in the range of 0 to 1
|
||||||
|
http://codeitdown.com/hsl-hsb-hsv-color/
|
||||||
|
"""
|
||||||
|
if self.model != 'HSL': return
|
||||||
|
|
||||||
|
h = self.color[0]
|
||||||
|
b = self.color[2]+0.5*(self.color[1]*(1.-abs(2*self.color[2]-1)))
|
||||||
|
s = 1.0 if b == 0.0 else 2.*(b-self.color[2])/b
|
||||||
|
|
||||||
|
converted = Color('HSV',np.array([h,s,b]))
|
||||||
|
|
||||||
|
self.model = converted.model
|
||||||
|
self.color = converted.color
|
||||||
|
|
||||||
|
|
||||||
def _HSL2RGB(self):
|
def _HSL2RGB(self):
|
||||||
"""
|
"""
|
||||||
Convert H(ue) S(aturation) L(uminance) to R(red) G(reen) B(lue)
|
Convert H(ue) S(aturation) L(uminance) to R(red) G(reen) B(lue)
|
||||||
|
|
||||||
with all values in the range of 0 to 1
|
with all values in the range of 0 to 1
|
||||||
from http://en.wikipedia.org/wiki/HSL_and_HSV
|
from http://en.wikipedia.org/wiki/HSL_and_HSV
|
||||||
"""
|
"""
|
||||||
if self.model != 'HSL': return
|
if self.model != 'HSL': return
|
||||||
|
|
||||||
sextant = self.color[0]*6.0
|
sextant = self.color[0]*6.0
|
||||||
c = (1.0 - abs(2.0 * self.color[2] - 1.0))*self.color[1]
|
c = (1.0 - abs(2.0 * self.color[2] - 1.0))*self.color[1]
|
||||||
x = c*(1.0 - abs(sextant%2 - 1.0))
|
x = c*(1.0 - abs(sextant%2 - 1.0))
|
||||||
|
|
@ -108,15 +148,15 @@ class Color():
|
||||||
][int(sextant)],'d'))
|
][int(sextant)],'d'))
|
||||||
self.model = converted.model
|
self.model = converted.model
|
||||||
self.color = converted.color
|
self.color = converted.color
|
||||||
|
|
||||||
|
|
||||||
def _RGB2HSL(self):
|
def _RGB2HSL(self):
|
||||||
"""
|
"""
|
||||||
Convert R(ed) G(reen) B(lue) to H(ue) S(aturation) L(uminance)
|
Convert R(ed) G(reen) B(lue) to H(ue) S(aturation) L(uminance)
|
||||||
|
|
||||||
with all values in the range of 0 to 1
|
with all values in the range of 0 to 1
|
||||||
from http://130.113.54.154/~monger/hsl-rgb.html
|
from http://130.113.54.154/~monger/hsl-rgb.html
|
||||||
"""
|
"""
|
||||||
if self.model != 'RGB': return
|
if self.model != 'RGB': return
|
||||||
|
|
||||||
HSL = np.zeros(3,'d')
|
HSL = np.zeros(3,'d')
|
||||||
|
|
@ -141,43 +181,43 @@ class Color():
|
||||||
if (HSL[0] < 0.0):
|
if (HSL[0] < 0.0):
|
||||||
HSL[0] = HSL[0] + 360.0
|
HSL[0] = HSL[0] + 360.0
|
||||||
for i in range(2):
|
for i in range(2):
|
||||||
HSL[i+1] = min(HSL[i+1],1.0)
|
HSL[i+1] = min(HSL[i+1],1.0)
|
||||||
HSL[i+1] = max(HSL[i+1],0.0)
|
HSL[i+1] = max(HSL[i+1],0.0)
|
||||||
|
|
||||||
converted = Color('HSL', HSL)
|
converted = Color('HSL', HSL)
|
||||||
self.model = converted.model
|
self.model = converted.model
|
||||||
self.color = converted.color
|
self.color = converted.color
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
def _RGB2XYZ(self):
|
def _RGB2XYZ(self):
|
||||||
"""
|
"""
|
||||||
Convert R(ed) G(reen) B(lue) to CIE XYZ
|
Convert R(ed) G(reen) B(lue) to CIE XYZ
|
||||||
|
|
||||||
with all values in the range of 0 to 1
|
with all values in the range of 0 to 1
|
||||||
from http://www.cs.rit.edu/~ncs/color/t_convert.html
|
from http://www.cs.rit.edu/~ncs/color/t_convert.html
|
||||||
"""
|
"""
|
||||||
if self.model != 'RGB': return
|
if self.model != 'RGB': return
|
||||||
|
|
||||||
XYZ = np.zeros(3,'d')
|
XYZ = np.zeros(3,'d')
|
||||||
RGB_lin = np.zeros(3,'d')
|
RGB_lin = np.zeros(3,'d')
|
||||||
convert = np.array([[0.412453,0.357580,0.180423],
|
convert = np.array([[0.412453,0.357580,0.180423],
|
||||||
[0.212671,0.715160,0.072169],
|
[0.212671,0.715160,0.072169],
|
||||||
[0.019334,0.119193,0.950227]])
|
[0.019334,0.119193,0.950227]])
|
||||||
|
|
||||||
for i in range(3):
|
for i in range(3):
|
||||||
if (self.color[i] > 0.04045): RGB_lin[i] = ((self.color[i]+0.0555)/1.0555)**2.4
|
if (self.color[i] > 0.04045): RGB_lin[i] = ((self.color[i]+0.0555)/1.0555)**2.4
|
||||||
else: RGB_lin[i] = self.color[i] /12.92
|
else: RGB_lin[i] = self.color[i] /12.92
|
||||||
XYZ = np.dot(convert,RGB_lin)
|
XYZ = np.dot(convert,RGB_lin)
|
||||||
for i in range(3):
|
for i in range(3):
|
||||||
|
|
||||||
XYZ[i] = max(XYZ[i],0.0)
|
|
||||||
|
|
||||||
converted = Color('XYZ', XYZ)
|
XYZ[i] = max(XYZ[i],0.0)
|
||||||
|
|
||||||
|
converted = Color('XYZ', XYZ)
|
||||||
self.model = converted.model
|
self.model = converted.model
|
||||||
self.color = converted.color
|
self.color = converted.color
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
def _XYZ2RGB(self):
|
def _XYZ2RGB(self):
|
||||||
"""
|
"""
|
||||||
|
|
@ -199,17 +239,17 @@ class Color():
|
||||||
if (RGB_lin[i] > 0.0031308): RGB[i] = ((RGB_lin[i])**(1.0/2.4))*1.0555-0.0555
|
if (RGB_lin[i] > 0.0031308): RGB[i] = ((RGB_lin[i])**(1.0/2.4))*1.0555-0.0555
|
||||||
else: RGB[i] = RGB_lin[i] *12.92
|
else: RGB[i] = RGB_lin[i] *12.92
|
||||||
for i in range(3):
|
for i in range(3):
|
||||||
RGB[i] = min(RGB[i],1.0)
|
RGB[i] = min(RGB[i],1.0)
|
||||||
RGB[i] = max(RGB[i],0.0)
|
RGB[i] = max(RGB[i],0.0)
|
||||||
|
|
||||||
maxVal = max(RGB) # clipping colors according to the display gamut
|
maxVal = max(RGB) # clipping colors according to the display gamut
|
||||||
if (maxVal > 1.0): RGB /= maxVal
|
if (maxVal > 1.0): RGB /= maxVal
|
||||||
|
|
||||||
converted = Color('RGB', RGB)
|
converted = Color('RGB', RGB)
|
||||||
self.model = converted.model
|
self.model = converted.model
|
||||||
self.color = converted.color
|
self.color = converted.color
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
def _CIELAB2XYZ(self):
|
def _CIELAB2XYZ(self):
|
||||||
"""
|
"""
|
||||||
|
|
@ -219,19 +259,19 @@ class Color():
|
||||||
from http://www.easyrgb.com/index.php?X=MATH&H=07#text7
|
from http://www.easyrgb.com/index.php?X=MATH&H=07#text7
|
||||||
"""
|
"""
|
||||||
if self.model != 'CIELAB': return
|
if self.model != 'CIELAB': return
|
||||||
|
|
||||||
ref_white = np.array([.95047, 1.00000, 1.08883],'d') # Observer = 2, Illuminant = D65
|
ref_white = np.array([.95047, 1.00000, 1.08883],'d') # Observer = 2, Illuminant = D65
|
||||||
XYZ = np.zeros(3,'d')
|
XYZ = np.zeros(3,'d')
|
||||||
|
|
||||||
XYZ[1] = (self.color[0] + 16.0 ) / 116.0
|
XYZ[1] = (self.color[0] + 16.0 ) / 116.0
|
||||||
XYZ[0] = XYZ[1] + self.color[1]/ 500.0
|
XYZ[0] = XYZ[1] + self.color[1]/ 500.0
|
||||||
XYZ[2] = XYZ[1] - self.color[2]/ 200.0
|
XYZ[2] = XYZ[1] - self.color[2]/ 200.0
|
||||||
|
|
||||||
for i in range(len(XYZ)):
|
for i in range(len(XYZ)):
|
||||||
if (XYZ[i] > 6./29. ): XYZ[i] = XYZ[i]**3.
|
if (XYZ[i] > 6./29. ): XYZ[i] = XYZ[i]**3.
|
||||||
else: XYZ[i] = 108./841. * (XYZ[i] - 4./29.)
|
else: XYZ[i] = 108./841. * (XYZ[i] - 4./29.)
|
||||||
|
|
||||||
converted = Color('XYZ', XYZ*ref_white)
|
converted = Color('XYZ', XYZ*ref_white)
|
||||||
self.model = converted.model
|
self.model = converted.model
|
||||||
self.color = converted.color
|
self.color = converted.color
|
||||||
|
|
||||||
|
|
@ -244,30 +284,30 @@ class Color():
|
||||||
http://www.cs.rit.edu/~ncs/color/t_convert.html
|
http://www.cs.rit.edu/~ncs/color/t_convert.html
|
||||||
"""
|
"""
|
||||||
if self.model != 'XYZ': return
|
if self.model != 'XYZ': return
|
||||||
|
|
||||||
ref_white = np.array([.95047, 1.00000, 1.08883],'d') # Observer = 2, Illuminant = D65
|
ref_white = np.array([.95047, 1.00000, 1.08883],'d') # Observer = 2, Illuminant = D65
|
||||||
XYZ = self.color/ref_white
|
XYZ = self.color/ref_white
|
||||||
|
|
||||||
for i in range(len(XYZ)):
|
for i in range(len(XYZ)):
|
||||||
if (XYZ[i] > 216./24389 ): XYZ[i] = XYZ[i]**(1.0/3.0)
|
if (XYZ[i] > 216./24389 ): XYZ[i] = XYZ[i]**(1.0/3.0)
|
||||||
else: XYZ[i] = (841./108. * XYZ[i]) + 16.0/116.0
|
else: XYZ[i] = (841./108. * XYZ[i]) + 16.0/116.0
|
||||||
|
|
||||||
converted = Color('CIELAB', np.array([ 116.0 * XYZ[1] - 16.0,
|
converted = Color('CIELAB', np.array([ 116.0 * XYZ[1] - 16.0,
|
||||||
500.0 * (XYZ[0] - XYZ[1]),
|
500.0 * (XYZ[0] - XYZ[1]),
|
||||||
200.0 * (XYZ[1] - XYZ[2]) ]))
|
200.0 * (XYZ[1] - XYZ[2]) ]))
|
||||||
self.model = converted.model
|
self.model = converted.model
|
||||||
self.color = converted.color
|
self.color = converted.color
|
||||||
|
|
||||||
|
|
||||||
def _CIELAB2MSH(self):
|
def _CIELAB2MSH(self):
|
||||||
"""
|
"""
|
||||||
Convert CIE Lab to Msh colorspace
|
Convert CIE Lab to Msh colorspace
|
||||||
|
|
||||||
from http://www.cs.unm.edu/~kmorel/documents/ColorMaps/DivergingColorMapWorkshop.xls
|
from http://www.cs.unm.edu/~kmorel/documents/ColorMaps/DivergingColorMapWorkshop.xls
|
||||||
"""
|
"""
|
||||||
if self.model != 'CIELAB': return
|
if self.model != 'CIELAB': return
|
||||||
|
|
||||||
Msh = np.zeros(3,'d')
|
Msh = np.zeros(3,'d')
|
||||||
Msh[0] = math.sqrt(np.dot(self.color,self.color))
|
Msh[0] = math.sqrt(np.dot(self.color,self.color))
|
||||||
if (Msh[0] > 0.001):
|
if (Msh[0] > 0.001):
|
||||||
Msh[1] = math.acos(self.color[0]/Msh[0])
|
Msh[1] = math.acos(self.color[0]/Msh[0])
|
||||||
|
|
@ -287,8 +327,8 @@ class Color():
|
||||||
from http://www.cs.unm.edu/~kmorel/documents/ColorMaps/DivergingColorMapWorkshop.xls
|
from http://www.cs.unm.edu/~kmorel/documents/ColorMaps/DivergingColorMapWorkshop.xls
|
||||||
"""
|
"""
|
||||||
if self.model != 'MSH': return
|
if self.model != 'MSH': return
|
||||||
|
|
||||||
Lab = np.zeros(3,'d')
|
Lab = np.zeros(3,'d')
|
||||||
Lab[0] = self.color[0] * math.cos(self.color[1])
|
Lab[0] = self.color[0] * math.cos(self.color[1])
|
||||||
Lab[1] = self.color[0] * math.sin(self.color[1]) * math.cos(self.color[2])
|
Lab[1] = self.color[0] * math.sin(self.color[1]) * math.cos(self.color[2])
|
||||||
Lab[2] = self.color[0] * math.sin(self.color[1]) * math.sin(self.color[2])
|
Lab[2] = self.color[0] * math.sin(self.color[1]) * math.sin(self.color[2])
|
||||||
|
|
@ -305,7 +345,7 @@ class Colormap():
|
||||||
'left',
|
'left',
|
||||||
'right',
|
'right',
|
||||||
'interpolate',
|
'interpolate',
|
||||||
]
|
]
|
||||||
__predefined__ = {
|
__predefined__ = {
|
||||||
'gray': {'left': Color('HSL',[0,1,1]),
|
'gray': {'left': Color('HSL',[0,1,1]),
|
||||||
'right': Color('HSL',[0,0,0.15]),
|
'right': Color('HSL',[0,0,0.15]),
|
||||||
|
|
@ -329,7 +369,7 @@ class Colormap():
|
||||||
'right': Color('HSL',[0.11,0.75,0.38]),
|
'right': Color('HSL',[0.11,0.75,0.38]),
|
||||||
'interpolate': 'perceptualuniform'},
|
'interpolate': 'perceptualuniform'},
|
||||||
'redgreen': {'left': Color('HSL',[0.97,0.96,0.36]),
|
'redgreen': {'left': Color('HSL',[0.97,0.96,0.36]),
|
||||||
'right': Color('HSL',[0.33333,1.0,0.14]),
|
'right': Color('HSL',[0.33333,1.0,0.14]),
|
||||||
'interpolate': 'perceptualuniform'},
|
'interpolate': 'perceptualuniform'},
|
||||||
'bluered': {'left': Color('HSL',[0.65,0.53,0.49]),
|
'bluered': {'left': Color('HSL',[0.65,0.53,0.49]),
|
||||||
'right': Color('HSL',[0.97,0.96,0.36]),
|
'right': Color('HSL',[0.97,0.96,0.36]),
|
||||||
|
|
@ -347,8 +387,8 @@ class Colormap():
|
||||||
'right': Color('RGB',[0.000002,0.000000,0.286275]),
|
'right': Color('RGB',[0.000002,0.000000,0.286275]),
|
||||||
'interpolate': 'perceptualuniform'},
|
'interpolate': 'perceptualuniform'},
|
||||||
}
|
}
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def __init__(self,
|
def __init__(self,
|
||||||
left = Color('RGB',[1,1,1]),
|
left = Color('RGB',[1,1,1]),
|
||||||
|
|
@ -366,32 +406,32 @@ class Colormap():
|
||||||
left = Color()
|
left = Color()
|
||||||
if right.__class__.__name__ != 'Color':
|
if right.__class__.__name__ != 'Color':
|
||||||
right = Color()
|
right = Color()
|
||||||
|
|
||||||
self.left = left
|
self.left = left
|
||||||
self.right = right
|
self.right = right
|
||||||
self.interpolate = interpolate
|
self.interpolate = interpolate
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def __repr__(self):
|
def __repr__(self):
|
||||||
"""Left and right value of colormap"""
|
"""Left and right value of colormap"""
|
||||||
return 'Left: %s Right: %s'%(self.left,self.right)
|
return 'Left: %s Right: %s'%(self.left,self.right)
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def invert(self):
|
def invert(self):
|
||||||
(self.left, self.right) = (self.right, self.left)
|
(self.left, self.right) = (self.right, self.left)
|
||||||
return self
|
return self
|
||||||
|
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def color(self,fraction = 0.5):
|
def color(self,fraction = 0.5):
|
||||||
|
|
||||||
def interpolate_Msh(lo, hi, frac):
|
def interpolate_Msh(lo, hi, frac):
|
||||||
|
|
||||||
def rad_diff(a,b):
|
def rad_diff(a,b):
|
||||||
return abs(a[2]-b[2])
|
return abs(a[2]-b[2])
|
||||||
# if saturation of one of the two colors is too less than the other, hue of the less
|
# if saturation of one of the two colors is too less than the other, hue of the less
|
||||||
def adjust_hue(Msh_sat, Msh_unsat):
|
def adjust_hue(Msh_sat, Msh_unsat):
|
||||||
if Msh_sat[0] >= Msh_unsat[0]:
|
if Msh_sat[0] >= Msh_unsat[0]:
|
||||||
return Msh_sat[2]
|
return Msh_sat[2]
|
||||||
|
|
@ -399,11 +439,11 @@ class Colormap():
|
||||||
hSpin = Msh_sat[1]/math.sin(Msh_sat[1])*math.sqrt(Msh_unsat[0]**2.0-Msh_sat[0]**2)/Msh_sat[0]
|
hSpin = Msh_sat[1]/math.sin(Msh_sat[1])*math.sqrt(Msh_unsat[0]**2.0-Msh_sat[0]**2)/Msh_sat[0]
|
||||||
if Msh_sat[2] < - math.pi/3.0: hSpin *= -1.0
|
if Msh_sat[2] < - math.pi/3.0: hSpin *= -1.0
|
||||||
return Msh_sat[2] + hSpin
|
return Msh_sat[2] + hSpin
|
||||||
|
|
||||||
Msh1 = np.array(lo[:])
|
Msh1 = np.array(lo[:])
|
||||||
Msh2 = np.array(hi[:])
|
Msh2 = np.array(hi[:])
|
||||||
|
|
||||||
if (Msh1[1] > 0.05 and Msh2[1] > 0.05 and rad_diff(Msh1,Msh2) > math.pi/3.0):
|
if (Msh1[1] > 0.05 and Msh2[1] > 0.05 and rad_diff(Msh1,Msh2) > math.pi/3.0):
|
||||||
M_mid = max(Msh1[0],Msh2[0],88.0)
|
M_mid = max(Msh1[0],Msh2[0],88.0)
|
||||||
if frac < 0.5:
|
if frac < 0.5:
|
||||||
Msh2 = np.array([M_mid,0.0,0.0],'d')
|
Msh2 = np.array([M_mid,0.0,0.0],'d')
|
||||||
|
|
@ -414,16 +454,16 @@ class Colormap():
|
||||||
if Msh1[1] < 0.05 and Msh2[1] > 0.05: Msh1[2] = adjust_hue(Msh2,Msh1)
|
if Msh1[1] < 0.05 and Msh2[1] > 0.05: Msh1[2] = adjust_hue(Msh2,Msh1)
|
||||||
elif Msh1[1] > 0.05 and Msh2[1] < 0.05: Msh2[2] = adjust_hue(Msh1,Msh2)
|
elif Msh1[1] > 0.05 and Msh2[1] < 0.05: Msh2[2] = adjust_hue(Msh1,Msh2)
|
||||||
Msh = (1.0 - frac) * Msh1 + frac * Msh2
|
Msh = (1.0 - frac) * Msh1 + frac * Msh2
|
||||||
|
|
||||||
return Color('MSH',Msh)
|
return Color('MSH',Msh)
|
||||||
|
|
||||||
def interpolate_linear(lo, hi, frac):
|
def interpolate_linear(lo, hi, frac):
|
||||||
"""Linear interpolation between lo and hi color at given fraction; output in model of lo color."""
|
"""Linear interpolation between lo and hi color at given fraction; output in model of lo color."""
|
||||||
interpolation = (1.0 - frac) * np.array(lo.color[:]) \
|
interpolation = (1.0 - frac) * np.array(lo.color[:]) \
|
||||||
+ frac * np.array(hi.expressAs(lo.model).color[:])
|
+ frac * np.array(hi.expressAs(lo.model).color[:])
|
||||||
|
|
||||||
return Color(lo.model,interpolation)
|
return Color(lo.model,interpolation)
|
||||||
|
|
||||||
if self.interpolate == 'perceptualuniform':
|
if self.interpolate == 'perceptualuniform':
|
||||||
return interpolate_Msh(self.left.expressAs('MSH').color,
|
return interpolate_Msh(self.left.expressAs('MSH').color,
|
||||||
self.right.expressAs('MSH').color,fraction)
|
self.right.expressAs('MSH').color,fraction)
|
||||||
|
|
@ -432,8 +472,8 @@ class Colormap():
|
||||||
self.right,fraction)
|
self.right,fraction)
|
||||||
else:
|
else:
|
||||||
raise NameError('unknown color interpolation method')
|
raise NameError('unknown color interpolation method')
|
||||||
|
|
||||||
# ------------------------------------------------------------------
|
# ------------------------------------------------------------------
|
||||||
def export(self,name = 'uniformPerceptualColorMap',\
|
def export(self,name = 'uniformPerceptualColorMap',\
|
||||||
format = 'paraview',\
|
format = 'paraview',\
|
||||||
steps = 2,\
|
steps = 2,\
|
||||||
|
|
@ -461,21 +501,21 @@ class Colormap():
|
||||||
colormap = ['View.ColorTable = {'] \
|
colormap = ['View.ColorTable = {'] \
|
||||||
+ [',\n'.join(['{%s}'%(','.join([str(x*255.0) for x in color])) for color in colors])] \
|
+ [',\n'.join(['{%s}'%(','.join([str(x*255.0) for x in color])) for color in colors])] \
|
||||||
+ ['}']
|
+ ['}']
|
||||||
|
|
||||||
elif format == 'gom':
|
elif format == 'gom':
|
||||||
colormap = ['1 1 ' + str(name) \
|
colormap = ['1 1 ' + str(name) \
|
||||||
+ ' 9 ' + str(name) \
|
+ ' 9 ' + str(name) \
|
||||||
+ ' 0 1 0 3 0 0 -1 9 \ 0 0 0 255 255 255 0 0 255 ' \
|
+ ' 0 1 0 3 0 0 -1 9 \ 0 0 0 255 255 255 0 0 255 ' \
|
||||||
+ '30 NO_UNIT 1 1 64 64 64 255 1 0 0 0 0 0 0 3 0 ' + str(len(colors)) \
|
+ '30 NO_UNIT 1 1 64 64 64 255 1 0 0 0 0 0 0 3 0 ' + str(len(colors)) \
|
||||||
+ ' '.join([' 0 %s 255 1'%(' '.join([str(int(x*255.0)) for x in color])) for color in reversed(colors)])]
|
+ ' '.join([' 0 %s 255 1'%(' '.join([str(int(x*255.0)) for x in color])) for color in reversed(colors)])]
|
||||||
|
|
||||||
elif format == 'raw':
|
elif format == 'raw':
|
||||||
colormap = ['\t'.join(map(str,color)) for color in colors]
|
colormap = ['\t'.join(map(str,color)) for color in colors]
|
||||||
|
|
||||||
elif format == 'list':
|
elif format == 'list':
|
||||||
colormap = colors
|
colormap = colors
|
||||||
|
|
||||||
else:
|
else:
|
||||||
raise NameError('unknown color export format')
|
raise NameError('unknown color export format')
|
||||||
|
|
||||||
return '\n'.join(colormap) + '\n' if type(colormap[0]) is str else colormap
|
return '\n'.join(colormap) + '\n' if type(colormap[0]) is str else colormap
|
||||||
|
|
|
||||||
|
|
@ -101,8 +101,6 @@ class Texture(Section):
|
||||||
class Material():
|
class Material():
|
||||||
"""Reads, manipulates and writes material.config files"""
|
"""Reads, manipulates and writes material.config files"""
|
||||||
|
|
||||||
__slots__ = ['data']
|
|
||||||
|
|
||||||
def __init__(self,verbose=True):
|
def __init__(self,verbose=True):
|
||||||
"""Generates ordered list of parts"""
|
"""Generates ordered list of parts"""
|
||||||
self.parts = [
|
self.parts = [
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,7 @@ parser.add_option('-f','--formula',
|
||||||
|
|
||||||
parser.add_option('-c','--condition',
|
parser.add_option('-c','--condition',
|
||||||
dest = 'condition', metavar='string',
|
dest = 'condition', metavar='string',
|
||||||
help = 'condition to filter rows')
|
help = 'condition to alter existing column data')
|
||||||
|
|
||||||
parser.set_defaults(condition = None,
|
parser.set_defaults(condition = None,
|
||||||
)
|
)
|
||||||
|
|
@ -77,28 +77,27 @@ for name in filenames:
|
||||||
|
|
||||||
# --------------------------------------- evaluate condition ---------------------------------------
|
# --------------------------------------- evaluate condition ---------------------------------------
|
||||||
if options.condition is not None:
|
if options.condition is not None:
|
||||||
interpolator = []
|
|
||||||
condition = options.condition # copy per file, since might be altered inline
|
condition = options.condition # copy per file, since might be altered inline
|
||||||
breaker = False
|
breaker = False
|
||||||
|
|
||||||
for position,operand in enumerate(set(re.findall(r'#(([s]#)?(.+?))#',condition))): # find three groups
|
for position,(all,marker,column) in enumerate(set(re.findall(r'#(([s]#)?(.+?))#',condition))): # find three groups
|
||||||
condition = condition.replace('#'+operand[0]+'#',
|
idx = table.label_index(column)
|
||||||
{ '': '{%i}'%position,
|
dim = table.label_dimension(column)
|
||||||
's#':'"{%i}"'%position}[operand[1]])
|
if idx < 0 and column not in specials:
|
||||||
if operand[2] in specials: # special label
|
damask.util.croak('column "{}" not found.'.format(column))
|
||||||
interpolator += ['specials["%s"]'%operand[2]]
|
breaker = True
|
||||||
else:
|
else:
|
||||||
try:
|
if column in specials:
|
||||||
interpolator += ['%s(table.data[%i])'%({ '':'float',
|
replacement = 'specials["{}"]'.format(column)
|
||||||
's#':'str'}[operand[1]],
|
elif dim == 1: # scalar input
|
||||||
table.label_index(operand[2]))] # could be generalized to indexrange as array lookup
|
replacement = '{}(table.data[{}])'.format({ '':'float',
|
||||||
except:
|
's#':'str'}[marker],idx) # take float or string value of data column
|
||||||
damask.util.croak('column "{}" not found.'.format(operand[2]))
|
elif dim > 1: # multidimensional input (vector, tensor, etc.)
|
||||||
breaker = True
|
replacement = 'np.array(table.data[{}:{}],dtype=float)'.format(idx,idx+dim) # use (flat) array representation
|
||||||
|
|
||||||
if breaker: continue # found mistake in condition evaluation --> next file
|
condition = condition.replace('#'+all+'#',replacement)
|
||||||
|
|
||||||
evaluator_condition = "'" + condition + "'.format(" + ','.join(interpolator) + ")"
|
if breaker: continue # found mistake in condition evaluation --> next file
|
||||||
|
|
||||||
# ------------------------------------------ build formulas ----------------------------------------
|
# ------------------------------------------ build formulas ----------------------------------------
|
||||||
|
|
||||||
|
|
@ -162,7 +161,7 @@ for name in filenames:
|
||||||
|
|
||||||
# -------------------------------------- evaluate formulas -----------------------------------------
|
# -------------------------------------- evaluate formulas -----------------------------------------
|
||||||
|
|
||||||
if options.condition is None or eval(eval(evaluator_condition)): # condition for veteran replacement fulfilled
|
if options.condition is None or eval(condition): # condition for veteran replacement fulfilled
|
||||||
for veteran in veterans: # evaluate formulas that overwrite
|
for veteran in veterans: # evaluate formulas that overwrite
|
||||||
table.data[table.label_index(veteran):
|
table.data[table.label_index(veteran):
|
||||||
table.label_index(veteran)+table.label_dimension(veteran)] = \
|
table.label_index(veteran)+table.label_dimension(veteran)] = \
|
||||||
|
|
|
||||||
|
|
@ -14,7 +14,7 @@ scriptID = ' '.join([scriptName,damask.version])
|
||||||
# --------------------------------------------------------------------
|
# --------------------------------------------------------------------
|
||||||
|
|
||||||
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
|
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
|
||||||
Add data of selected column(s) from (first) row of second ASCIItable that shares the linking column value.
|
Add data of selected column(s) from (first) row of linked ASCIItable that shares the linking column value.
|
||||||
|
|
||||||
""", version = scriptID)
|
""", version = scriptID)
|
||||||
|
|
||||||
|
|
@ -25,7 +25,7 @@ parser.add_option('--link',
|
||||||
parser.add_option('-l','--label',
|
parser.add_option('-l','--label',
|
||||||
dest = 'label',
|
dest = 'label',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'column label(s) to be appended')
|
help = 'column label(s) to add from linked ASCIItable')
|
||||||
parser.add_option('-a','--asciitable',
|
parser.add_option('-a','--asciitable',
|
||||||
dest = 'asciitable',
|
dest = 'asciitable',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
|
|
@ -48,17 +48,19 @@ if options.asciitable is not None and os.path.isfile(options.asciitable):
|
||||||
buffered = False,
|
buffered = False,
|
||||||
readonly = True)
|
readonly = True)
|
||||||
linkedTable.head_read() # read ASCII header info of linked table
|
linkedTable.head_read() # read ASCII header info of linked table
|
||||||
if linkedTable.label_dimension(options.link[1]) != 1:
|
linkDim = linkedTable.label_dimension(options.link[1]) # dimension of linking column
|
||||||
parser.error('linking column {} needs to be scalar valued.'.format(options.link[1]))
|
|
||||||
|
|
||||||
missing_labels = linkedTable.data_readArray([options.link[1]]+options.label)
|
missing_labels = linkedTable.data_readArray([options.link[1]]+options.label) # try reading linked ASCII table
|
||||||
linkedTable.close() # close linked ASCII table
|
linkedTable.close() # close linked ASCII table
|
||||||
|
|
||||||
if len(missing_labels) > 0:
|
if len(missing_labels) > 0:
|
||||||
damask.util.croak('column{} {} not found...'.format('s' if len(missing_labels) > 1 else '',', '.join(missing_labels)))
|
damask.util.croak('column{} {} not found...'.format('s' if len(missing_labels) > 1 else '',', '.join(missing_labels)))
|
||||||
|
if len(missing_labels) >= len(options.label):
|
||||||
|
damask.util.croak('aborting...')
|
||||||
|
sys.exit()
|
||||||
|
|
||||||
index = linkedTable.data[:,0]
|
index = linkedTable.data[:,:linkDim]
|
||||||
data = linkedTable.data[:,1:]
|
data = linkedTable.data[:,linkDim:]
|
||||||
else:
|
else:
|
||||||
parser.error('no linked ASCIItable given.')
|
parser.error('no linked ASCIItable given.')
|
||||||
|
|
||||||
|
|
@ -70,7 +72,8 @@ for name in filenames:
|
||||||
try: table = damask.ASCIItable(name = name,
|
try: table = damask.ASCIItable(name = name,
|
||||||
buffered = False)
|
buffered = False)
|
||||||
except: continue
|
except: continue
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,"{} {} <== {} {}".format(name,damask.util.deemph('@ '+options.link[0]),
|
||||||
|
options.asciitable,damask.util.deemph('@ '+options.link[1])))
|
||||||
|
|
||||||
# ------------------------------------------ read header ------------------------------------------
|
# ------------------------------------------ read header ------------------------------------------
|
||||||
|
|
||||||
|
|
@ -80,8 +83,10 @@ for name in filenames:
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
|
|
||||||
linkColumn = table.label_index(options.link[0])
|
myLink = table.label_index (options.link[0])
|
||||||
if linkColumn < 0: errors.append('linking column {} not found.'.format(options.link[0]))
|
myLinkDim = table.label_dimension(options.link[0])
|
||||||
|
if myLink < 0: errors.append('linking column {} not found.'.format(options.link[0]))
|
||||||
|
if myLinkDim != linkDim: errors.append('dimension mismatch for column {}.'.format(options.link[0]))
|
||||||
|
|
||||||
if errors != []:
|
if errors != []:
|
||||||
damask.util.croak(errors)
|
damask.util.croak(errors)
|
||||||
|
|
@ -91,7 +96,7 @@ for name in filenames:
|
||||||
# ------------------------------------------ assemble header --------------------------------------
|
# ------------------------------------------ assemble header --------------------------------------
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||||
table.labels_append(linkedTable.labels(raw = True)[1:]) # extend with new labels (except for linked column)
|
table.labels_append(linkedTable.labels(raw = True)[linkDim:]) # extend with new labels (except for linked column)
|
||||||
|
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
||||||
|
|
@ -100,7 +105,7 @@ for name in filenames:
|
||||||
outputAlive = True
|
outputAlive = True
|
||||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||||
try:
|
try:
|
||||||
table.data_append(data[np.argwhere(index == float(table.data[linkColumn]))[0]]) # add data from first matching line
|
table.data_append(data[np.argwhere(np.all((map(float,table.data[myLink:myLink+myLinkDim]) - index)==0,axis=1))[0]]) # add data of first matching line
|
||||||
except IndexError:
|
except IndexError:
|
||||||
table.data_append(np.nan*np.ones_like(data[0])) # or add NaNs
|
table.data_append(np.nan*np.ones_like(data[0])) # or add NaNs
|
||||||
outputAlive = table.data_write() # output processed line
|
outputAlive = table.data_write() # output processed line
|
||||||
|
|
|
||||||
|
|
@ -42,14 +42,22 @@ parser.add_option('-r', '--crystalrotation',
|
||||||
dest='crystalrotation',
|
dest='crystalrotation',
|
||||||
type = 'float', nargs = 4, metavar = ' '.join(['float']*4),
|
type = 'float', nargs = 4, metavar = ' '.join(['float']*4),
|
||||||
help = 'angle and axis of additional crystal frame rotation')
|
help = 'angle and axis of additional crystal frame rotation')
|
||||||
parser.add_option('-e', '--eulers',
|
parser.add_option( '--eulers',
|
||||||
dest = 'eulers',
|
dest = 'eulers',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
help = 'Euler angles label')
|
help = 'Euler angles label')
|
||||||
parser.add_option('-m', '--matrix',
|
parser.add_option( '--rodrigues',
|
||||||
|
dest = 'rodrigues',
|
||||||
|
type = 'string', metavar = 'string',
|
||||||
|
help = 'Rodrigues vector label')
|
||||||
|
parser.add_option( '--matrix',
|
||||||
dest = 'matrix',
|
dest = 'matrix',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
help = 'orientation matrix label')
|
help = 'orientation matrix label')
|
||||||
|
parser.add_option( '--quaternion',
|
||||||
|
dest = 'quaternion',
|
||||||
|
type = 'string', metavar = 'string',
|
||||||
|
help = 'quaternion label')
|
||||||
parser.add_option('-a',
|
parser.add_option('-a',
|
||||||
dest = 'a',
|
dest = 'a',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
|
|
@ -62,10 +70,6 @@ parser.add_option('-c',
|
||||||
dest = 'c',
|
dest = 'c',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
help = 'crystal frame c vector label')
|
help = 'crystal frame c vector label')
|
||||||
parser.add_option('-q', '--quaternion',
|
|
||||||
dest = 'quaternion',
|
|
||||||
type = 'string', metavar = 'string',
|
|
||||||
help = 'quaternion label')
|
|
||||||
|
|
||||||
parser.set_defaults(output = [],
|
parser.set_defaults(output = [],
|
||||||
symmetry = damask.Symmetry.lattices[-1],
|
symmetry = damask.Symmetry.lattices[-1],
|
||||||
|
|
@ -81,6 +85,7 @@ if options.output == [] or (not set(options.output).issubset(set(outputChoices))
|
||||||
parser.error('output must be chosen from {}.'.format(', '.join(outputChoices)))
|
parser.error('output must be chosen from {}.'.format(', '.join(outputChoices)))
|
||||||
|
|
||||||
input = [options.eulers is not None,
|
input = [options.eulers is not None,
|
||||||
|
options.rodrigues is not None,
|
||||||
options.a is not None and \
|
options.a is not None and \
|
||||||
options.b is not None and \
|
options.b is not None and \
|
||||||
options.c is not None,
|
options.c is not None,
|
||||||
|
|
@ -91,6 +96,7 @@ input = [options.eulers is not None,
|
||||||
if np.sum(input) != 1: parser.error('needs exactly one input format.')
|
if np.sum(input) != 1: parser.error('needs exactly one input format.')
|
||||||
|
|
||||||
(label,dim,inputtype) = [(options.eulers,3,'eulers'),
|
(label,dim,inputtype) = [(options.eulers,3,'eulers'),
|
||||||
|
(options.rodrigues,3,'rodrigues'),
|
||||||
([options.a,options.b,options.c],[3,3,3],'frame'),
|
([options.a,options.b,options.c],[3,3,3],'frame'),
|
||||||
(options.matrix,9,'matrix'),
|
(options.matrix,9,'matrix'),
|
||||||
(options.quaternion,4,'quaternion'),
|
(options.quaternion,4,'quaternion'),
|
||||||
|
|
@ -143,6 +149,9 @@ for name in filenames:
|
||||||
if inputtype == 'eulers':
|
if inputtype == 'eulers':
|
||||||
o = damask.Orientation(Eulers = np.array(map(float,table.data[column:column+3]))*toRadians,
|
o = damask.Orientation(Eulers = np.array(map(float,table.data[column:column+3]))*toRadians,
|
||||||
symmetry = options.symmetry).reduced()
|
symmetry = options.symmetry).reduced()
|
||||||
|
elif inputtype == 'rodrigues':
|
||||||
|
o = damask.Orientation(Rodrigues= np.array(map(float,table.data[column:column+3])),
|
||||||
|
symmetry = options.symmetry).reduced()
|
||||||
elif inputtype == 'matrix':
|
elif inputtype == 'matrix':
|
||||||
o = damask.Orientation(matrix = np.array(map(float,table.data[column:column+9])).reshape(3,3).transpose(),
|
o = damask.Orientation(matrix = np.array(map(float,table.data[column:column+9])).reshape(3,3).transpose(),
|
||||||
symmetry = options.symmetry).reduced()
|
symmetry = options.symmetry).reduced()
|
||||||
|
|
|
||||||
|
|
@ -22,7 +22,13 @@ parser.add_option('-t','--tensor',
|
||||||
dest = 'tensor',
|
dest = 'tensor',
|
||||||
action = 'extend', metavar = '<string LIST>',
|
action = 'extend', metavar = '<string LIST>',
|
||||||
help = 'heading of columns containing tensor field values')
|
help = 'heading of columns containing tensor field values')
|
||||||
|
parser.add_option('--no-check',
|
||||||
|
dest = 'rh',
|
||||||
|
action = 'store_false',
|
||||||
|
help = 'skip check for right-handed eigenvector basis')
|
||||||
|
|
||||||
|
parser.set_defaults(rh = True,
|
||||||
|
)
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
if options.tensor is None:
|
if options.tensor is None:
|
||||||
|
|
@ -57,8 +63,10 @@ for name in filenames:
|
||||||
if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
|
if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
|
||||||
else:
|
else:
|
||||||
items[type]['column'].append(table.label_index(what))
|
items[type]['column'].append(table.label_index(what))
|
||||||
table.labels_append(['{}_eigval({})'.format(i+1,what) for i in range(3)]) # extend ASCII header with new labels
|
for order in ['Min','Mid','Max']:
|
||||||
table.labels_append(['{}_eigvec({})'.format(i+1,what) for i in range(9)]) # extend ASCII header with new labels
|
table.labels_append(['eigval{}({})'.format(order,what)]) # extend ASCII header with new labels
|
||||||
|
for order in ['Min','Mid','Max']:
|
||||||
|
table.labels_append(['{}_eigvec{}({})'.format(i+1,order,what) for i in range(3)]) # extend ASCII header with new labels
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
if remarks != []: damask.util.croak(remarks)
|
||||||
if errors != []:
|
if errors != []:
|
||||||
|
|
@ -78,10 +86,10 @@ for name in filenames:
|
||||||
for type, data in items.iteritems():
|
for type, data in items.iteritems():
|
||||||
for column in data['column']:
|
for column in data['column']:
|
||||||
(u,v) = np.linalg.eigh(np.array(map(float,table.data[column:column+data['dim']])).reshape(data['shape']))
|
(u,v) = np.linalg.eigh(np.array(map(float,table.data[column:column+data['dim']])).reshape(data['shape']))
|
||||||
if np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed coordinate system
|
if options.rh and np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed eigenvector basis
|
||||||
table.data_append(list(u))
|
table.data_append(list(u)) # vector of max,mid,min eigval
|
||||||
table.data_append(list(v.transpose().reshape(data['dim'])))
|
table.data_append(list(v.transpose().reshape(data['dim']))) # 3x3=9 combo vector of max,mid,min eigvec coordinates
|
||||||
outputAlive = table.data_write() # output processed line
|
outputAlive = table.data_write() # output processed line in accordance with column labeling
|
||||||
|
|
||||||
# ------------------------------------------ output finalization -----------------------------------
|
# ------------------------------------------ output finalization -----------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -51,7 +51,7 @@ parser.add_option('-c','--condition',
|
||||||
dest = 'condition', metavar='string',
|
dest = 'condition', metavar='string',
|
||||||
help = 'condition to filter rows')
|
help = 'condition to filter rows')
|
||||||
|
|
||||||
parser.set_defaults(condition = '',
|
parser.set_defaults(condition = None,
|
||||||
)
|
)
|
||||||
|
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
@ -93,45 +93,61 @@ for name in filenames:
|
||||||
or fnmatch.fnmatch(label,needle) for needle in options.whitelist] # which whitelist items do match it
|
or fnmatch.fnmatch(label,needle) for needle in options.whitelist] # which whitelist items do match it
|
||||||
whitelistitem[i] = match.index(True) if np.sum(match) == 1 else -1 # unique match to a whitelist item --> store which
|
whitelistitem[i] = match.index(True) if np.sum(match) == 1 else -1 # unique match to a whitelist item --> store which
|
||||||
|
|
||||||
sorted = np.lexsort(sortingList(labels,whitelistitem))
|
order = range(len(labels)) if np.any(whitelistitem < 0) \
|
||||||
order = range(len(labels)) if sorted[0] < 0 else sorted # skip reordering if non-unique, i.e. first sorted is "-1"
|
else np.lexsort(sortingList(labels,whitelistitem)) # reorder if unique, i.e. no "-1" in whitelistitem
|
||||||
else:
|
else:
|
||||||
order = range(len(labels)) # maintain original order of labels
|
order = range(len(labels)) # maintain original order of labels
|
||||||
|
|
||||||
interpolator = []
|
# --------------------------------------- evaluate condition ---------------------------------------
|
||||||
condition = options.condition # copy per file, might be altered
|
if options.condition is not None:
|
||||||
for position,operand in enumerate(set(re.findall(r'#(([s]#)?(.+?))#',condition))): # find three groups
|
condition = options.condition # copy per file, since might be altered inline
|
||||||
condition = condition.replace('#'+operand[0]+'#',
|
breaker = False
|
||||||
{ '': '{{{}}}' .format(position),
|
|
||||||
's#':'"{{{}}}"'.format(position)}[operand[1]])
|
for position,(all,marker,column) in enumerate(set(re.findall(r'#(([s]#)?(.+?))#',condition))): # find three groups
|
||||||
if operand[2] in specials: # special label ?
|
idx = table.label_index(column)
|
||||||
interpolator += ['specials["{}"]'.format(operand[2])]
|
dim = table.label_dimension(column)
|
||||||
else:
|
if idx < 0 and column not in specials:
|
||||||
try:
|
damask.util.croak('column "{}" not found.'.format(column))
|
||||||
interpolator += ['{}(table.data[{}])'.format({ '':'float',
|
breaker = True
|
||||||
's#':'str'}[operand[1]],
|
else:
|
||||||
table.label_index(operand[2]))]
|
if column in specials:
|
||||||
except:
|
replacement = 'specials["{}"]'.format(column)
|
||||||
parser.error('column "{}" not found...\n'.format(operand[2]))
|
elif dim == 1: # scalar input
|
||||||
|
replacement = '{}(table.data[{}])'.format({ '':'float',
|
||||||
evaluator = "'" + condition + "'.format(" + ','.join(interpolator) + ")"
|
's#':'str'}[marker],idx) # take float or string value of data column
|
||||||
|
elif dim > 1: # multidimensional input (vector, tensor, etc.)
|
||||||
|
replacement = 'np.array(table.data[{}:{}],dtype=float)'.format(idx,idx+dim) # use (flat) array representation
|
||||||
|
|
||||||
|
condition = condition.replace('#'+all+'#',replacement)
|
||||||
|
|
||||||
|
if breaker: continue # found mistake in condition evaluation --> next file
|
||||||
|
|
||||||
# ------------------------------------------ assemble header ---------------------------------------
|
# ------------------------------------------ assemble header ---------------------------------------
|
||||||
|
|
||||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||||
table.labels_clear()
|
table.labels_clear()
|
||||||
table.labels_append(np.array(labels)[order]) # update with new label set
|
table.labels_append(np.array(labels)[order]) # update with new label set
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
||||||
# ------------------------------------------ process and output data ------------------------------------------
|
# ------------------------------------------ process and output data ------------------------------------------
|
||||||
|
|
||||||
positions = np.array(positions)[order]
|
positions = np.array(positions)[order]
|
||||||
outputAlive = True
|
|
||||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
atOnce = options.condition is None
|
||||||
specials['_row_'] += 1 # count row
|
if atOnce: # read full array and filter columns
|
||||||
if condition == '' or eval(eval(evaluator)): # valid row ?
|
try:
|
||||||
table.data = [table.data[position] for position in positions] # retain filtered columns
|
table.data_readArray(positions+1) # read desired columns (indexed 1,...)
|
||||||
outputAlive = table.data_write() # output processed line
|
table.data_writeArray() # directly write out
|
||||||
|
except:
|
||||||
|
atOnce = False # data contains items that prevent array chunking
|
||||||
|
|
||||||
|
if not atOnce: # read data line by line
|
||||||
|
outputAlive = True
|
||||||
|
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||||
|
specials['_row_'] += 1 # count row
|
||||||
|
if options.condition is None or eval(condition): # valid row ?
|
||||||
|
table.data = [table.data[position] for position in positions] # retain filtered columns
|
||||||
|
outputAlive = table.data_write() # output processed line
|
||||||
|
|
||||||
# ------------------------------------------ finalize output -----------------------------------------
|
# ------------------------------------------ finalize output -----------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -431,7 +431,7 @@ def mapIncremental(label, mapping, N, base, new):
|
||||||
'avgabs': lambda n,b,a: (n*b+abs(a))/(n+1),
|
'avgabs': lambda n,b,a: (n*b+abs(a))/(n+1),
|
||||||
'sum': lambda n,b,a: a if n==0 else b+a,
|
'sum': lambda n,b,a: a if n==0 else b+a,
|
||||||
'sumabs': lambda n,b,a: abs(a) if n==0 else b+abs(a),
|
'sumabs': lambda n,b,a: abs(a) if n==0 else b+abs(a),
|
||||||
'unique': lambda n,b,a: a if n==0 or b==a else 'n/a'
|
'unique': lambda n,b,a: a if n==0 or b==a else 'nan'
|
||||||
}
|
}
|
||||||
if mapping in theMap:
|
if mapping in theMap:
|
||||||
mapped = map(theMap[mapping],[N]*len(base),base,new) # map one of the standard functions to data
|
mapped = map(theMap[mapping],[N]*len(base),base,new) # map one of the standard functions to data
|
||||||
|
|
@ -442,7 +442,7 @@ def mapIncremental(label, mapping, N, base, new):
|
||||||
try:
|
try:
|
||||||
mapped = eval('map(%s,[N]*len(base),base,new)'%mapping) # map user defined function to colums in chunks
|
mapped = eval('map(%s,[N]*len(base),base,new)'%mapping) # map user defined function to colums in chunks
|
||||||
except:
|
except:
|
||||||
mapped = ['n/a']*len(base)
|
mapped = ['nan']*len(base)
|
||||||
|
|
||||||
return mapped
|
return mapped
|
||||||
|
|
||||||
|
|
@ -451,9 +451,9 @@ def mapIncremental(label, mapping, N, base, new):
|
||||||
# -----------------------------
|
# -----------------------------
|
||||||
def OpenPostfile(name,type,nodal = False):
|
def OpenPostfile(name,type,nodal = False):
|
||||||
"""Open postfile with extrapolation mode 'translate'"""
|
"""Open postfile with extrapolation mode 'translate'"""
|
||||||
p = {\
|
p = {
|
||||||
'spectral': MPIEspectral_result,\
|
'spectral': MPIEspectral_result,
|
||||||
'marc': post_open,\
|
'marc': post_open,
|
||||||
}[type](name)
|
}[type](name)
|
||||||
p.extrapolation({True:'linear',False:'translate'}[nodal])
|
p.extrapolation({True:'linear',False:'translate'}[nodal])
|
||||||
p.moveto(1)
|
p.moveto(1)
|
||||||
|
|
@ -512,19 +512,19 @@ def ParsePostfile(p,filename, outputFormat):
|
||||||
|
|
||||||
needs "outputFormat" for mapping of output names to postfile output indices
|
needs "outputFormat" for mapping of output names to postfile output indices
|
||||||
"""
|
"""
|
||||||
stat = { \
|
stat = {
|
||||||
'IndexOfLabel': {}, \
|
'IndexOfLabel': {},
|
||||||
'Title': p.title(), \
|
'Title': p.title(),
|
||||||
'Extrapolation': p.extrapolate, \
|
'Extrapolation': p.extrapolate,
|
||||||
'NumberOfIncrements': p.increments(), \
|
'NumberOfIncrements': p.increments(),
|
||||||
'NumberOfNodes': p.nodes(), \
|
'NumberOfNodes': p.nodes(),
|
||||||
'NumberOfNodalScalars': p.node_scalars(), \
|
'NumberOfNodalScalars': p.node_scalars(),
|
||||||
'LabelOfNodalScalar': [None]*p.node_scalars() , \
|
'LabelOfNodalScalar': [None]*p.node_scalars(),
|
||||||
'NumberOfElements': p.elements(), \
|
'NumberOfElements': p.elements(),
|
||||||
'NumberOfElementalScalars': p.element_scalars(), \
|
'NumberOfElementalScalars': p.element_scalars(),
|
||||||
'LabelOfElementalScalar': [None]*p.element_scalars() , \
|
'LabelOfElementalScalar': [None]*p.element_scalars(),
|
||||||
'NumberOfElementalTensors': p.element_tensors(), \
|
'NumberOfElementalTensors': p.element_tensors(),
|
||||||
'LabelOfElementalTensor': [None]*p.element_tensors(), \
|
'LabelOfElementalTensor': [None]*p.element_tensors(),
|
||||||
}
|
}
|
||||||
|
|
||||||
# --- find labels
|
# --- find labels
|
||||||
|
|
@ -671,6 +671,9 @@ parser.add_option('-m','--map', dest='func',
|
||||||
parser.add_option('-p','--type', dest='filetype',
|
parser.add_option('-p','--type', dest='filetype',
|
||||||
metavar = 'string',
|
metavar = 'string',
|
||||||
help = 'type of result file [auto]')
|
help = 'type of result file [auto]')
|
||||||
|
parser.add_option('-q','--quiet', dest='verbose',
|
||||||
|
action = 'store_false',
|
||||||
|
help = 'suppress verbose output')
|
||||||
|
|
||||||
group_material = OptionGroup(parser,'Material identifier')
|
group_material = OptionGroup(parser,'Material identifier')
|
||||||
|
|
||||||
|
|
@ -711,24 +714,26 @@ parser.add_option_group(group_material)
|
||||||
parser.add_option_group(group_general)
|
parser.add_option_group(group_general)
|
||||||
parser.add_option_group(group_special)
|
parser.add_option_group(group_special)
|
||||||
|
|
||||||
parser.set_defaults(info = False)
|
parser.set_defaults(info = False,
|
||||||
parser.set_defaults(legacy = False)
|
verbose = True,
|
||||||
parser.set_defaults(nodal = False)
|
legacy = False,
|
||||||
parser.set_defaults(prefix = '')
|
nodal = False,
|
||||||
parser.set_defaults(suffix = '')
|
prefix = '',
|
||||||
parser.set_defaults(dir = 'postProc')
|
suffix = '',
|
||||||
parser.set_defaults(filetype = None)
|
dir = 'postProc',
|
||||||
parser.set_defaults(func = 'avg')
|
filetype = None,
|
||||||
parser.set_defaults(homog = '1')
|
func = 'avg',
|
||||||
parser.set_defaults(cryst = '1')
|
homog = '1',
|
||||||
parser.set_defaults(phase = '1')
|
cryst = '1',
|
||||||
parser.set_defaults(filter = '')
|
phase = '1',
|
||||||
parser.set_defaults(sep = [])
|
filter = '',
|
||||||
parser.set_defaults(sort = [])
|
sep = [],
|
||||||
parser.set_defaults(inc = False)
|
sort = [],
|
||||||
parser.set_defaults(time = False)
|
inc = False,
|
||||||
parser.set_defaults(separateFiles = False)
|
time = False,
|
||||||
parser.set_defaults(getIncrements= False)
|
separateFiles = False,
|
||||||
|
getIncrements= False,
|
||||||
|
)
|
||||||
|
|
||||||
(options, files) = parser.parse_args()
|
(options, files) = parser.parse_args()
|
||||||
|
|
||||||
|
|
@ -797,8 +802,9 @@ options.sep.reverse()
|
||||||
|
|
||||||
# --- start background messaging
|
# --- start background messaging
|
||||||
|
|
||||||
bg = damask.util.backgroundMessage()
|
if options.verbose:
|
||||||
bg.start()
|
bg = damask.util.backgroundMessage()
|
||||||
|
bg.start()
|
||||||
|
|
||||||
# --- parse .output and .t16 files
|
# --- parse .output and .t16 files
|
||||||
|
|
||||||
|
|
@ -816,7 +822,7 @@ me = {
|
||||||
'Constitutive': options.phase,
|
'Constitutive': options.phase,
|
||||||
}
|
}
|
||||||
|
|
||||||
bg.set_message('parsing .output files...')
|
if options.verbose: bg.set_message('parsing .output files...')
|
||||||
|
|
||||||
for what in me:
|
for what in me:
|
||||||
outputFormat[what] = ParseOutputFormat(filename, what, me[what])
|
outputFormat[what] = ParseOutputFormat(filename, what, me[what])
|
||||||
|
|
@ -824,9 +830,10 @@ for what in me:
|
||||||
print("\nsection '{}' not found in <{}>".format(me[what], what))
|
print("\nsection '{}' not found in <{}>".format(me[what], what))
|
||||||
print('\n'.join(map(lambda x:' [%s]'%x, outputFormat[what]['specials']['brothers'])))
|
print('\n'.join(map(lambda x:' [%s]'%x, outputFormat[what]['specials']['brothers'])))
|
||||||
|
|
||||||
bg.set_message('opening result file...')
|
if options.verbose: bg.set_message('opening result file...')
|
||||||
|
|
||||||
p = OpenPostfile(filename+extension,options.filetype,options.nodal)
|
p = OpenPostfile(filename+extension,options.filetype,options.nodal)
|
||||||
bg.set_message('parsing result file...')
|
if options.verbose: bg.set_message('parsing result file...')
|
||||||
stat = ParsePostfile(p, filename, outputFormat)
|
stat = ParsePostfile(p, filename, outputFormat)
|
||||||
if options.filetype == 'marc':
|
if options.filetype == 'marc':
|
||||||
stat['NumberOfIncrements'] -= 1 # t16 contains one "virtual" increment (at 0)
|
stat['NumberOfIncrements'] -= 1 # t16 contains one "virtual" increment (at 0)
|
||||||
|
|
@ -870,8 +877,7 @@ if options.info:
|
||||||
|
|
||||||
elementsOfNode = {}
|
elementsOfNode = {}
|
||||||
for e in range(stat['NumberOfElements']):
|
for e in range(stat['NumberOfElements']):
|
||||||
if e%1000 == 0:
|
if options.verbose and e%1000 == 0: bg.set_message('connect elem %i...'%e)
|
||||||
bg.set_message('connect elem %i...'%e)
|
|
||||||
for n in map(p.node_sequence,p.element(e).items):
|
for n in map(p.node_sequence,p.element(e).items):
|
||||||
if n not in elementsOfNode:
|
if n not in elementsOfNode:
|
||||||
elementsOfNode[n] = [p.element_id(e)]
|
elementsOfNode[n] = [p.element_id(e)]
|
||||||
|
|
@ -893,8 +899,7 @@ memberCount = 0
|
||||||
|
|
||||||
if options.nodalScalar:
|
if options.nodalScalar:
|
||||||
for n in range(stat['NumberOfNodes']):
|
for n in range(stat['NumberOfNodes']):
|
||||||
if n%1000 == 0:
|
if options.verbose and n%1000 == 0: bg.set_message('scan node %i...'%n)
|
||||||
bg.set_message('scan node %i...'%n)
|
|
||||||
myNodeID = p.node_id(n)
|
myNodeID = p.node_id(n)
|
||||||
myNodeCoordinates = [p.node(n).x, p.node(n).y, p.node(n).z]
|
myNodeCoordinates = [p.node(n).x, p.node(n).y, p.node(n).z]
|
||||||
myElemID = 0
|
myElemID = 0
|
||||||
|
|
@ -928,8 +933,7 @@ if options.nodalScalar:
|
||||||
|
|
||||||
else:
|
else:
|
||||||
for e in range(stat['NumberOfElements']):
|
for e in range(stat['NumberOfElements']):
|
||||||
if e%1000 == 0:
|
if options.verbose and e%1000 == 0: bg.set_message('scan elem %i...'%e)
|
||||||
bg.set_message('scan elem %i...'%e)
|
|
||||||
myElemID = p.element_id(e)
|
myElemID = p.element_id(e)
|
||||||
myIpCoordinates = ipCoords(p.element(e).type, map(lambda node: [node.x, node.y, node.z],
|
myIpCoordinates = ipCoords(p.element(e).type, map(lambda node: [node.x, node.y, node.z],
|
||||||
map(p.node, map(p.node_sequence, p.element(e).items))))
|
map(p.node, map(p.node_sequence, p.element(e).items))))
|
||||||
|
|
@ -995,7 +999,7 @@ if 'none' not in map(str.lower, options.sort):
|
||||||
theKeys.append('x[0][%i]'%where[criterium])
|
theKeys.append('x[0][%i]'%where[criterium])
|
||||||
|
|
||||||
sortKeys = eval('lambda x:(%s)'%(','.join(theKeys)))
|
sortKeys = eval('lambda x:(%s)'%(','.join(theKeys)))
|
||||||
bg.set_message('sorting groups...')
|
if options.verbose: bg.set_message('sorting groups...')
|
||||||
groups.sort(key = sortKeys) # in-place sorting to save mem
|
groups.sort(key = sortKeys) # in-place sorting to save mem
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -1014,7 +1018,7 @@ standard = ['inc'] + \
|
||||||
|
|
||||||
# --------------------------- loop over positions --------------------------------
|
# --------------------------- loop over positions --------------------------------
|
||||||
|
|
||||||
bg.set_message('getting map between positions and increments...')
|
if options.verbose: bg.set_message('getting map between positions and increments...')
|
||||||
|
|
||||||
incAtPosition = {}
|
incAtPosition = {}
|
||||||
positionOfInc = {}
|
positionOfInc = {}
|
||||||
|
|
@ -1075,7 +1079,7 @@ for incCount,position in enumerate(locations): # walk through locations
|
||||||
member += 1
|
member += 1
|
||||||
if member%1000 == 0:
|
if member%1000 == 0:
|
||||||
time_delta = ((len(locations)*memberCount)/float(member+incCount*memberCount)-1.0)*(time.time()-time_start)
|
time_delta = ((len(locations)*memberCount)/float(member+incCount*memberCount)-1.0)*(time.time()-time_start)
|
||||||
bg.set_message('(%02i:%02i:%02i) processing point %i of %i from increment %i (position %i)...'
|
if options.verbose: bg.set_message('(%02i:%02i:%02i) processing point %i of %i from increment %i (position %i)...'
|
||||||
%(time_delta//3600,time_delta%3600//60,time_delta%60,member,memberCount,increments[incCount],position))
|
%(time_delta//3600,time_delta%3600//60,time_delta%60,member,memberCount,increments[incCount],position))
|
||||||
|
|
||||||
newby = [] # current member's data
|
newby = [] # current member's data
|
||||||
|
|
|
||||||
|
|
@ -52,7 +52,7 @@ parser.set_defaults(data = [],
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
if not options.vtk: parser.error('No VTK file specified.')
|
if not options.vtk: parser.error('no VTK file specified.')
|
||||||
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
||||||
|
|
||||||
if os.path.splitext(options.vtk)[1] == '.vtp':
|
if os.path.splitext(options.vtk)[1] == '.vtp':
|
||||||
|
|
@ -66,16 +66,16 @@ elif os.path.splitext(options.vtk)[1] == '.vtk':
|
||||||
reader.Update()
|
reader.Update()
|
||||||
Polydata = reader.GetPolyDataOutput()
|
Polydata = reader.GetPolyDataOutput()
|
||||||
else:
|
else:
|
||||||
parser.error('Unsupported VTK file type extension.')
|
parser.error('unsupported VTK file type extension.')
|
||||||
|
|
||||||
Npoints = Polydata.GetNumberOfPoints()
|
Npoints = Polydata.GetNumberOfPoints()
|
||||||
Ncells = Polydata.GetNumberOfCells()
|
Ncells = Polydata.GetNumberOfCells()
|
||||||
Nvertices = Polydata.GetNumberOfVerts()
|
Nvertices = Polydata.GetNumberOfVerts()
|
||||||
|
|
||||||
if Npoints != Ncells or Npoints != Nvertices:
|
if Npoints != Ncells or Npoints != Nvertices:
|
||||||
parser.error('Number of points, cells, and vertices in VTK differ from each other.')
|
parser.error('number of points, cells, and vertices in VTK differ from each other.')
|
||||||
|
|
||||||
damask.util.croak('{}: {} points, {} vertices, and {} cells...'.format(options.vtk,Npoints,Nvertices,Ncells))
|
damask.util.croak('{}: {} points/vertices/cells...'.format(options.vtk,Npoints))
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
# --- loop over input files -------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -97,16 +97,19 @@ for name in filenames:
|
||||||
VTKarray = {}
|
VTKarray = {}
|
||||||
active = defaultdict(list)
|
active = defaultdict(list)
|
||||||
|
|
||||||
for datatype,dimension,label in [['data',99,options.data],
|
for datatype,dimension,label in [['data',0,options.data],
|
||||||
['tensor',9,options.tensor],
|
['tensor',9,options.tensor],
|
||||||
['color' ,3,options.color],
|
['color' ,3,options.color],
|
||||||
]:
|
]:
|
||||||
for i,dim in enumerate(table.label_dimension(label)):
|
for i,dim in enumerate(table.label_dimension(label)):
|
||||||
me = label[i]
|
me = label[i]
|
||||||
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
|
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
|
||||||
elif dim > dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
elif dimension > 0 \
|
||||||
|
and dim != dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
||||||
else:
|
else:
|
||||||
remarks.append('adding {} "{}"...'.format(datatype,me))
|
remarks.append('adding {}{} "{}"...'.format(datatype if dim > 1 else 'scalar',
|
||||||
|
'' if dimension > 0 or dim == 1 else '[{}]'.format(dim),
|
||||||
|
me))
|
||||||
active[datatype].append(me)
|
active[datatype].append(me)
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
if remarks != []: damask.util.croak(remarks)
|
||||||
|
|
|
||||||
|
|
@ -55,7 +55,7 @@ parser.set_defaults(data = [],
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
if not options.vtk: parser.error('No VTK file specified.')
|
if not options.vtk: parser.error('no VTK file specified.')
|
||||||
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
if not os.path.exists(options.vtk): parser.error('VTK file does not exist.')
|
||||||
|
|
||||||
if os.path.splitext(options.vtk)[1] == '.vtr':
|
if os.path.splitext(options.vtk)[1] == '.vtr':
|
||||||
|
|
@ -69,7 +69,7 @@ elif os.path.splitext(options.vtk)[1] == '.vtk':
|
||||||
reader.Update()
|
reader.Update()
|
||||||
rGrid = reader.GetRectilinearGridOutput()
|
rGrid = reader.GetRectilinearGridOutput()
|
||||||
else:
|
else:
|
||||||
parser.error('Unsupported VTK file type extension.')
|
parser.error('unsupported VTK file type extension.')
|
||||||
|
|
||||||
Npoints = rGrid.GetNumberOfPoints()
|
Npoints = rGrid.GetNumberOfPoints()
|
||||||
Ncells = rGrid.GetNumberOfCells()
|
Ncells = rGrid.GetNumberOfCells()
|
||||||
|
|
@ -96,16 +96,19 @@ for name in filenames:
|
||||||
VTKarray = {}
|
VTKarray = {}
|
||||||
active = defaultdict(list)
|
active = defaultdict(list)
|
||||||
|
|
||||||
for datatype,dimension,label in [['data',99,options.data],
|
for datatype,dimension,label in [['data',0,options.data],
|
||||||
['tensor',9,options.tensor],
|
['tensor',9,options.tensor],
|
||||||
['color' ,3,options.color],
|
['color' ,3,options.color],
|
||||||
]:
|
]:
|
||||||
for i,dim in enumerate(table.label_dimension(label)):
|
for i,dim in enumerate(table.label_dimension(label)):
|
||||||
me = label[i]
|
me = label[i]
|
||||||
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
|
if dim == -1: remarks.append('{} "{}" not found...'.format(datatype,me))
|
||||||
elif dim > dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
elif dimension > 0 \
|
||||||
|
and dim != dimension: remarks.append('"{}" not of dimension {}...'.format(me,dimension))
|
||||||
else:
|
else:
|
||||||
remarks.append('adding {} "{}"...'.format(datatype,me))
|
remarks.append('adding {}{} "{}"...'.format(datatype if dim > 1 else 'scalar',
|
||||||
|
'' if dimension > 0 or dim == 1 else '[{}]'.format(dim),
|
||||||
|
me))
|
||||||
active[datatype].append(me)
|
active[datatype].append(me)
|
||||||
|
|
||||||
if remarks != []: damask.util.croak(remarks)
|
if remarks != []: damask.util.croak(remarks)
|
||||||
|
|
@ -141,7 +144,7 @@ for name in filenames:
|
||||||
if len(table.data) == Npoints: mode = 'point'
|
if len(table.data) == Npoints: mode = 'point'
|
||||||
elif len(table.data) == Ncells: mode = 'cell'
|
elif len(table.data) == Ncells: mode = 'cell'
|
||||||
else:
|
else:
|
||||||
damask.util.croak('Data count is incompatible with grid...')
|
damask.util.croak('data count is incompatible with grid...')
|
||||||
continue
|
continue
|
||||||
|
|
||||||
damask.util.croak('{} mode...'.format(mode))
|
damask.util.croak('{} mode...'.format(mode))
|
||||||
|
|
|
||||||
|
|
@ -61,7 +61,6 @@ for name in filenames:
|
||||||
# ------------------------------------------ process data ---------------------------------------
|
# ------------------------------------------ process data ---------------------------------------
|
||||||
|
|
||||||
table.data_readArray(options.pos)
|
table.data_readArray(options.pos)
|
||||||
if len(table.data.shape) < 2: table.data.shape += (1,) # expand to 2D shape
|
|
||||||
if table.data.shape[1] < 3:
|
if table.data.shape[1] < 3:
|
||||||
table.data = np.hstack((table.data,
|
table.data = np.hstack((table.data,
|
||||||
np.zeros((table.data.shape[0],
|
np.zeros((table.data.shape[0],
|
||||||
|
|
|
||||||
|
|
@ -70,7 +70,6 @@ for name in filenames:
|
||||||
# --------------- figure out size and grid ---------------------------------------------------------
|
# --------------- figure out size and grid ---------------------------------------------------------
|
||||||
|
|
||||||
table.data_readArray(options.pos)
|
table.data_readArray(options.pos)
|
||||||
if len(table.data.shape) < 2: table.data.shape += (1,) # expand to 2D shape
|
|
||||||
if table.data.shape[1] < 3:
|
if table.data.shape[1] < 3:
|
||||||
table.data = np.hstack((table.data,
|
table.data = np.hstack((table.data,
|
||||||
np.zeros((table.data.shape[0],
|
np.zeros((table.data.shape[0],
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,119 @@
|
||||||
|
#!/usr/bin/env python2.7
|
||||||
|
# -*- coding: UTF-8 no BOM -*-
|
||||||
|
|
||||||
|
import os,sys,math
|
||||||
|
from optparse import OptionParser
|
||||||
|
import damask
|
||||||
|
import pipes
|
||||||
|
|
||||||
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
# MAIN
|
||||||
|
# --------------------------------------------------------------------
|
||||||
|
|
||||||
|
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]',
|
||||||
|
description ='generate 3D RVE from .ang files of EBSD slices .',
|
||||||
|
version = scriptID)
|
||||||
|
|
||||||
|
parser.add_option('--offset',
|
||||||
|
dest='offset',
|
||||||
|
type='float',
|
||||||
|
help='offset of EBSD slices [%default]',
|
||||||
|
metavar='float')
|
||||||
|
parser.add_option('--outname',
|
||||||
|
dest='outName',
|
||||||
|
type='string',
|
||||||
|
help='output file name [%default]', metavar='string')
|
||||||
|
parser.add_option('--vtr',
|
||||||
|
action="store_true",
|
||||||
|
dest='vtr')
|
||||||
|
parser.add_option('--geom',
|
||||||
|
action="store_true",
|
||||||
|
dest='geom')
|
||||||
|
parser.set_defaults(offset = 1.0,
|
||||||
|
outName = 'RVE3D')
|
||||||
|
|
||||||
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
||||||
|
numFiles = len(filenames)
|
||||||
|
formatwidth = 1+int(math.log10(numFiles))
|
||||||
|
|
||||||
|
# copy original files to tmp files to not alter originals
|
||||||
|
for i in range(numFiles):
|
||||||
|
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
|
||||||
|
strCommand = 'cp ' + pipes.quote(filenames[i]) + ' ' + sliceID
|
||||||
|
os.system(strCommand)
|
||||||
|
|
||||||
|
# modify tmp files
|
||||||
|
print('Add z-coordinates')
|
||||||
|
for i in range(numFiles):
|
||||||
|
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
|
||||||
|
strCommand = 'OIMgrainFile_toTable ' + sliceID
|
||||||
|
os.system(strCommand)
|
||||||
|
strCommand = 'addCalculation --label 3Dpos --formula "np.array(#pos#.tolist()+[' + str(i*options.offset) + '])" ' + sliceID
|
||||||
|
os.system(strCommand)
|
||||||
|
|
||||||
|
# join temp files into one
|
||||||
|
|
||||||
|
print('\n Colocate files')
|
||||||
|
fileOut = open(options.outName + '.ang','w')
|
||||||
|
|
||||||
|
# take header information from 1st file
|
||||||
|
sliceID = 'slice' + str(0).zfill(formatwidth) + '.tmp'
|
||||||
|
fileRead = open(sliceID)
|
||||||
|
data = fileRead.readlines()
|
||||||
|
fileRead.close()
|
||||||
|
headerLines = int(data[0].split()[0])
|
||||||
|
fileOut.write(str(headerLines+1) + '\t header\n')
|
||||||
|
for line in data[1:headerLines]:
|
||||||
|
fileOut.write(line)
|
||||||
|
fileOut.write(scriptID + '\t' + ' '.join(sys.argv[1:]) + '\n')
|
||||||
|
for line in data[headerLines:]:
|
||||||
|
fileOut.write(line)
|
||||||
|
|
||||||
|
# append other files content without header
|
||||||
|
for i in range(numFiles-1):
|
||||||
|
sliceID = 'slice' + str(i+1).zfill(formatwidth) + '.tmp'
|
||||||
|
fileRead = open(sliceID)
|
||||||
|
data = fileRead.readlines()
|
||||||
|
fileRead.close()
|
||||||
|
headerLines = int(data[0].split()[0])
|
||||||
|
for line in data[headerLines+1:]:
|
||||||
|
fileOut.write(line)
|
||||||
|
fileOut.close()
|
||||||
|
|
||||||
|
# tidy up and add phase column
|
||||||
|
print('\n Remove temp data and add phase info')
|
||||||
|
strCommand = 'filterTable --black pos ' + options.outName + '.ang'
|
||||||
|
os.system(strCommand)
|
||||||
|
strCommand = 'reLabel --label 3Dpos --substitute pos ' + options.outName + '.ang'
|
||||||
|
os.system(strCommand)
|
||||||
|
strCommand = 'addCalculation -l phase -f 1 ' + options.outName + '.ang'
|
||||||
|
os.system(strCommand)
|
||||||
|
|
||||||
|
|
||||||
|
# create geom file when asked for
|
||||||
|
if options.geom:
|
||||||
|
print('\n Build geometry file')
|
||||||
|
strCommand = 'geom_fromTable --phase phase --eulers euler --coordinates pos ' + pipes.quote(options.outName) + '.ang'
|
||||||
|
os.system(strCommand)
|
||||||
|
|
||||||
|
# create paraview file when asked for
|
||||||
|
|
||||||
|
if options.vtr:
|
||||||
|
print('\n Build Paraview file')
|
||||||
|
strCommand = 'addIPFcolor --eulers euler --pole 0.0 0.0 1.0 ' + options.outName + '.ang'
|
||||||
|
os.system(strCommand)
|
||||||
|
strCommand = 'vtk_rectilinearGrid ' + pipes.quote(options.outName) + '.ang'
|
||||||
|
os.system(strCommand)
|
||||||
|
os.rename(pipes.quote(options.outName) + '_pos(cell)'+'.vtr', pipes.quote(options.outName) + '.vtr')
|
||||||
|
strCommand = 'vtk_addRectilinearGridData --vtk '+ pipes.quote(options.outName) + '.vtr --color IPF_001_cubic '\
|
||||||
|
+ pipes.quote(options.outName) + '.ang'
|
||||||
|
os.system(strCommand)
|
||||||
|
|
||||||
|
# delete tmp files
|
||||||
|
for i in range(numFiles):
|
||||||
|
sliceID = 'slice' + str(i).zfill(formatwidth) + '.tmp'
|
||||||
|
os.remove(sliceID)
|
||||||
|
|
@ -36,8 +36,9 @@ parser.add_option('-c', '--center', dest='center', type='float', nargs = 3,
|
||||||
parser.add_option('-d', '--dimension', dest='dimension', type='float', nargs = 3, metavar=' '.join(['float']*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),
|
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 \
|
help='i,j,k exponents for axes - 0 gives octahedron (|x|^(2^0) + |y|^(2^0) + |z|^(2^0) < 1), \
|
||||||
octahedron (|x| + |y| + |z| < 1). Large values produce boxes, 0 - 1 is concave. ')
|
1 gives a sphere (|x|^(2^1) + |y|^(2^1) + |z|^(2^1) < 1), \
|
||||||
|
large values produce boxes, negative turns 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),
|
||||||
|
|
@ -48,15 +49,14 @@ 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.add_option( '--nonperiodic', dest='periodic', action='store_false',
|
||||||
help = 'wrap around edges [%default]')
|
help = 'wrap around edges [%default]')
|
||||||
parser.add_option( '--voxelspace', dest='voxelspace', action='store_true',
|
parser.add_option( '--realspace', dest='realspace', action='store_true',
|
||||||
help = '-c and -d are given in (0 to grid) coordinates instead of (origin to origin+size) \
|
help = '-c and -d span [origin,origin+size] instead of [0,grid] coordinates')
|
||||||
coordinates [%default]')
|
|
||||||
parser.set_defaults(center = (.0,.0,.0),
|
parser.set_defaults(center = (.0,.0,.0),
|
||||||
fill = 0,
|
fill = 0,
|
||||||
degrees = False,
|
degrees = False,
|
||||||
exponent = (1e10,1e10,1e10), # box shape by default
|
exponent = (20,20,20), # box shape by default
|
||||||
periodic = True,
|
periodic = True,
|
||||||
voxelspace = False
|
realspace = False,
|
||||||
)
|
)
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
@ -74,14 +74,16 @@ else:
|
||||||
|
|
||||||
options.center = np.array(options.center)
|
options.center = np.array(options.center)
|
||||||
options.dimension = np.array(options.dimension)
|
options.dimension = np.array(options.dimension)
|
||||||
|
# undo logarithmic sense of exponent and generate ellipsoids for negative dimensions (backward compatibility)
|
||||||
|
options.exponent = np.where(np.array(options.dimension) > 0, np.power(2,options.exponent), 2)
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
# --- loop over input files -------------------------------------------------------------------------
|
||||||
if filenames == []: filenames = [None]
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
try: table = damask.ASCIItable(name = name,
|
||||||
table = damask.ASCIItable(name = name,
|
buffered = False,
|
||||||
buffered = False, labeled = False)
|
labeled = False)
|
||||||
except: continue
|
except: continue
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
|
|
@ -115,45 +117,42 @@ for name in filenames:
|
||||||
'microstructures': 0,
|
'microstructures': 0,
|
||||||
}
|
}
|
||||||
|
|
||||||
if options.fill == 0:
|
options.fill = microstructure.max()+1 if options.fill == 0 else options.fill
|
||||||
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')
|
||||||
|
|
||||||
# coordinates given in real space (default) vs voxel space
|
# coordinates given in real space (default) vs voxel space
|
||||||
if not options.voxelspace:
|
if options.realspace:
|
||||||
options.center += info['origin']
|
options.center -= info['origin']
|
||||||
options.center *= np.array(info['grid']) / np.array(info['size'])
|
options.center *= np.array(info['grid']) / np.array(info['size'])
|
||||||
options.dimension *= np.array(info['grid']) / np.array(info['size'])
|
options.dimension *= np.array(info['grid']) / np.array(info['size'])
|
||||||
|
|
||||||
size = microstructure.shape
|
grid = microstructure.shape
|
||||||
|
|
||||||
# change to coordinate space where the primitive is the unit sphere/cube/etc
|
# change to coordinate space where the primitive is the unit sphere/cube/etc
|
||||||
if options.periodic: # use padding to achieve periodicity
|
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
|
(X, Y, Z) = np.meshgrid(np.arange(-grid[0]/2, (3*grid[0])/2, dtype=np.float32), # 50% padding on each side
|
||||||
np.arange(-size[1]/2, (3*size[1])/2, dtype=np.float32),
|
np.arange(-grid[1]/2, (3*grid[1])/2, dtype=np.float32),
|
||||||
np.arange(-size[2]/2, (3*size[2])/2, dtype=np.float32),
|
np.arange(-grid[2]/2, (3*grid[2])/2, dtype=np.float32),
|
||||||
indexing='ij')
|
indexing='ij')
|
||||||
# Padding handling
|
# Padding handling
|
||||||
X = np.roll(np.roll(np.roll(X,
|
X = np.roll(np.roll(np.roll(X,
|
||||||
-size[0]/2, axis=0),
|
-grid[0]/2, axis=0),
|
||||||
-size[1]/2, axis=1),
|
-grid[1]/2, axis=1),
|
||||||
-size[2]/2, axis=2)
|
-grid[2]/2, axis=2)
|
||||||
Y = np.roll(np.roll(np.roll(Y,
|
Y = np.roll(np.roll(np.roll(Y,
|
||||||
-size[0]/2, axis=0),
|
-grid[0]/2, axis=0),
|
||||||
-size[1]/2, axis=1),
|
-grid[1]/2, axis=1),
|
||||||
-size[2]/2, axis=2)
|
-grid[2]/2, axis=2)
|
||||||
Z = np.roll(np.roll(np.roll(Z,
|
Z = np.roll(np.roll(np.roll(Z,
|
||||||
-size[0]/2, axis=0),
|
-grid[0]/2, axis=0),
|
||||||
-size[1]/2, axis=1),
|
-grid[1]/2, axis=1),
|
||||||
-size[2]/2, axis=2)
|
-grid[2]/2, axis=2)
|
||||||
else: # nonperiodic, much lighter on resources
|
else: # nonperiodic, much lighter on resources
|
||||||
# change to coordinate space where the primitive is the unit sphere/cube/etc
|
# 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),
|
(X, Y, Z) = np.meshgrid(np.arange(0, grid[0], dtype=np.float32),
|
||||||
np.arange(0, size[1], dtype=np.float32),
|
np.arange(0, grid[1], dtype=np.float32),
|
||||||
np.arange(0, size[2], dtype=np.float32),
|
np.arange(0, grid[2], dtype=np.float32),
|
||||||
indexing='ij')
|
indexing='ij')
|
||||||
|
|
||||||
# first by translating the center onto 0, 0.5 shifts the voxel origin onto the center of the voxel
|
# first by translating the center onto 0, 0.5 shifts the voxel origin onto the center of the voxel
|
||||||
|
|
@ -174,27 +173,27 @@ for name in filenames:
|
||||||
np.seterr(over='ignore', under='ignore')
|
np.seterr(over='ignore', under='ignore')
|
||||||
|
|
||||||
if options.periodic: # use padding to achieve periodicity
|
if options.periodic: # use padding to achieve periodicity
|
||||||
inside = np.zeros(size, dtype=bool)
|
inside = np.zeros(grid, dtype=bool)
|
||||||
for i in range(2):
|
for i in range(2):
|
||||||
for j in range(2):
|
for j in range(2):
|
||||||
for k in range(2):
|
for k in range(2):
|
||||||
inside = inside | ( # Most of this is handling the padding
|
inside = inside | ( # Most of this is handling the padding
|
||||||
np.abs(X[size[0] * i : size[0] * (i+1),
|
np.abs(X[grid[0] * i : grid[0] * (i+1),
|
||||||
size[1] * j : size[1] * (j+1),
|
grid[1] * j : grid[1] * (j+1),
|
||||||
size[2] * k : size[2] * (k+1)])**options.exponent[0] +
|
grid[2] * k : grid[2] * (k+1)])**options.exponent[0] +
|
||||||
np.abs(Y[size[0] * i : size[0] * (i+1),
|
np.abs(Y[grid[0] * i : grid[0] * (i+1),
|
||||||
size[1] * j : size[1] * (j+1),
|
grid[1] * j : grid[1] * (j+1),
|
||||||
size[2] * k : size[2] * (k+1)])**options.exponent[1] +
|
grid[2] * k : grid[2] * (k+1)])**options.exponent[1] +
|
||||||
np.abs(Z[size[0] * i : size[0] * (i+1),
|
np.abs(Z[grid[0] * i : grid[0] * (i+1),
|
||||||
size[1] * j : size[1] * (j+1),
|
grid[1] * j : grid[1] * (j+1),
|
||||||
size[2] * k : size[2] * (k+1)])**options.exponent[2] < 1)
|
grid[2] * k : grid[2] * (k+1)])**options.exponent[2] <= 1.0)
|
||||||
|
|
||||||
microstructure = np.where(inside, options.fill, microstructure)
|
microstructure = np.where(inside, options.fill, microstructure)
|
||||||
|
|
||||||
else: # nonperiodic, much lighter on resources
|
else: # nonperiodic, much lighter on resources
|
||||||
microstructure = np.where(np.abs(X)**options.exponent[0] +
|
microstructure = np.where(np.abs(X)**options.exponent[0] +
|
||||||
np.abs(Y)**options.exponent[1] +
|
np.abs(Y)**options.exponent[1] +
|
||||||
np.abs(Z)**options.exponent[2] < 1, options.fill, microstructure)
|
np.abs(Z)**options.exponent[2] <= 1.0, options.fill, microstructure)
|
||||||
|
|
||||||
np.seterr(**old_settings) # Reset warnings to old state
|
np.seterr(**old_settings) # Reset warnings to old state
|
||||||
newInfo['microstructures'] = microstructure.max()
|
newInfo['microstructures'] = microstructure.max()
|
||||||
|
|
@ -207,14 +206,13 @@ for name in filenames:
|
||||||
#--- write header ---------------------------------------------------------------------------------
|
#--- write header ---------------------------------------------------------------------------------
|
||||||
|
|
||||||
table.info_clear()
|
table.info_clear()
|
||||||
table.info_append([
|
table.info_append(extra_header+[
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
|
"grid\ta {}\tb {}\tc {}".format(*info['grid']),
|
||||||
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
|
"size\tx {}\ty {}\tz {}".format(*info['size']),
|
||||||
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
"origin\tx {}\ty {}\tz {}".format(*info['origin']),
|
||||||
"homogenization\t{homog}".format(homog=info['homogenization']),
|
"homogenization\t{}".format(info['homogenization']),
|
||||||
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
"microstructures\t{}".format(newInfo['microstructures']),
|
||||||
extra_header
|
|
||||||
])
|
])
|
||||||
table.labels_clear()
|
table.labels_clear()
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
|
||||||
|
|
@ -143,14 +143,13 @@ for name in filenames:
|
||||||
# --- write header ---------------------------------------------------------------------------------
|
# --- write header ---------------------------------------------------------------------------------
|
||||||
|
|
||||||
table.info_clear()
|
table.info_clear()
|
||||||
table.info_append([
|
table.info_append(extra_header+[
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
"grid\ta {}\tb {}\tc {}".format(*newInfo['grid']),
|
"grid\ta {}\tb {}\tc {}".format(*newInfo['grid']),
|
||||||
"size\tx {}\ty {}\tz {}".format(*newInfo['size']),
|
"size\tx {}\ty {}\tz {}".format(*newInfo['size']),
|
||||||
"origin\tx {}\ty {}\tz {}".format(*newInfo['origin']),
|
"origin\tx {}\ty {}\tz {}".format(*newInfo['origin']),
|
||||||
"homogenization\t{}".format(info['homogenization']),
|
"homogenization\t{}".format(info['homogenization']),
|
||||||
"microstructures\t{}".format(newInfo['microstructures']),
|
"microstructures\t{}".format(newInfo['microstructures']),
|
||||||
extra_header
|
|
||||||
])
|
])
|
||||||
table.labels_clear()
|
table.labels_clear()
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
|
||||||
|
|
@ -37,12 +37,9 @@ def findClosestSeed(fargs):
|
||||||
return np.argmin(dist) # seed point closest to point
|
return np.argmin(dist) # seed point closest to point
|
||||||
|
|
||||||
|
|
||||||
def laguerreTessellation(undeformed, coords, weights, grains, nonperiodic = False, cpus = 2):
|
def laguerreTessellation(undeformed, coords, weights, grains, periodic = True, cpus = 2):
|
||||||
|
|
||||||
copies = \
|
copies = \
|
||||||
np.array([
|
|
||||||
[ 0, 0, 0 ],
|
|
||||||
]).astype(float) if nonperiodic else \
|
|
||||||
np.array([
|
np.array([
|
||||||
[ -1,-1,-1 ],
|
[ -1,-1,-1 ],
|
||||||
[ 0,-1,-1 ],
|
[ 0,-1,-1 ],
|
||||||
|
|
@ -71,7 +68,10 @@ def laguerreTessellation(undeformed, coords, weights, grains, nonperiodic = Fals
|
||||||
[ -1, 1, 1 ],
|
[ -1, 1, 1 ],
|
||||||
[ 0, 1, 1 ],
|
[ 0, 1, 1 ],
|
||||||
[ 1, 1, 1 ],
|
[ 1, 1, 1 ],
|
||||||
]).astype(float)*info['size']
|
]).astype(float)*info['size'] if periodic else \
|
||||||
|
np.array([
|
||||||
|
[ 0, 0, 0 ],
|
||||||
|
]).astype(float)
|
||||||
|
|
||||||
repeatweights = np.tile(weights,len(copies)).flatten(order='F') # Laguerre weights (1,2,3,1,2,3,...,1,2,3)
|
repeatweights = np.tile(weights,len(copies)).flatten(order='F') # Laguerre weights (1,2,3,1,2,3,...,1,2,3)
|
||||||
for i,vec in enumerate(copies): # periodic copies of seed points ...
|
for i,vec in enumerate(copies): # periodic copies of seed points ...
|
||||||
|
|
@ -121,8 +121,8 @@ group.add_option('--cpus',
|
||||||
type = 'int', metavar = 'int',
|
type = 'int', metavar = 'int',
|
||||||
help = 'number of parallel processes to use for Laguerre tessellation [%default]')
|
help = 'number of parallel processes to use for Laguerre tessellation [%default]')
|
||||||
group.add_option('--nonperiodic',
|
group.add_option('--nonperiodic',
|
||||||
dest = 'nonperiodic',
|
dest = 'periodic',
|
||||||
action = 'store_true',
|
action = 'store_false',
|
||||||
help = 'nonperiodic tessellation')
|
help = 'nonperiodic tessellation')
|
||||||
|
|
||||||
parser.add_option_group(group)
|
parser.add_option_group(group)
|
||||||
|
|
@ -144,6 +144,10 @@ group.add_option('-o',
|
||||||
dest = 'origin',
|
dest = 'origin',
|
||||||
type = 'float', nargs = 3, metavar=' '.join(['float']*3),
|
type = 'float', nargs = 3, metavar=' '.join(['float']*3),
|
||||||
help = 'origin of grid')
|
help = 'origin of grid')
|
||||||
|
group.add_option('--nonnormalized',
|
||||||
|
dest = 'normalized',
|
||||||
|
action = 'store_false',
|
||||||
|
help = 'seed coordinates are not normalized to a unit cube')
|
||||||
|
|
||||||
parser.add_option_group(group)
|
parser.add_option_group(group)
|
||||||
|
|
||||||
|
|
@ -206,7 +210,8 @@ parser.set_defaults(pos = 'pos',
|
||||||
phase = 1,
|
phase = 1,
|
||||||
cpus = 2,
|
cpus = 2,
|
||||||
laguerre = False,
|
laguerre = False,
|
||||||
nonperiodic = False,
|
periodic = True,
|
||||||
|
normalized = True,
|
||||||
config = True,
|
config = True,
|
||||||
)
|
)
|
||||||
(options,filenames) = parser.parse_args()
|
(options,filenames) = parser.parse_args()
|
||||||
|
|
@ -248,7 +253,7 @@ for name in filenames:
|
||||||
for i in range(3):
|
for i in range(3):
|
||||||
if info['size'][i] <= 0.0: # any invalid size?
|
if info['size'][i] <= 0.0: # any invalid size?
|
||||||
info['size'][i] = float(info['grid'][i])/max(info['grid']) # normalize to grid
|
info['size'][i] = float(info['grid'][i])/max(info['grid']) # normalize to grid
|
||||||
remarks.append('rescaling size {} to {}...'.format({0:'x',1:'y',2:'z'}[i],info['size'][i]))
|
remarks.append('rescaling size {} to {}...'.format(['x','y','z'][i],info['size'][i]))
|
||||||
|
|
||||||
if table.label_dimension(options.pos) != 3:
|
if table.label_dimension(options.pos) != 3:
|
||||||
errors.append('seed positions "{}" have dimension {}.'.format(options.pos,
|
errors.append('seed positions "{}" have dimension {}.'.format(options.pos,
|
||||||
|
|
@ -256,6 +261,7 @@ for name in filenames:
|
||||||
else:
|
else:
|
||||||
labels += [options.pos]
|
labels += [options.pos]
|
||||||
|
|
||||||
|
if not options.normalized: remarks.append('using real-space seed coordinates...')
|
||||||
if not hasEulers: remarks.append('missing seed orientations...')
|
if not hasEulers: remarks.append('missing seed orientations...')
|
||||||
else: labels += [options.eulers]
|
else: labels += [options.eulers]
|
||||||
if not hasGrains: remarks.append('missing seed microstructure indices...')
|
if not hasGrains: remarks.append('missing seed microstructure indices...')
|
||||||
|
|
@ -272,7 +278,8 @@ for name in filenames:
|
||||||
# ------------------------------------------ read seeds ---------------------------------------
|
# ------------------------------------------ read seeds ---------------------------------------
|
||||||
|
|
||||||
table.data_readArray(labels)
|
table.data_readArray(labels)
|
||||||
coords = table.data[:,table.label_indexrange(options.pos)] * info['size']
|
coords = table.data[:,table.label_indexrange(options.pos)] * info['size'] if options.normalized \
|
||||||
|
else table.data[:,table.label_indexrange(options.pos)] - info['origin']
|
||||||
eulers = table.data[:,table.label_indexrange(options.eulers)] if hasEulers \
|
eulers = table.data[:,table.label_indexrange(options.eulers)] if hasEulers \
|
||||||
else np.zeros(3*len(coords))
|
else np.zeros(3*len(coords))
|
||||||
grains = table.data[:,table.label_indexrange(options.microstructure)].astype('i') if hasGrains \
|
grains = table.data[:,table.label_indexrange(options.microstructure)].astype('i') if hasGrains \
|
||||||
|
|
@ -291,7 +298,7 @@ for name in filenames:
|
||||||
damask.util.croak('tessellating...')
|
damask.util.croak('tessellating...')
|
||||||
|
|
||||||
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.periodic, options.cpus)
|
||||||
|
|
||||||
# --- write header ------------------------------------------------------------------------
|
# --- write header ------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -95,14 +95,13 @@ for name in filenames:
|
||||||
|
|
||||||
table.labels_clear()
|
table.labels_clear()
|
||||||
table.info_clear()
|
table.info_clear()
|
||||||
table.info_append([
|
table.info_append(extra_header+[
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
|
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
|
||||||
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
|
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
|
||||||
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
||||||
"homogenization\t{homog}".format(homog=info['homogenization']),
|
"homogenization\t{homog}".format(homog=info['homogenization']),
|
||||||
"microstructures\t{microstructures}".format(microstructures=info['microstructures']),
|
"microstructures\t{microstructures}".format(microstructures=info['microstructures']),
|
||||||
extra_header
|
|
||||||
])
|
])
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,102 @@
|
||||||
|
#!/usr/bin/env python2.7
|
||||||
|
# -*- coding: UTF-8 no BOM -*-
|
||||||
|
|
||||||
|
import os,sys,math
|
||||||
|
import numpy as np
|
||||||
|
import damask
|
||||||
|
from optparse import OptionParser
|
||||||
|
|
||||||
|
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||||
|
scriptID = ' '.join([scriptName,damask.version])
|
||||||
|
|
||||||
|
#--------------------------------------------------------------------------------------------------
|
||||||
|
# MAIN
|
||||||
|
#--------------------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
parser = OptionParser(option_class=damask.extendableOption, usage='%prog [file[s]]', description = """
|
||||||
|
renumber sorted microstructure indices to 1,...,N.
|
||||||
|
|
||||||
|
""", version=scriptID)
|
||||||
|
|
||||||
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
|
# --- loop over input files ----------------------------------------------------------------------
|
||||||
|
|
||||||
|
if filenames == []: filenames = [None]
|
||||||
|
|
||||||
|
for name in filenames:
|
||||||
|
try: table = damask.ASCIItable(name = name,
|
||||||
|
buffered = False,
|
||||||
|
labeled = False)
|
||||||
|
except: continue
|
||||||
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
|
# --- interpret header ---------------------------------------------------------------------------
|
||||||
|
|
||||||
|
table.head_read()
|
||||||
|
info,extra_header = table.head_getGeom()
|
||||||
|
|
||||||
|
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']))),
|
||||||
|
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
||||||
|
'homogenization: %i'%info['homogenization'],
|
||||||
|
'microstructures: %i'%info['microstructures'],
|
||||||
|
])
|
||||||
|
|
||||||
|
errors = []
|
||||||
|
if np.any(info['grid'] < 1): errors.append('invalid grid a b c.')
|
||||||
|
if np.any(info['size'] <= 0.0): errors.append('invalid size x y z.')
|
||||||
|
if errors != []:
|
||||||
|
damask.util.croak(errors)
|
||||||
|
table.close(dismiss = True)
|
||||||
|
continue
|
||||||
|
|
||||||
|
# --- read data ----------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
microstructure = table.microstructure_read(info['grid']) # read microstructure
|
||||||
|
|
||||||
|
# --- do work ------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
newInfo = {
|
||||||
|
'origin': np.zeros(3,'d'),
|
||||||
|
'microstructures': 0,
|
||||||
|
}
|
||||||
|
|
||||||
|
grainIDs = np.unique(microstructure)
|
||||||
|
renumbered = np.copy(microstructure)
|
||||||
|
|
||||||
|
for i, oldID in enumerate(grainIDs):
|
||||||
|
renumbered = np.where(microstructure == oldID, i+1, renumbered)
|
||||||
|
|
||||||
|
newInfo['microstructures'] = len(grainIDs)
|
||||||
|
|
||||||
|
# --- report -------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
remarks = []
|
||||||
|
if ( newInfo['microstructures'] != info['microstructures']):
|
||||||
|
remarks.append('--> microstructures: %i'%newInfo['microstructures'])
|
||||||
|
if remarks != []: damask.util.croak(remarks)
|
||||||
|
|
||||||
|
# --- write header -------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
table.labels_clear()
|
||||||
|
table.info_clear()
|
||||||
|
table.info_append(extra_header+[
|
||||||
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
|
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
|
||||||
|
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
|
||||||
|
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
||||||
|
"homogenization\t{homog}".format(homog=info['homogenization']),
|
||||||
|
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
||||||
|
])
|
||||||
|
table.head_write()
|
||||||
|
|
||||||
|
# --- write microstructure information -----------------------------------------------------------
|
||||||
|
|
||||||
|
format = '%{}i'.format(int(math.floor(math.log10(newInfo['microstructures'])+1)))
|
||||||
|
table.data = renumbered.reshape((info['grid'][0],info['grid'][1]*info['grid'][2]),order='F').transpose()
|
||||||
|
table.data_writeArray(format,delimiter = ' ')
|
||||||
|
|
||||||
|
# --- output finalization ------------------------------------------------------------------------
|
||||||
|
|
||||||
|
table.close() # close ASCII table
|
||||||
|
|
@ -139,14 +139,13 @@ for name in filenames:
|
||||||
# --- write header ---------------------------------------------------------------------------------
|
# --- write header ---------------------------------------------------------------------------------
|
||||||
|
|
||||||
table.info_clear()
|
table.info_clear()
|
||||||
table.info_append([
|
table.info_append(extra_header+[
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
|
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
|
||||||
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
|
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
|
||||||
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
||||||
"homogenization\t{homog}".format(homog=info['homogenization']),
|
"homogenization\t{homog}".format(homog=info['homogenization']),
|
||||||
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
||||||
extra_header
|
|
||||||
])
|
])
|
||||||
table.labels_clear()
|
table.labels_clear()
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
|
||||||
|
|
@ -49,16 +49,18 @@ parser.set_defaults(degrees = False,
|
||||||
|
|
||||||
(options, filenames) = parser.parse_args()
|
(options, filenames) = parser.parse_args()
|
||||||
|
|
||||||
if sum(x is not None for x in [options.rotation,options.eulers,options.matrix,options.quaternion]) !=1:
|
if sum(x is not None for x in [options.rotation,options.eulers,options.matrix,options.quaternion]) != 1:
|
||||||
parser.error('not exactly one rotation specified...')
|
parser.error('not exactly one rotation specified...')
|
||||||
|
|
||||||
toRadian = math.pi/180. if options.degrees else 1.0
|
|
||||||
eulers = np.array(damask.orientation.Orientation(
|
eulers = np.array(damask.orientation.Orientation(
|
||||||
quaternion=np.array(options.quaternion) if options.quaternion else None,
|
quaternion = np.array(options.quaternion) if options.quaternion else None,
|
||||||
angleAxis =np.array(options.rotation) if options.rotation else None,
|
angleAxis = np.array(options.rotation) if options.rotation else None,
|
||||||
matrix =np.array(options.matrix) if options.matrix else None,
|
matrix = np.array(options.matrix) if options.matrix else None,
|
||||||
Eulers =np.array(options.eulers)*toRadian if options.eulers else None
|
Eulers = np.array(options.eulers) if options.eulers else None,
|
||||||
).asEulers()) *180./math.pi
|
degrees = options.degrees,
|
||||||
|
).asEulers(degrees=True))
|
||||||
|
|
||||||
|
damask.util.croak('{} {} {}'.format(*eulers))
|
||||||
|
|
||||||
# --- loop over input files -------------------------------------------------------------------------
|
# --- loop over input files -------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -67,7 +69,8 @@ if filenames == []: filenames = [None]
|
||||||
for name in filenames:
|
for name in filenames:
|
||||||
try:
|
try:
|
||||||
table = damask.ASCIItable(name = name,
|
table = damask.ASCIItable(name = name,
|
||||||
buffered = False, labeled = False)
|
buffered = False,
|
||||||
|
labeled = False)
|
||||||
except: continue
|
except: continue
|
||||||
damask.util.report(scriptName,name)
|
damask.util.report(scriptName,name)
|
||||||
|
|
||||||
|
|
@ -76,11 +79,11 @@ for name in filenames:
|
||||||
table.head_read()
|
table.head_read()
|
||||||
info,extra_header = table.head_getGeom()
|
info,extra_header = table.head_getGeom()
|
||||||
|
|
||||||
damask.util.croak(['grid a b c: %s'%(' x '.join(map(str,info['grid']))),
|
damask.util.croak(['grid a b c: {}'.format(' x '.join(map(str,info['grid']))),
|
||||||
'size x y z: %s'%(' x '.join(map(str,info['size']))),
|
'size x y z: {}'.format(' x '.join(map(str,info['size']))),
|
||||||
'origin x y z: %s'%(' : '.join(map(str,info['origin']))),
|
'origin x y z: {}'.format(' : '.join(map(str,info['origin']))),
|
||||||
'homogenization: %i'%info['homogenization'],
|
'homogenization: {}'.format(info['homogenization']),
|
||||||
'microstructures: %i'%info['microstructures'],
|
'microstructures: {}'.format(info['microstructures']),
|
||||||
])
|
])
|
||||||
|
|
||||||
errors = []
|
errors = []
|
||||||
|
|
@ -95,10 +98,10 @@ for name in filenames:
|
||||||
|
|
||||||
microstructure = table.microstructure_read(info['grid']).reshape(info['grid'],order='F') # read microstructure
|
microstructure = table.microstructure_read(info['grid']).reshape(info['grid'],order='F') # read microstructure
|
||||||
|
|
||||||
newGrainID = options.fill if options.fill > 0 else microstructure.max()+1
|
newGrainID = options.fill if options.fill != 0 else microstructure.max()+1
|
||||||
microstructure = ndimage.rotate(microstructure,eulers[2],(0,1),order=0,output=int,cval=newGrainID) # rotation around Z
|
microstructure = ndimage.rotate(microstructure,eulers[2],(0,1),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around Z
|
||||||
microstructure = ndimage.rotate(microstructure,eulers[1],(1,2),order=0,output=int,cval=newGrainID) # rotation around X
|
microstructure = ndimage.rotate(microstructure,eulers[1],(1,2),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around X
|
||||||
microstructure = ndimage.rotate(microstructure,eulers[0],(0,1),order=0,output=int,cval=newGrainID) # rotation around Z
|
microstructure = ndimage.rotate(microstructure,eulers[0],(0,1),order=0,prefilter=False,output=int,cval=newGrainID) # rotation around Z
|
||||||
|
|
||||||
# --- do work ------------------------------------------------------------------------------------
|
# --- do work ------------------------------------------------------------------------------------
|
||||||
|
|
||||||
|
|
@ -124,14 +127,13 @@ for name in filenames:
|
||||||
|
|
||||||
table.labels_clear()
|
table.labels_clear()
|
||||||
table.info_clear()
|
table.info_clear()
|
||||||
table.info_append([
|
table.info_append(extra_header+[
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
|
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=newInfo['grid']),
|
||||||
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
|
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=newInfo['size']),
|
||||||
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
||||||
"homogenization\t{homog}".format(homog=info['homogenization']),
|
"homogenization\t{homog}".format(homog=info['homogenization']),
|
||||||
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
||||||
extra_header
|
|
||||||
])
|
])
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -112,14 +112,13 @@ for name in filenames:
|
||||||
|
|
||||||
table.labels_clear()
|
table.labels_clear()
|
||||||
table.info_clear()
|
table.info_clear()
|
||||||
table.info_append([
|
table.info_append(extra_header+[
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
|
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
|
||||||
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
|
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
|
||||||
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=newInfo['origin']),
|
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=newInfo['origin']),
|
||||||
"homogenization\t{homog}".format(homog=info['homogenization']),
|
"homogenization\t{homog}".format(homog=info['homogenization']),
|
||||||
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
||||||
extra_header
|
|
||||||
])
|
])
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -94,14 +94,13 @@ for name in filenames:
|
||||||
|
|
||||||
table.labels_clear()
|
table.labels_clear()
|
||||||
table.info_clear()
|
table.info_clear()
|
||||||
table.info_append([
|
table.info_append(extra_header+[
|
||||||
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
scriptID + ' ' + ' '.join(sys.argv[1:]),
|
||||||
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
|
"grid\ta {grid[0]}\tb {grid[1]}\tc {grid[2]}".format(grid=info['grid']),
|
||||||
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
|
"size\tx {size[0]}\ty {size[1]}\tz {size[2]}".format(size=info['size']),
|
||||||
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
"origin\tx {origin[0]}\ty {origin[1]}\tz {origin[2]}".format(origin=info['origin']),
|
||||||
"homogenization\t{homog}".format(homog=info['homogenization']),
|
"homogenization\t{homog}".format(homog=info['homogenization']),
|
||||||
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
"microstructures\t{microstructures}".format(microstructures=newInfo['microstructures']),
|
||||||
extra_header
|
|
||||||
])
|
])
|
||||||
table.head_write()
|
table.head_write()
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -31,7 +31,7 @@ parser.add_option('-b',
|
||||||
help = 'blacklist of grain IDs')
|
help = 'blacklist of grain IDs')
|
||||||
parser.add_option('-p',
|
parser.add_option('-p',
|
||||||
'--pos', '--seedposition',
|
'--pos', '--seedposition',
|
||||||
dest = 'position',
|
dest = 'pos',
|
||||||
type = 'string', metavar = 'string',
|
type = 'string', metavar = 'string',
|
||||||
help = 'label of coordinates [%default]')
|
help = 'label of coordinates [%default]')
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -113,7 +113,11 @@ end subroutine CPFEM_initAll
|
||||||
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine CPFEM_init
|
subroutine CPFEM_init
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pInt
|
pInt
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
|
|
|
||||||
|
|
@ -82,7 +82,11 @@ end subroutine CPFEM_initAll
|
||||||
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
!> @brief allocate the arrays defined in module CPFEM and initialize them
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine CPFEM_init
|
subroutine CPFEM_init
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pInt
|
pInt
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1 @@
|
||||||
|
DAMASK_marc.f90
|
||||||
|
|
@ -7,8 +7,11 @@
|
||||||
!> results
|
!> results
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
program DAMASK_spectral
|
program DAMASK_spectral
|
||||||
use, intrinsic :: &
|
#ifdef __GFORTRAN__
|
||||||
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pInt, &
|
pInt, &
|
||||||
pLongInt, &
|
pLongInt, &
|
||||||
|
|
|
||||||
|
|
@ -43,7 +43,11 @@ contains
|
||||||
!> solver the information is provided by the interface module
|
!> solver the information is provided by the interface module
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine FE_init
|
subroutine FE_init
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_level, &
|
debug_level, &
|
||||||
debug_FEsolving, &
|
debug_FEsolving, &
|
||||||
|
|
|
||||||
18
src/IO.f90
18
src/IO.f90
|
|
@ -81,7 +81,11 @@ contains
|
||||||
!> @brief only outputs revision number
|
!> @brief only outputs revision number
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine IO_init
|
subroutine IO_init
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
|
|
||||||
|
|
@ -1557,13 +1561,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
||||||
case (400_pInt)
|
case (400_pInt)
|
||||||
msg = 'matrix inversion error'
|
msg = 'matrix inversion error'
|
||||||
case (401_pInt)
|
case (401_pInt)
|
||||||
msg = 'math_check: quat -> axisAngle -> quat failed'
|
msg = 'math_check failed'
|
||||||
case (402_pInt)
|
|
||||||
msg = 'math_check: quat -> R -> quat failed'
|
|
||||||
case (403_pInt)
|
|
||||||
msg = 'math_check: quat -> euler -> quat failed'
|
|
||||||
case (404_pInt)
|
|
||||||
msg = 'math_check: R -> euler -> R failed'
|
|
||||||
case (405_pInt)
|
case (405_pInt)
|
||||||
msg = 'I_TO_HALTON-error: an input base BASE is <= 1'
|
msg = 'I_TO_HALTON-error: an input base BASE is <= 1'
|
||||||
case (406_pInt)
|
case (406_pInt)
|
||||||
|
|
@ -1587,12 +1585,14 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
||||||
case (601_pInt)
|
case (601_pInt)
|
||||||
msg = 'Ping-Pong needed when using non-local plasticity'
|
msg = 'Ping-Pong needed when using non-local plasticity'
|
||||||
case (602_pInt)
|
case (602_pInt)
|
||||||
msg = 'invalid element/IP/component (grain) selected for debug'
|
msg = 'invalid selection for debug'
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! DAMASK_marc errors
|
! DAMASK_marc errors
|
||||||
case (700_pInt)
|
case (700_pInt)
|
||||||
msg = 'invalid materialpoint result requested'
|
msg = 'invalid materialpoint result requested'
|
||||||
|
case (701_pInt)
|
||||||
|
msg = 'not supported input file format, use Marc 2016 or earlier'
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! errors related to spectral solver
|
! errors related to spectral solver
|
||||||
|
|
|
||||||
|
|
@ -37,7 +37,11 @@ contains
|
||||||
!> @brief allocates arrays pointing to array of the various constitutive modules
|
!> @brief allocates arrays pointing to array of the various constitutive modules
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine constitutive_init()
|
subroutine constitutive_init()
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pReal
|
pReal
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
|
|
||||||
|
|
@ -137,7 +137,11 @@ contains
|
||||||
!> @brief allocates and initialize per grain variables
|
!> @brief allocates and initialize per grain variables
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine crystallite_init
|
subroutine crystallite_init
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_info, &
|
debug_info, &
|
||||||
debug_reset, &
|
debug_reset, &
|
||||||
|
|
@ -3084,35 +3088,49 @@ logical function crystallite_stateJump(ipc,ip,el)
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), intent(in):: &
|
integer(pInt), intent(in):: &
|
||||||
el, & ! element index
|
el, & ! element index
|
||||||
ip, & ! integration point index
|
ip, & ! integration point index
|
||||||
ipc ! grain index
|
ipc ! grain index
|
||||||
|
|
||||||
integer(pInt) :: &
|
integer(pInt) :: &
|
||||||
c, &
|
c, &
|
||||||
p, &
|
p, &
|
||||||
mySource, &
|
mySource, &
|
||||||
|
myOffsetPlasticDeltaState, &
|
||||||
|
myOffsetSourceDeltaState, &
|
||||||
mySizePlasticDeltaState, &
|
mySizePlasticDeltaState, &
|
||||||
mySizeSourceDeltaState
|
mySizeSourceDeltaState
|
||||||
|
|
||||||
c= phasememberAt(ipc,ip,el)
|
c = phasememberAt(ipc,ip,el)
|
||||||
p = phaseAt(ipc,ip,el)
|
p = phaseAt(ipc,ip,el)
|
||||||
|
|
||||||
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe(1:3,1:3,ipc,ip,el), ipc,ip,el)
|
call constitutive_collectDeltaState(crystallite_Tstar_v(1:6,ipc,ip,el), crystallite_Fe(1:3,1:3,ipc,ip,el), ipc,ip,el)
|
||||||
mySizePlasticDeltaState = plasticState(p)%sizeDeltaState
|
|
||||||
if( any(IEEE_is_NaN(plasticState(p)%deltaState(:,c)))) then ! NaN occured in deltaState
|
myOffsetPlasticDeltaState = plasticState(p)%offsetDeltaState
|
||||||
|
mySizePlasticDeltaState = plasticState(p)%sizeDeltaState
|
||||||
|
|
||||||
|
if( any(IEEE_is_NaN(plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)))) then ! NaN occured in deltaState
|
||||||
crystallite_stateJump = .false.
|
crystallite_stateJump = .false.
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
plasticState(p)%state(1:mySizePlasticDeltaState,c) = plasticState(p)%state(1:mySizePlasticDeltaState,c) + &
|
|
||||||
plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
|
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
|
||||||
|
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) = &
|
||||||
|
plasticState(p)%state(myOffsetPlasticDeltaState + 1_pInt : &
|
||||||
|
myOffsetPlasticDeltaState + mySizePlasticDeltaState,c) + &
|
||||||
|
plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
|
||||||
|
|
||||||
do mySource = 1_pInt, phase_Nsources(p)
|
do mySource = 1_pInt, phase_Nsources(p)
|
||||||
mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState
|
myOffsetSourceDeltaState = sourceState(p)%p(mySource)%offsetDeltaState
|
||||||
if( any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(:,c)))) then ! NaN occured in deltaState
|
mySizeSourceDeltaState = sourceState(p)%p(mySource)%sizeDeltaState
|
||||||
|
if (any(IEEE_is_NaN(sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)))) then ! NaN occured in deltaState
|
||||||
crystallite_stateJump = .false.
|
crystallite_stateJump = .false.
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
sourceState(p)%p(mySource)%state(1:mySizeSourceDeltaState,c) = &
|
sourceState(p)%p(mySource)%state(myOffsetSourceDeltaState + 1_pInt : &
|
||||||
sourceState(p)%p(mySource)%state(1:mySizeSourceDeltaState,c) + &
|
myOffsetSourceDeltaState + mySizeSourceDeltaState,c) = &
|
||||||
|
sourceState(p)%p(mySource)%state(myOffsetSourceDeltaState + 1_pInt : &
|
||||||
|
myOffsetSourceDeltaState + mySizeSourceDeltaState,c) + &
|
||||||
sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)
|
sourceState(p)%p(mySource)%deltaState(1:mySizeSourceDeltaState,c)
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
|
|
@ -3123,7 +3141,9 @@ logical function crystallite_stateJump(ipc,ip,el)
|
||||||
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
.or. .not. iand(debug_level(debug_crystallite), debug_levelSelective) /= 0_pInt)) then
|
||||||
write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc
|
write(6,'(a,i8,1x,i2,1x,i3, /)') '<< CRYST >> update state at el ip ipc ',el,ip,ipc
|
||||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
|
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> deltaState', plasticState(p)%deltaState(1:mySizePlasticDeltaState,c)
|
||||||
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', plasticState(p)%state (1:mySizePlasticDeltaState,c)
|
write(6,'(a,/,(12x,12(e12.5,1x)),/)') '<< CRYST >> new state', &
|
||||||
|
plasticState(p)%state(myOffsetSourceDeltaState + 1_pInt : &
|
||||||
|
myOffsetSourceDeltaState + mySizeSourceDeltaState,c)
|
||||||
endif
|
endif
|
||||||
#endif
|
#endif
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,11 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine damage_local_init(fileUnit)
|
subroutine damage_local_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_read, &
|
IO_read, &
|
||||||
IO_lc, &
|
IO_lc, &
|
||||||
|
|
|
||||||
|
|
@ -16,7 +16,11 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine damage_none_init()
|
subroutine damage_none_init()
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pInt
|
pInt
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
|
|
|
||||||
|
|
@ -46,7 +46,11 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine damage_nonlocal_init(fileUnit)
|
subroutine damage_nonlocal_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_read, &
|
IO_read, &
|
||||||
IO_lc, &
|
IO_lc, &
|
||||||
|
|
|
||||||
|
|
@ -102,7 +102,11 @@ contains
|
||||||
!> @brief reads in parameters from debug.config and allocates arrays
|
!> @brief reads in parameters from debug.config and allocates arrays
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine debug_init
|
subroutine debug_init
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use numerics, only: &
|
use numerics, only: &
|
||||||
nStress, &
|
nStress, &
|
||||||
nState, &
|
nState, &
|
||||||
|
|
|
||||||
|
|
@ -71,7 +71,11 @@ contains
|
||||||
!> @brief module initialization
|
!> @brief module initialization
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_init
|
subroutine homogenization_init
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use math, only: &
|
use math, only: &
|
||||||
math_I3
|
math_I3
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
|
@ -471,7 +475,7 @@ subroutine homogenization_init
|
||||||
flush(6)
|
flush(6)
|
||||||
|
|
||||||
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
|
if (debug_g < 1 .or. debug_g > homogenization_Ngrains(mesh_element(3,debug_e))) &
|
||||||
call IO_error(602_pInt,ext_msg='component (grain)')
|
call IO_error(602_pInt,ext_msg='component (grain)', el=debug_e, g=debug_g)
|
||||||
|
|
||||||
end subroutine homogenization_init
|
end subroutine homogenization_init
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -72,7 +72,11 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_RGC_init(fileUnit)
|
subroutine homogenization_RGC_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pReal, &
|
pReal, &
|
||||||
pInt
|
pInt
|
||||||
|
|
|
||||||
|
|
@ -49,7 +49,11 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_isostrain_init(fileUnit)
|
subroutine homogenization_isostrain_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pReal
|
pReal
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
|
|
|
||||||
|
|
@ -18,7 +18,11 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine homogenization_none_init()
|
subroutine homogenization_none_init()
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pReal, &
|
pReal, &
|
||||||
pInt
|
pInt
|
||||||
|
|
|
||||||
|
|
@ -51,7 +51,11 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine hydrogenflux_cahnhilliard_init(fileUnit)
|
subroutine hydrogenflux_cahnhilliard_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_read, &
|
IO_read, &
|
||||||
IO_lc, &
|
IO_lc, &
|
||||||
|
|
|
||||||
|
|
@ -16,7 +16,11 @@ contains
|
||||||
!> @brief allocates all neccessary fields, reads information from material configuration file
|
!> @brief allocates all neccessary fields, reads information from material configuration file
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine hydrogenflux_isoconc_init()
|
subroutine hydrogenflux_isoconc_init()
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pReal, &
|
pReal, &
|
||||||
pInt
|
pInt
|
||||||
|
|
|
||||||
|
|
@ -51,7 +51,11 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_cleavage_opening_init(fileUnit)
|
subroutine kinematics_cleavage_opening_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_level,&
|
debug_level,&
|
||||||
debug_constitutive,&
|
debug_constitutive,&
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,11 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_hydrogen_strain_init(fileUnit)
|
subroutine kinematics_hydrogen_strain_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_level,&
|
debug_level,&
|
||||||
debug_constitutive,&
|
debug_constitutive,&
|
||||||
|
|
|
||||||
|
|
@ -51,7 +51,11 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_slipplane_opening_init(fileUnit)
|
subroutine kinematics_slipplane_opening_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_level,&
|
debug_level,&
|
||||||
debug_constitutive,&
|
debug_constitutive,&
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,11 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_thermal_expansion_init(fileUnit)
|
subroutine kinematics_thermal_expansion_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_level,&
|
debug_level,&
|
||||||
debug_constitutive,&
|
debug_constitutive,&
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,11 @@ contains
|
||||||
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
!> @details reads in material parameters, allocates arrays, and does sanity checks
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine kinematics_vacancy_strain_init(fileUnit)
|
subroutine kinematics_vacancy_strain_init(fileUnit)
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use debug, only: &
|
use debug, only: &
|
||||||
debug_level,&
|
debug_level,&
|
||||||
debug_constitutive,&
|
debug_constitutive,&
|
||||||
|
|
|
||||||
|
|
@ -1243,7 +1243,11 @@ contains
|
||||||
!> @brief Module initialization
|
!> @brief Module initialization
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine lattice_init
|
subroutine lattice_init
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_open_file,&
|
IO_open_file,&
|
||||||
IO_open_jobFile_stat, &
|
IO_open_jobFile_stat, &
|
||||||
|
|
|
||||||
|
|
@ -367,7 +367,11 @@ contains
|
||||||
!> material.config
|
!> material.config
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine material_init()
|
subroutine material_init()
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
IO_error, &
|
IO_error, &
|
||||||
IO_open_file, &
|
IO_open_file, &
|
||||||
|
|
|
||||||
745
src/math.f90
745
src/math.f90
|
|
@ -3,10 +3,9 @@
|
||||||
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
|
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
|
||||||
!> @brief Mathematical library, including random number generation and tensor represenations
|
!> @brief Mathematical library, including random number generation and tensor representations
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
module math
|
module math
|
||||||
use, intrinsic :: iso_c_binding
|
|
||||||
use prec, only: &
|
use prec, only: &
|
||||||
pReal, &
|
pReal, &
|
||||||
pInt
|
pInt
|
||||||
|
|
@ -162,13 +161,10 @@ module math
|
||||||
math_rotate_forward3333, &
|
math_rotate_forward3333, &
|
||||||
math_limit
|
math_limit
|
||||||
private :: &
|
private :: &
|
||||||
math_partition, &
|
|
||||||
halton, &
|
halton, &
|
||||||
halton_memory, &
|
halton_memory, &
|
||||||
halton_ndim_set, &
|
halton_ndim_set, &
|
||||||
halton_seed_set, &
|
halton_seed_set
|
||||||
i_to_halton, &
|
|
||||||
prime
|
|
||||||
|
|
||||||
contains
|
contains
|
||||||
|
|
||||||
|
|
@ -177,23 +173,21 @@ contains
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine math_init
|
subroutine math_init
|
||||||
|
|
||||||
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
use prec, only: tol_math_check
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
use numerics, only: &
|
compiler_version, &
|
||||||
fixedSeed
|
compiler_options
|
||||||
use IO, only: IO_error, IO_timeStamp
|
#endif
|
||||||
|
use numerics, only: fixedSeed
|
||||||
|
use IO, only: IO_timeStamp
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt) :: i
|
integer(pInt) :: i
|
||||||
real(pReal), dimension(3,3) :: R,R2
|
real(pReal), dimension(4) :: randTest
|
||||||
real(pReal), dimension(3) :: Eulers,v
|
|
||||||
real(pReal), dimension(4) :: q,q2,axisangle,randTest
|
|
||||||
! the following variables are system dependend and shound NOT be pInt
|
! the following variables are system dependend and shound NOT be pInt
|
||||||
integer :: randSize ! gfortran requires a variable length to compile
|
integer :: randSize ! gfortran requires a variable length to compile
|
||||||
integer, dimension(:), allocatable :: randInit ! if recalculations of former randomness (with given seed) is necessary
|
integer, dimension(:), allocatable :: randInit ! if recalculations of former randomness (with given seed) is necessary
|
||||||
! comment the first random_seed call out, set randSize to 1, and use ifort
|
! comment the first random_seed call out, set randSize to 1, and use ifort
|
||||||
character(len=64) :: error_msg
|
|
||||||
|
|
||||||
write(6,'(/,a)') ' <<<+- math init -+>>>'
|
write(6,'(/,a)') ' <<<+- math 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"
|
||||||
|
|
@ -216,7 +210,7 @@ subroutine math_init
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
write(6,'(a,I2)') ' size of random seed: ', randSize
|
write(6,'(a,I2)') ' size of random seed: ', randSize
|
||||||
do i =1, randSize
|
do i = 1_pInt,randSize
|
||||||
write(6,'(a,I2,I14)') ' value of random seed: ', i, randInit(i)
|
write(6,'(a,I2,I14)') ' value of random seed: ', i, randInit(i)
|
||||||
enddo
|
enddo
|
||||||
write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest
|
write(6,'(a,4(/,26x,f17.14),/)') ' start of random sequence: ', randTest
|
||||||
|
|
@ -226,6 +220,25 @@ subroutine math_init
|
||||||
call halton_seed_set(int(randInit(1), pInt))
|
call halton_seed_set(int(randInit(1), pInt))
|
||||||
call halton_ndim_set(3_pInt)
|
call halton_ndim_set(3_pInt)
|
||||||
|
|
||||||
|
call math_check()
|
||||||
|
|
||||||
|
end subroutine math_init
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief check correctness of (some) math functions
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
subroutine math_check
|
||||||
|
|
||||||
|
use prec, only: tol_math_check
|
||||||
|
use IO, only: IO_error
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
character(len=64) :: error_msg
|
||||||
|
|
||||||
|
real(pReal), dimension(3,3) :: R,R2
|
||||||
|
real(pReal), dimension(3) :: Eulers,v
|
||||||
|
real(pReal), dimension(4) :: q,q2,axisangle
|
||||||
|
|
||||||
! --- check rotation dictionary ---
|
! --- check rotation dictionary ---
|
||||||
|
|
||||||
q = math_qRand() ! random quaternion
|
q = math_qRand() ! random quaternion
|
||||||
|
|
@ -235,7 +248,8 @@ subroutine math_init
|
||||||
q2 = math_axisAngleToQ(axisangle(1:3),axisangle(4))
|
q2 = math_axisAngleToQ(axisangle(1:3),axisangle(4))
|
||||||
if ( any(abs( q-q2) > tol_math_check) .and. &
|
if ( any(abs( q-q2) > tol_math_check) .and. &
|
||||||
any(abs(-q-q2) > tol_math_check) ) then
|
any(abs(-q-q2) > tol_math_check) ) then
|
||||||
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
|
write (error_msg, '(a,e14.6)' ) &
|
||||||
|
'quat -> axisAngle -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
|
||||||
call IO_error(401_pInt,ext_msg=error_msg)
|
call IO_error(401_pInt,ext_msg=error_msg)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
|
@ -244,8 +258,9 @@ subroutine math_init
|
||||||
q2 = math_RtoQ(R)
|
q2 = math_RtoQ(R)
|
||||||
if ( any(abs( q-q2) > tol_math_check) .and. &
|
if ( any(abs( q-q2) > tol_math_check) .and. &
|
||||||
any(abs(-q-q2) > tol_math_check) ) then
|
any(abs(-q-q2) > tol_math_check) ) then
|
||||||
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
|
write (error_msg, '(a,e14.6)' ) &
|
||||||
call IO_error(402_pInt,ext_msg=error_msg)
|
'quat -> R -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
|
||||||
|
call IO_error(401_pInt,ext_msg=error_msg)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
! +++ q -> euler -> q +++
|
! +++ q -> euler -> q +++
|
||||||
|
|
@ -253,28 +268,46 @@ subroutine math_init
|
||||||
q2 = math_EulerToQ(Eulers)
|
q2 = math_EulerToQ(Eulers)
|
||||||
if ( any(abs( q-q2) > tol_math_check) .and. &
|
if ( any(abs( q-q2) > tol_math_check) .and. &
|
||||||
any(abs(-q-q2) > tol_math_check) ) then
|
any(abs(-q-q2) > tol_math_check) ) then
|
||||||
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
|
write (error_msg, '(a,e14.6)' ) &
|
||||||
call IO_error(403_pInt,ext_msg=error_msg)
|
'quat -> euler -> quat maximum deviation ',min(maxval(abs( q-q2)),maxval(abs(-q-q2)))
|
||||||
|
call IO_error(401_pInt,ext_msg=error_msg)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
! +++ R -> euler -> R +++
|
! +++ R -> euler -> R +++
|
||||||
Eulers = math_RtoEuler(R)
|
Eulers = math_RtoEuler(R)
|
||||||
R2 = math_EulerToR(Eulers)
|
R2 = math_EulerToR(Eulers)
|
||||||
if ( any(abs( R-R2) > tol_math_check) ) then
|
if ( any(abs( R-R2) > tol_math_check) ) then
|
||||||
write (error_msg, '(a,e14.6)' ) 'maximum deviation ',maxval(abs( R-R2))
|
write (error_msg, '(a,e14.6)' ) &
|
||||||
call IO_error(404_pInt,ext_msg=error_msg)
|
'R -> euler -> R maximum deviation ',maxval(abs( R-R2))
|
||||||
|
call IO_error(401_pInt,ext_msg=error_msg)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
! +++ check rotation sense of q and R +++
|
! +++ check rotation sense of q and R +++
|
||||||
q = math_qRand() ! random quaternion
|
|
||||||
call halton(3_pInt,v) ! random vector
|
call halton(3_pInt,v) ! random vector
|
||||||
R = math_qToR(q)
|
R = math_qToR(q)
|
||||||
if (any(abs(math_mul33x3(R,v) - math_qRot(q,v)) > tol_math_check)) then
|
if (any(abs(math_mul33x3(R,v) - math_qRot(q,v)) > tol_math_check)) then
|
||||||
write(6,'(a,4(f8.3,1x))') 'q',q
|
write (error_msg, '(a)' ) 'R(q)*v has different sense than q*v'
|
||||||
call IO_error(409_pInt)
|
call IO_error(401_pInt,ext_msg=error_msg)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end subroutine math_init
|
! +++ check vector expansion +++
|
||||||
|
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,3.0_pReal,3.0_pReal,3.0_pReal] - &
|
||||||
|
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1_pInt,2_pInt,3_pInt,0_pInt])) > tol_math_check)) then
|
||||||
|
write (error_msg, '(a)' ) 'math_expand [1,2,3] by [1,2,3,0] => [1,2,2,3,3,3]'
|
||||||
|
call IO_error(401_pInt,ext_msg=error_msg)
|
||||||
|
endif
|
||||||
|
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal] - &
|
||||||
|
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1_pInt,2_pInt])) > tol_math_check)) then
|
||||||
|
write (error_msg, '(a)' ) 'math_expand [1,2,3] by [1,2] => [1,2,2]'
|
||||||
|
call IO_error(401_pInt,ext_msg=error_msg)
|
||||||
|
endif
|
||||||
|
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,1.0_pReal,1.0_pReal,1.0_pReal] - &
|
||||||
|
math_expand([1.0_pReal,2.0_pReal],[1_pInt,2_pInt,3_pInt])) > tol_math_check)) then
|
||||||
|
write (error_msg, '(a)' ) 'math_expand [1,2] by [1,2,3] => [1,2,2,1,1,1]'
|
||||||
|
call IO_error(401_pInt,ext_msg=error_msg)
|
||||||
|
endif
|
||||||
|
|
||||||
|
end subroutine math_check
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -290,58 +323,73 @@ recursive subroutine math_qsort(a, istart, iend)
|
||||||
integer(pInt) :: ipivot
|
integer(pInt) :: ipivot
|
||||||
|
|
||||||
if (istart < iend) then
|
if (istart < iend) then
|
||||||
ipivot = math_partition(a,istart, iend)
|
ipivot = qsort_partition(a,istart, iend)
|
||||||
call math_qsort(a, istart, ipivot-1_pInt)
|
call math_qsort(a, istart, ipivot-1_pInt)
|
||||||
call math_qsort(a, ipivot+1_pInt, iend)
|
call math_qsort(a, ipivot+1_pInt, iend)
|
||||||
endif
|
endif
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
contains
|
||||||
|
|
||||||
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief Partitioning required for quicksort
|
||||||
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
integer(pInt) function qsort_partition(a, istart, iend)
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), dimension(:,:), intent(inout) :: a
|
||||||
|
integer(pInt), intent(in) :: istart,iend
|
||||||
|
integer(pInt) :: i,j,k,tmp
|
||||||
|
|
||||||
|
do
|
||||||
|
! find the first element on the right side less than or equal to the pivot point
|
||||||
|
do j = iend, istart, -1_pInt
|
||||||
|
if (a(1,j) <= a(1,istart)) exit
|
||||||
|
enddo
|
||||||
|
! find the first element on the left side greater than the pivot point
|
||||||
|
do i = istart, iend
|
||||||
|
if (a(1,i) > a(1,istart)) exit
|
||||||
|
enddo
|
||||||
|
if (i < j) then ! if the indexes do not cross, exchange values
|
||||||
|
do k = 1_pInt, int(size(a,1_pInt), pInt)
|
||||||
|
tmp = a(k,i)
|
||||||
|
a(k,i) = a(k,j)
|
||||||
|
a(k,j) = tmp
|
||||||
|
enddo
|
||||||
|
else ! if they do cross, exchange left value with pivot and return with the partition index
|
||||||
|
do k = 1_pInt, int(size(a,1_pInt), pInt)
|
||||||
|
tmp = a(k,istart)
|
||||||
|
a(k,istart) = a(k,j)
|
||||||
|
a(k,j) = tmp
|
||||||
|
enddo
|
||||||
|
qsort_partition = j
|
||||||
|
return
|
||||||
|
endif
|
||||||
|
enddo
|
||||||
|
|
||||||
|
end function qsort_partition
|
||||||
|
|
||||||
end subroutine math_qsort
|
end subroutine math_qsort
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief Partitioning required for quicksort
|
!> @brief vector expansion
|
||||||
|
!> @details takes a set of numbers (a,b,c,...) and corresponding multiples (x,y,z,...)
|
||||||
|
!> to return a vector of x times a, y times b, z times c, ...
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
integer(pInt) function math_partition(a, istart, iend)
|
pure function math_expand(what,how)
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), dimension(:,:), intent(inout) :: a
|
real(pReal), dimension(:), intent(in) :: what
|
||||||
integer(pInt), intent(in) :: istart,iend
|
integer(pInt), dimension(:), intent(in) :: how
|
||||||
integer(pInt) :: d,i,j,k,x,tmp
|
real(pReal), dimension(sum(how)) :: math_expand
|
||||||
|
integer(pInt) :: i
|
||||||
|
|
||||||
d = int(size(a,1_pInt), pInt) ! number of linked data
|
do i = 1_pInt, size(how)
|
||||||
! set the starting and ending points, and the pivot point
|
math_expand(sum(how(1:i-1))+1:sum(how(1:i))) = what(mod(i-1_pInt,size(what))+1_pInt)
|
||||||
|
|
||||||
i = istart
|
|
||||||
|
|
||||||
j = iend
|
|
||||||
x = a(1,istart)
|
|
||||||
do
|
|
||||||
! find the first element on the right side less than or equal to the pivot point
|
|
||||||
do j = j, istart, -1_pInt
|
|
||||||
if (a(1,j) <= x) exit
|
|
||||||
enddo
|
|
||||||
! find the first element on the left side greater than the pivot point
|
|
||||||
do i = i, iend
|
|
||||||
if (a(1,i) > x) exit
|
|
||||||
enddo
|
|
||||||
if (i < j) then ! if the indexes do not cross, exchange values
|
|
||||||
do k = 1_pInt,d
|
|
||||||
tmp = a(k,i)
|
|
||||||
a(k,i) = a(k,j)
|
|
||||||
a(k,j) = tmp
|
|
||||||
enddo
|
|
||||||
else ! if they do cross, exchange left value with pivot and return with the partition index
|
|
||||||
do k = 1_pInt,d
|
|
||||||
tmp = a(k,istart)
|
|
||||||
a(k,istart) = a(k,j)
|
|
||||||
a(k,j) = tmp
|
|
||||||
enddo
|
|
||||||
math_partition = j
|
|
||||||
return
|
|
||||||
endif
|
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
end function math_partition
|
end function math_expand
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
@ -658,22 +706,20 @@ end function math_mul66x6
|
||||||
pure function math_exp33(A,n)
|
pure function math_exp33(A,n)
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt) :: i,order
|
integer(pInt) :: i
|
||||||
integer(pInt), intent(in), optional :: n
|
integer(pInt), intent(in), optional :: n
|
||||||
real(pReal), dimension(3,3), intent(in) :: A
|
real(pReal), dimension(3,3), intent(in) :: A
|
||||||
real(pReal), dimension(3,3) :: B,math_exp33
|
real(pReal), dimension(3,3) :: B, math_exp33
|
||||||
real(pReal) :: invfac
|
real(pReal) :: invFac
|
||||||
|
|
||||||
order = merge(n,5_pInt,present(n))
|
|
||||||
|
|
||||||
B = math_I3 ! init
|
B = math_I3 ! init
|
||||||
invfac = 1.0_pReal ! 0!
|
invFac = 1.0_pReal ! 0!
|
||||||
math_exp33 = B ! A^0 = eye2
|
math_exp33 = B ! A^0 = eye2
|
||||||
|
|
||||||
do i = 1_pInt,n
|
do i = 1_pInt, merge(n,5_pInt,present(n))
|
||||||
invfac = invfac/real(i,pReal) ! invfac = 1/i!
|
invFac = invFac/real(i,pReal) ! invfac = 1/i!
|
||||||
B = math_mul33x33(B,A)
|
B = math_mul33x33(B,A)
|
||||||
math_exp33 = math_exp33 + invfac*B ! exp = SUM (A^i)/i!
|
math_exp33 = math_exp33 + invFac*B ! exp = SUM (A^i)/i!
|
||||||
enddo
|
enddo
|
||||||
|
|
||||||
end function math_exp33
|
end function math_exp33
|
||||||
|
|
@ -1972,6 +2018,7 @@ subroutine math_eigenValuesVectorsSym33(m,values,vectors)
|
||||||
|
|
||||||
! Calculate third eigenvector according to v[2] = v[0] x v[1]
|
! Calculate third eigenvector according to v[2] = v[0] x v[1]
|
||||||
vectors(1:3,3) = math_crossproduct(vectors(1:3,1),vectors(1:3,2))
|
vectors(1:3,3) = math_crossproduct(vectors(1:3,1),vectors(1:3,2))
|
||||||
|
|
||||||
end subroutine math_eigenValuesVectorsSym33
|
end subroutine math_eigenValuesVectorsSym33
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -2211,6 +2258,7 @@ function math_eigenvaluesSym33(m)
|
||||||
cos((phi+4.0_pReal*PI)/3.0_pReal) &
|
cos((phi+4.0_pReal*PI)/3.0_pReal) &
|
||||||
] + invariants(1)/3.0_pReal
|
] + invariants(1)/3.0_pReal
|
||||||
endif
|
endif
|
||||||
|
|
||||||
end function math_eigenvaluesSym33
|
end function math_eigenvaluesSym33
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -2254,6 +2302,52 @@ subroutine halton(ndim, r)
|
||||||
value_halton(1) = 1_pInt
|
value_halton(1) = 1_pInt
|
||||||
call halton_memory ('INC', 'SEED', 1_pInt, value_halton)
|
call halton_memory ('INC', 'SEED', 1_pInt, value_halton)
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
contains
|
||||||
|
|
||||||
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief computes an element of a Halton sequence.
|
||||||
|
!> @details Only the absolute value of SEED is considered. SEED = 0 is allowed, and returns R = 0.
|
||||||
|
!> @details Halton Bases should be distinct prime numbers. This routine only checks that each base
|
||||||
|
!> @details is greater than 1.
|
||||||
|
!> @details Reference:
|
||||||
|
!> @details J.H. Halton: On the efficiency of certain quasi-random sequences of points in evaluating
|
||||||
|
!> @details multi-dimensional integrals, Numerische Mathematik, Volume 2, pages 84-90, 1960.
|
||||||
|
!> @author John Burkardt
|
||||||
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
subroutine i_to_halton (seed, base, ndim, r)
|
||||||
|
use IO, only: &
|
||||||
|
IO_error
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in) :: &
|
||||||
|
ndim, & !< dimension of the sequence
|
||||||
|
seed !< index of the desired element
|
||||||
|
integer(pInt), intent(in), dimension(ndim) :: base !< Halton bases
|
||||||
|
real(pReal), intent(out), dimension(ndim) :: r !< the SEED-th element of the Halton sequence for the given bases
|
||||||
|
|
||||||
|
real(pReal), dimension(ndim) :: base_inv
|
||||||
|
integer(pInt), dimension(ndim) :: &
|
||||||
|
digit, &
|
||||||
|
seed2
|
||||||
|
|
||||||
|
seed2 = abs(seed)
|
||||||
|
r = 0.0_pReal
|
||||||
|
|
||||||
|
if (any (base(1:ndim) <= 1_pInt)) call IO_error(error_ID=405_pInt)
|
||||||
|
|
||||||
|
base_inv(1:ndim) = 1.0_pReal / real (base(1:ndim), pReal)
|
||||||
|
|
||||||
|
do while ( any ( seed2(1:ndim) /= 0_pInt) )
|
||||||
|
digit(1:ndim) = mod ( seed2(1:ndim), base(1:ndim))
|
||||||
|
r(1:ndim) = r(1:ndim) + real ( digit(1:ndim), pReal) * base_inv(1:ndim)
|
||||||
|
base_inv(1:ndim) = base_inv(1:ndim) / real ( base(1:ndim), pReal)
|
||||||
|
seed2(1:ndim) = seed2(1:ndim) / base(1:ndim)
|
||||||
|
enddo
|
||||||
|
|
||||||
|
end subroutine i_to_halton
|
||||||
|
|
||||||
|
|
||||||
end subroutine halton
|
end subroutine halton
|
||||||
|
|
||||||
|
|
||||||
|
|
@ -2270,6 +2364,8 @@ end subroutine halton
|
||||||
!> @author John Burkardt
|
!> @author John Burkardt
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
|
subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
|
||||||
|
use IO, only: &
|
||||||
|
IO_lc
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
character(len = *), intent(in) :: &
|
character(len = *), intent(in) :: &
|
||||||
|
|
@ -2279,8 +2375,8 @@ subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
|
||||||
integer(pInt), allocatable, save, dimension(:) :: base
|
integer(pInt), allocatable, save, dimension(:) :: base
|
||||||
logical, save :: first_call = .true.
|
logical, save :: first_call = .true.
|
||||||
integer(pInt), intent(in) :: ndim !< dimension of the quantity
|
integer(pInt), intent(in) :: ndim !< dimension of the quantity
|
||||||
integer(pInt):: i
|
|
||||||
integer(pInt), save :: ndim_save = 0_pInt, seed = 1_pInt
|
integer(pInt), save :: ndim_save = 0_pInt, seed = 1_pInt
|
||||||
|
integer(pInt) :: i
|
||||||
|
|
||||||
if (first_call) then
|
if (first_call) then
|
||||||
ndim_save = 1_pInt
|
ndim_save = 1_pInt
|
||||||
|
|
@ -2291,60 +2387,237 @@ subroutine halton_memory (action_halton, name_halton, ndim, value_halton)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! Set
|
! Set
|
||||||
if(action_halton(1:1) == 'S' .or. action_halton(1:1) == 's') then
|
actionHalton: if(IO_lc(action_halton(1:1)) == 's') then
|
||||||
|
|
||||||
if(name_halton(1:1) == 'B' .or. name_halton(1:1) == 'b') then
|
|
||||||
|
|
||||||
if(ndim_save /= ndim) then
|
|
||||||
deallocate(base)
|
|
||||||
ndim_save = ndim
|
|
||||||
allocate(base(ndim_save))
|
|
||||||
endif
|
|
||||||
|
|
||||||
base(1:ndim) = value_halton(1:ndim)
|
|
||||||
|
|
||||||
elseif(name_halton(1:1) == 'N' .or. name_halton(1:1) == 'n') then
|
|
||||||
|
|
||||||
|
nameSet: if(IO_lc(name_halton(1:1)) == 'b') then
|
||||||
|
if(ndim_save /= ndim) ndim_save = ndim
|
||||||
|
base = value_halton(1:ndim)
|
||||||
|
elseif(IO_lc(name_halton(1:1)) == 'n') then nameSet
|
||||||
if(ndim_save /= value_halton(1)) then
|
if(ndim_save /= value_halton(1)) then
|
||||||
deallocate(base)
|
|
||||||
ndim_save = value_halton(1)
|
ndim_save = value_halton(1)
|
||||||
allocate(base(ndim_save))
|
base = [(prime(i),i=1_pInt,ndim_save)]
|
||||||
do i = 1_pInt, ndim_save
|
|
||||||
base(i) = prime (i)
|
|
||||||
enddo
|
|
||||||
else
|
else
|
||||||
ndim_save = value_halton(1)
|
ndim_save = value_halton(1)
|
||||||
endif
|
endif
|
||||||
elseif(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
|
elseif(IO_lc(name_halton(1:1)) == 's') then nameSet
|
||||||
seed = value_halton(1)
|
seed = value_halton(1)
|
||||||
endif
|
endif nameSet
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! Get
|
! Get
|
||||||
elseif(action_halton(1:1) == 'G' .or. action_halton(1:1) == 'g') then
|
elseif(IO_lc(action_halton(1:1)) == 'g') then actionHalton
|
||||||
if(name_halton(1:1) == 'B' .or. name_halton(1:1) == 'b') then
|
nameGet: if(IO_lc(name_halton(1:1)) == 'b') then
|
||||||
if(ndim /= ndim_save) then
|
if(ndim /= ndim_save) then
|
||||||
deallocate(base)
|
ndim_save = ndim
|
||||||
ndim_save = ndim
|
base = [(prime(i),i=1_pInt,ndim_save)]
|
||||||
allocate(base(ndim_save))
|
|
||||||
do i = 1_pInt, ndim_save
|
|
||||||
base(i) = prime(i)
|
|
||||||
enddo
|
|
||||||
endif
|
endif
|
||||||
value_halton(1:ndim_save) = base(1:ndim_save)
|
value_halton(1:ndim_save) = base(1:ndim_save)
|
||||||
elseif(name_halton(1:1) == 'N' .or. name_halton(1:1) == 'n') then
|
elseif(IO_lc(name_halton(1:1)) == 'n') then nameGet
|
||||||
value_halton(1) = ndim_save
|
value_halton(1) = ndim_save
|
||||||
elseif(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
|
elseif(IO_lc(name_halton(1:1)) == 's') then nameGet
|
||||||
value_halton(1) = seed
|
value_halton(1) = seed
|
||||||
endif
|
endif nameGet
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! Increment
|
! Increment
|
||||||
elseif(action_halton(1:1) == 'I' .or. action_halton(1:1) == 'i') then
|
elseif(IO_lc(action_halton(1:1)) == 'i') then actionHalton
|
||||||
if(name_halton(1:1) == 'S' .or. name_halton(1:1) == 's') then
|
if(IO_lc(name_halton(1:1)) == 's') seed = seed + value_halton(1)
|
||||||
seed = seed + value_halton(1)
|
endif actionHalton
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
contains
|
||||||
|
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
!> @brief returns any of the first 1500 prime numbers.
|
||||||
|
!> @details n = 0 is legal, returning PRIME = 1.
|
||||||
|
!> @details Reference:
|
||||||
|
!> @details Milton Abramowitz and Irene Stegun: Handbook of Mathematical Functions,
|
||||||
|
!> @details US Department of Commerce, 1964, pages 870-873.
|
||||||
|
!> @details Daniel Zwillinger: CRC Standard Mathematical Tables and Formulae,
|
||||||
|
!> @details 30th Edition, CRC Press, 1996, pages 95-98.
|
||||||
|
!> @author John Burkardt
|
||||||
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
integer(pInt) function prime(n)
|
||||||
|
use IO, only: &
|
||||||
|
IO_error
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
integer(pInt), intent(in) :: n !< index of the desired prime number
|
||||||
|
integer(pInt), dimension(0:1500), parameter :: &
|
||||||
|
npvec = int([&
|
||||||
|
1, &
|
||||||
|
2, 3, 5, 7, 11, 13, 17, 19, 23, 29, &
|
||||||
|
31, 37, 41, 43, 47, 53, 59, 61, 67, 71, &
|
||||||
|
73, 79, 83, 89, 97, 101, 103, 107, 109, 113, &
|
||||||
|
127, 131, 137, 139, 149, 151, 157, 163, 167, 173, &
|
||||||
|
179, 181, 191, 193, 197, 199, 211, 223, 227, 229, &
|
||||||
|
233, 239, 241, 251, 257, 263, 269, 271, 277, 281, &
|
||||||
|
283, 293, 307, 311, 313, 317, 331, 337, 347, 349, &
|
||||||
|
353, 359, 367, 373, 379, 383, 389, 397, 401, 409, &
|
||||||
|
419, 421, 431, 433, 439, 443, 449, 457, 461, 463, &
|
||||||
|
467, 479, 487, 491, 499, 503, 509, 521, 523, 541, &
|
||||||
|
! 101:200
|
||||||
|
547, 557, 563, 569, 571, 577, 587, 593, 599, 601, &
|
||||||
|
607, 613, 617, 619, 631, 641, 643, 647, 653, 659, &
|
||||||
|
661, 673, 677, 683, 691, 701, 709, 719, 727, 733, &
|
||||||
|
739, 743, 751, 757, 761, 769, 773, 787, 797, 809, &
|
||||||
|
811, 821, 823, 827, 829, 839, 853, 857, 859, 863, &
|
||||||
|
877, 881, 883, 887, 907, 911, 919, 929, 937, 941, &
|
||||||
|
947, 953, 967, 971, 977, 983, 991, 997, 1009, 1013, &
|
||||||
|
1019, 1021, 1031, 1033, 1039, 1049, 1051, 1061, 1063, 1069, &
|
||||||
|
1087, 1091, 1093, 1097, 1103, 1109, 1117, 1123, 1129, 1151, &
|
||||||
|
1153, 1163, 1171, 1181, 1187, 1193, 1201, 1213, 1217, 1223, &
|
||||||
|
! 201:300
|
||||||
|
1229, 1231, 1237, 1249, 1259, 1277, 1279, 1283, 1289, 1291, &
|
||||||
|
1297, 1301, 1303, 1307, 1319, 1321, 1327, 1361, 1367, 1373, &
|
||||||
|
1381, 1399, 1409, 1423, 1427, 1429, 1433, 1439, 1447, 1451, &
|
||||||
|
1453, 1459, 1471, 1481, 1483, 1487, 1489, 1493, 1499, 1511, &
|
||||||
|
1523, 1531, 1543, 1549, 1553, 1559, 1567, 1571, 1579, 1583, &
|
||||||
|
1597, 1601, 1607, 1609, 1613, 1619, 1621, 1627, 1637, 1657, &
|
||||||
|
1663, 1667, 1669, 1693, 1697, 1699, 1709, 1721, 1723, 1733, &
|
||||||
|
1741, 1747, 1753, 1759, 1777, 1783, 1787, 1789, 1801, 1811, &
|
||||||
|
1823, 1831, 1847, 1861, 1867, 1871, 1873, 1877, 1879, 1889, &
|
||||||
|
1901, 1907, 1913, 1931, 1933, 1949, 1951, 1973, 1979, 1987, &
|
||||||
|
! 301:400
|
||||||
|
1993, 1997, 1999, 2003, 2011, 2017, 2027, 2029, 2039, 2053, &
|
||||||
|
2063, 2069, 2081, 2083, 2087, 2089, 2099, 2111, 2113, 2129, &
|
||||||
|
2131, 2137, 2141, 2143, 2153, 2161, 2179, 2203, 2207, 2213, &
|
||||||
|
2221, 2237, 2239, 2243, 2251, 2267, 2269, 2273, 2281, 2287, &
|
||||||
|
2293, 2297, 2309, 2311, 2333, 2339, 2341, 2347, 2351, 2357, &
|
||||||
|
2371, 2377, 2381, 2383, 2389, 2393, 2399, 2411, 2417, 2423, &
|
||||||
|
2437, 2441, 2447, 2459, 2467, 2473, 2477, 2503, 2521, 2531, &
|
||||||
|
2539, 2543, 2549, 2551, 2557, 2579, 2591, 2593, 2609, 2617, &
|
||||||
|
2621, 2633, 2647, 2657, 2659, 2663, 2671, 2677, 2683, 2687, &
|
||||||
|
2689, 2693, 2699, 2707, 2711, 2713, 2719, 2729, 2731, 2741, &
|
||||||
|
! 401:500
|
||||||
|
2749, 2753, 2767, 2777, 2789, 2791, 2797, 2801, 2803, 2819, &
|
||||||
|
2833, 2837, 2843, 2851, 2857, 2861, 2879, 2887, 2897, 2903, &
|
||||||
|
2909, 2917, 2927, 2939, 2953, 2957, 2963, 2969, 2971, 2999, &
|
||||||
|
3001, 3011, 3019, 3023, 3037, 3041, 3049, 3061, 3067, 3079, &
|
||||||
|
3083, 3089, 3109, 3119, 3121, 3137, 3163, 3167, 3169, 3181, &
|
||||||
|
3187, 3191, 3203, 3209, 3217, 3221, 3229, 3251, 3253, 3257, &
|
||||||
|
3259, 3271, 3299, 3301, 3307, 3313, 3319, 3323, 3329, 3331, &
|
||||||
|
3343, 3347, 3359, 3361, 3371, 3373, 3389, 3391, 3407, 3413, &
|
||||||
|
3433, 3449, 3457, 3461, 3463, 3467, 3469, 3491, 3499, 3511, &
|
||||||
|
3517, 3527, 3529, 3533, 3539, 3541, 3547, 3557, 3559, 3571, &
|
||||||
|
! 501:600
|
||||||
|
3581, 3583, 3593, 3607, 3613, 3617, 3623, 3631, 3637, 3643, &
|
||||||
|
3659, 3671, 3673, 3677, 3691, 3697, 3701, 3709, 3719, 3727, &
|
||||||
|
3733, 3739, 3761, 3767, 3769, 3779, 3793, 3797, 3803, 3821, &
|
||||||
|
3823, 3833, 3847, 3851, 3853, 3863, 3877, 3881, 3889, 3907, &
|
||||||
|
3911, 3917, 3919, 3923, 3929, 3931, 3943, 3947, 3967, 3989, &
|
||||||
|
4001, 4003, 4007, 4013, 4019, 4021, 4027, 4049, 4051, 4057, &
|
||||||
|
4073, 4079, 4091, 4093, 4099, 4111, 4127, 4129, 4133, 4139, &
|
||||||
|
4153, 4157, 4159, 4177, 4201, 4211, 4217, 4219, 4229, 4231, &
|
||||||
|
4241, 4243, 4253, 4259, 4261, 4271, 4273, 4283, 4289, 4297, &
|
||||||
|
4327, 4337, 4339, 4349, 4357, 4363, 4373, 4391, 4397, 4409, &
|
||||||
|
! 601:700
|
||||||
|
4421, 4423, 4441, 4447, 4451, 4457, 4463, 4481, 4483, 4493, &
|
||||||
|
4507, 4513, 4517, 4519, 4523, 4547, 4549, 4561, 4567, 4583, &
|
||||||
|
4591, 4597, 4603, 4621, 4637, 4639, 4643, 4649, 4651, 4657, &
|
||||||
|
4663, 4673, 4679, 4691, 4703, 4721, 4723, 4729, 4733, 4751, &
|
||||||
|
4759, 4783, 4787, 4789, 4793, 4799, 4801, 4813, 4817, 4831, &
|
||||||
|
4861, 4871, 4877, 4889, 4903, 4909, 4919, 4931, 4933, 4937, &
|
||||||
|
4943, 4951, 4957, 4967, 4969, 4973, 4987, 4993, 4999, 5003, &
|
||||||
|
5009, 5011, 5021, 5023, 5039, 5051, 5059, 5077, 5081, 5087, &
|
||||||
|
5099, 5101, 5107, 5113, 5119, 5147, 5153, 5167, 5171, 5179, &
|
||||||
|
5189, 5197, 5209, 5227, 5231, 5233, 5237, 5261, 5273, 5279, &
|
||||||
|
! 701:800
|
||||||
|
5281, 5297, 5303, 5309, 5323, 5333, 5347, 5351, 5381, 5387, &
|
||||||
|
5393, 5399, 5407, 5413, 5417, 5419, 5431, 5437, 5441, 5443, &
|
||||||
|
5449, 5471, 5477, 5479, 5483, 5501, 5503, 5507, 5519, 5521, &
|
||||||
|
5527, 5531, 5557, 5563, 5569, 5573, 5581, 5591, 5623, 5639, &
|
||||||
|
5641, 5647, 5651, 5653, 5657, 5659, 5669, 5683, 5689, 5693, &
|
||||||
|
5701, 5711, 5717, 5737, 5741, 5743, 5749, 5779, 5783, 5791, &
|
||||||
|
5801, 5807, 5813, 5821, 5827, 5839, 5843, 5849, 5851, 5857, &
|
||||||
|
5861, 5867, 5869, 5879, 5881, 5897, 5903, 5923, 5927, 5939, &
|
||||||
|
5953, 5981, 5987, 6007, 6011, 6029, 6037, 6043, 6047, 6053, &
|
||||||
|
6067, 6073, 6079, 6089, 6091, 6101, 6113, 6121, 6131, 6133, &
|
||||||
|
! 801:900
|
||||||
|
6143, 6151, 6163, 6173, 6197, 6199, 6203, 6211, 6217, 6221, &
|
||||||
|
6229, 6247, 6257, 6263, 6269, 6271, 6277, 6287, 6299, 6301, &
|
||||||
|
6311, 6317, 6323, 6329, 6337, 6343, 6353, 6359, 6361, 6367, &
|
||||||
|
6373, 6379, 6389, 6397, 6421, 6427, 6449, 6451, 6469, 6473, &
|
||||||
|
6481, 6491, 6521, 6529, 6547, 6551, 6553, 6563, 6569, 6571, &
|
||||||
|
6577, 6581, 6599, 6607, 6619, 6637, 6653, 6659, 6661, 6673, &
|
||||||
|
6679, 6689, 6691, 6701, 6703, 6709, 6719, 6733, 6737, 6761, &
|
||||||
|
6763, 6779, 6781, 6791, 6793, 6803, 6823, 6827, 6829, 6833, &
|
||||||
|
6841, 6857, 6863, 6869, 6871, 6883, 6899, 6907, 6911, 6917, &
|
||||||
|
6947, 6949, 6959, 6961, 6967, 6971, 6977, 6983, 6991, 6997, &
|
||||||
|
! 901:1000
|
||||||
|
7001, 7013, 7019, 7027, 7039, 7043, 7057, 7069, 7079, 7103, &
|
||||||
|
7109, 7121, 7127, 7129, 7151, 7159, 7177, 7187, 7193, 7207, &
|
||||||
|
7211, 7213, 7219, 7229, 7237, 7243, 7247, 7253, 7283, 7297, &
|
||||||
|
7307, 7309, 7321, 7331, 7333, 7349, 7351, 7369, 7393, 7411, &
|
||||||
|
7417, 7433, 7451, 7457, 7459, 7477, 7481, 7487, 7489, 7499, &
|
||||||
|
7507, 7517, 7523, 7529, 7537, 7541, 7547, 7549, 7559, 7561, &
|
||||||
|
7573, 7577, 7583, 7589, 7591, 7603, 7607, 7621, 7639, 7643, &
|
||||||
|
7649, 7669, 7673, 7681, 7687, 7691, 7699, 7703, 7717, 7723, &
|
||||||
|
7727, 7741, 7753, 7757, 7759, 7789, 7793, 7817, 7823, 7829, &
|
||||||
|
7841, 7853, 7867, 7873, 7877, 7879, 7883, 7901, 7907, 7919, &
|
||||||
|
! 1001:1100
|
||||||
|
7927, 7933, 7937, 7949, 7951, 7963, 7993, 8009, 8011, 8017, &
|
||||||
|
8039, 8053, 8059, 8069, 8081, 8087, 8089, 8093, 8101, 8111, &
|
||||||
|
8117, 8123, 8147, 8161, 8167, 8171, 8179, 8191, 8209, 8219, &
|
||||||
|
8221, 8231, 8233, 8237, 8243, 8263, 8269, 8273, 8287, 8291, &
|
||||||
|
8293, 8297, 8311, 8317, 8329, 8353, 8363, 8369, 8377, 8387, &
|
||||||
|
8389, 8419, 8423, 8429, 8431, 8443, 8447, 8461, 8467, 8501, &
|
||||||
|
8513, 8521, 8527, 8537, 8539, 8543, 8563, 8573, 8581, 8597, &
|
||||||
|
8599, 8609, 8623, 8627, 8629, 8641, 8647, 8663, 8669, 8677, &
|
||||||
|
8681, 8689, 8693, 8699, 8707, 8713, 8719, 8731, 8737, 8741, &
|
||||||
|
8747, 8753, 8761, 8779, 8783, 8803, 8807, 8819, 8821, 8831, &
|
||||||
|
! 1101:1200
|
||||||
|
8837, 8839, 8849, 8861, 8863, 8867, 8887, 8893, 8923, 8929, &
|
||||||
|
8933, 8941, 8951, 8963, 8969, 8971, 8999, 9001, 9007, 9011, &
|
||||||
|
9013, 9029, 9041, 9043, 9049, 9059, 9067, 9091, 9103, 9109, &
|
||||||
|
9127, 9133, 9137, 9151, 9157, 9161, 9173, 9181, 9187, 9199, &
|
||||||
|
9203, 9209, 9221, 9227, 9239, 9241, 9257, 9277, 9281, 9283, &
|
||||||
|
9293, 9311, 9319, 9323, 9337, 9341, 9343, 9349, 9371, 9377, &
|
||||||
|
9391, 9397, 9403, 9413, 9419, 9421, 9431, 9433, 9437, 9439, &
|
||||||
|
9461, 9463, 9467, 9473, 9479, 9491, 9497, 9511, 9521, 9533, &
|
||||||
|
9539, 9547, 9551, 9587, 9601, 9613, 9619, 9623, 9629, 9631, &
|
||||||
|
9643, 9649, 9661, 9677, 9679, 9689, 9697, 9719, 9721, 9733, &
|
||||||
|
! 1201:1300
|
||||||
|
9739, 9743, 9749, 9767, 9769, 9781, 9787, 9791, 9803, 9811, &
|
||||||
|
9817, 9829, 9833, 9839, 9851, 9857, 9859, 9871, 9883, 9887, &
|
||||||
|
9901, 9907, 9923, 9929, 9931, 9941, 9949, 9967, 9973, 10007, &
|
||||||
|
10009, 10037, 10039, 10061, 10067, 10069, 10079, 10091, 10093, 10099, &
|
||||||
|
10103, 10111, 10133, 10139, 10141, 10151, 10159, 10163, 10169, 10177, &
|
||||||
|
10181, 10193, 10211, 10223, 10243, 10247, 10253, 10259, 10267, 10271, &
|
||||||
|
10273, 10289, 10301, 10303, 10313, 10321, 10331, 10333, 10337, 10343, &
|
||||||
|
10357, 10369, 10391, 10399, 10427, 10429, 10433, 10453, 10457, 10459, &
|
||||||
|
10463, 10477, 10487, 10499, 10501, 10513, 10529, 10531, 10559, 10567, &
|
||||||
|
10589, 10597, 10601, 10607, 10613, 10627, 10631, 10639, 10651, 10657, &
|
||||||
|
! 1301:1400
|
||||||
|
10663, 10667, 10687, 10691, 10709, 10711, 10723, 10729, 10733, 10739, &
|
||||||
|
10753, 10771, 10781, 10789, 10799, 10831, 10837, 10847, 10853, 10859, &
|
||||||
|
10861, 10867, 10883, 10889, 10891, 10903, 10909, 19037, 10939, 10949, &
|
||||||
|
10957, 10973, 10979, 10987, 10993, 11003, 11027, 11047, 11057, 11059, &
|
||||||
|
11069, 11071, 11083, 11087, 11093, 11113, 11117, 11119, 11131, 11149, &
|
||||||
|
11159, 11161, 11171, 11173, 11177, 11197, 11213, 11239, 11243, 11251, &
|
||||||
|
11257, 11261, 11273, 11279, 11287, 11299, 11311, 11317, 11321, 11329, &
|
||||||
|
11351, 11353, 11369, 11383, 11393, 11399, 11411, 11423, 11437, 11443, &
|
||||||
|
11447, 11467, 11471, 11483, 11489, 11491, 11497, 11503, 11519, 11527, &
|
||||||
|
11549, 11551, 11579, 11587, 11593, 11597, 11617, 11621, 11633, 11657, &
|
||||||
|
! 1401:1500
|
||||||
|
11677, 11681, 11689, 11699, 11701, 11717, 11719, 11731, 11743, 11777, &
|
||||||
|
11779, 11783, 11789, 11801, 11807, 11813, 11821, 11827, 11831, 11833, &
|
||||||
|
11839, 11863, 11867, 11887, 11897, 11903, 11909, 11923, 11927, 11933, &
|
||||||
|
11939, 11941, 11953, 11959, 11969, 11971, 11981, 11987, 12007, 12011, &
|
||||||
|
12037, 12041, 12043, 12049, 12071, 12073, 12097, 12101, 12107, 12109, &
|
||||||
|
12113, 12119, 12143, 12149, 12157, 12161, 12163, 12197, 12203, 12211, &
|
||||||
|
12227, 12239, 12241, 12251, 12253, 12263, 12269, 12277, 12281, 12289, &
|
||||||
|
12301, 12323, 12329, 12343, 12347, 12373, 12377, 12379, 12391, 12401, &
|
||||||
|
12409, 12413, 12421, 12433, 12437, 12451, 12457, 12473, 12479, 12487, &
|
||||||
|
12491, 12497, 12503, 12511, 12517, 12527, 12539, 12541, 12547, 12553],pInt)
|
||||||
|
|
||||||
|
if (n < size(npvec)) then
|
||||||
|
prime = npvec(n)
|
||||||
|
else
|
||||||
|
call IO_error(error_ID=406_pInt)
|
||||||
end if
|
end if
|
||||||
endif
|
|
||||||
|
end function prime
|
||||||
|
|
||||||
end subroutine halton_memory
|
end subroutine halton_memory
|
||||||
|
|
||||||
|
|
@ -2353,7 +2626,7 @@ end subroutine halton_memory
|
||||||
!> @brief sets the dimension for a Halton sequence
|
!> @brief sets the dimension for a Halton sequence
|
||||||
!> @author John Burkardt
|
!> @author John Burkardt
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
subroutine halton_ndim_set (ndim)
|
subroutine halton_ndim_set(ndim)
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), intent(in) :: ndim !< dimension of the Halton vectors
|
integer(pInt), intent(in) :: ndim !< dimension of the Halton vectors
|
||||||
|
|
@ -2390,252 +2663,6 @@ subroutine halton_seed_set(seed)
|
||||||
end subroutine halton_seed_set
|
end subroutine halton_seed_set
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief computes an element of a Halton sequence.
|
|
||||||
!> @details Only the absolute value of SEED is considered. SEED = 0 is allowed, and returns R = 0.
|
|
||||||
!> @details Halton Bases should be distinct prime numbers. This routine only checks that each base
|
|
||||||
!> @details is greater than 1.
|
|
||||||
!> @details Reference:
|
|
||||||
!> @details J.H. Halton: On the efficiency of certain quasi-random sequences of points in evaluating
|
|
||||||
!> @details multi-dimensional integrals, Numerische Mathematik, Volume 2, pages 84-90, 1960.
|
|
||||||
!> @author John Burkardt
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
subroutine i_to_halton (seed, base, ndim, r)
|
|
||||||
use IO, only: &
|
|
||||||
IO_error
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
integer(pInt), intent(in) :: ndim !< dimension of the sequence
|
|
||||||
integer(pInt), intent(in), dimension(ndim) :: base !< Halton bases
|
|
||||||
real(pReal), dimension(ndim) :: base_inv
|
|
||||||
integer(pInt), dimension(ndim) :: digit
|
|
||||||
real(pReal), dimension(ndim), intent(out) ::r !< the SEED-th element of the Halton sequence for the given bases
|
|
||||||
integer(pInt) , intent(in):: seed !< index of the desired element
|
|
||||||
integer(pInt), dimension(ndim) :: seed2
|
|
||||||
|
|
||||||
seed2(1:ndim) = abs(seed)
|
|
||||||
|
|
||||||
r(1:ndim) = 0.0_pReal
|
|
||||||
|
|
||||||
if (any (base(1:ndim) <= 1_pInt)) call IO_error(error_ID=405_pInt)
|
|
||||||
|
|
||||||
base_inv(1:ndim) = 1.0_pReal / real (base(1:ndim), pReal)
|
|
||||||
|
|
||||||
do while ( any ( seed2(1:ndim) /= 0_pInt) )
|
|
||||||
digit(1:ndim) = mod ( seed2(1:ndim), base(1:ndim))
|
|
||||||
r(1:ndim) = r(1:ndim) + real ( digit(1:ndim), pReal) * base_inv(1:ndim)
|
|
||||||
base_inv(1:ndim) = base_inv(1:ndim) / real ( base(1:ndim), pReal)
|
|
||||||
seed2(1:ndim) = seed2(1:ndim) / base(1:ndim)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
end subroutine i_to_halton
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
!> @brief returns any of the first 1500 prime numbers.
|
|
||||||
!> @details n <= 0 returns 1500, the index of the largest prime (12553) available.
|
|
||||||
!> @details n = 0 is legal, returning PRIME = 1.
|
|
||||||
!> @details Reference:
|
|
||||||
!> @details Milton Abramowitz and Irene Stegun: Handbook of Mathematical Functions,
|
|
||||||
!> @details US Department of Commerce, 1964, pages 870-873.
|
|
||||||
!> @details Daniel Zwillinger: CRC Standard Mathematical Tables and Formulae,
|
|
||||||
!> @details 30th Edition, CRC Press, 1996, pages 95-98.
|
|
||||||
!> @author John Burkardt
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
|
||||||
integer(pInt) function prime(n)
|
|
||||||
use IO, only: &
|
|
||||||
IO_error
|
|
||||||
|
|
||||||
implicit none
|
|
||||||
integer(pInt), intent(in) :: n !< index of the desired prime number
|
|
||||||
integer(pInt), parameter :: PRIME_MAX = 1500_pInt
|
|
||||||
integer(pInt), save :: icall = 0_pInt
|
|
||||||
integer(pInt), save, dimension(PRIME_MAX) :: npvec
|
|
||||||
|
|
||||||
if (icall == 0_pInt) then
|
|
||||||
icall = 1_pInt
|
|
||||||
|
|
||||||
npvec = [&
|
|
||||||
2_pInt, 3_pInt, 5_pInt, 7_pInt, 11_pInt, 13_pInt, 17_pInt, 19_pInt, 23_pInt, 29_pInt, &
|
|
||||||
31_pInt, 37_pInt, 41_pInt, 43_pInt, 47_pInt, 53_pInt, 59_pInt, 61_pInt, 67_pInt, 71_pInt, &
|
|
||||||
73_pInt, 79_pInt, 83_pInt, 89_pInt, 97_pInt, 101_pInt, 103_pInt, 107_pInt, 109_pInt, 113_pInt, &
|
|
||||||
127_pInt, 131_pInt, 137_pInt, 139_pInt, 149_pInt, 151_pInt, 157_pInt, 163_pInt, 167_pInt, 173_pInt, &
|
|
||||||
179_pInt, 181_pInt, 191_pInt, 193_pInt, 197_pInt, 199_pInt, 211_pInt, 223_pInt, 227_pInt, 229_pInt, &
|
|
||||||
233_pInt, 239_pInt, 241_pInt, 251_pInt, 257_pInt, 263_pInt, 269_pInt, 271_pInt, 277_pInt, 281_pInt, &
|
|
||||||
283_pInt, 293_pInt, 307_pInt, 311_pInt, 313_pInt, 317_pInt, 331_pInt, 337_pInt, 347_pInt, 349_pInt, &
|
|
||||||
353_pInt, 359_pInt, 367_pInt, 373_pInt, 379_pInt, 383_pInt, 389_pInt, 397_pInt, 401_pInt, 409_pInt, &
|
|
||||||
419_pInt, 421_pInt, 431_pInt, 433_pInt, 439_pInt, 443_pInt, 449_pInt, 457_pInt, 461_pInt, 463_pInt, &
|
|
||||||
467_pInt, 479_pInt, 487_pInt, 491_pInt, 499_pInt, 503_pInt, 509_pInt, 521_pInt, 523_pInt, 541_pInt, &
|
|
||||||
! 101:200
|
|
||||||
547_pInt, 557_pInt, 563_pInt, 569_pInt, 571_pInt, 577_pInt, 587_pInt, 593_pInt, 599_pInt, 601_pInt, &
|
|
||||||
607_pInt, 613_pInt, 617_pInt, 619_pInt, 631_pInt, 641_pInt, 643_pInt, 647_pInt, 653_pInt, 659_pInt, &
|
|
||||||
661_pInt, 673_pInt, 677_pInt, 683_pInt, 691_pInt, 701_pInt, 709_pInt, 719_pInt, 727_pInt, 733_pInt, &
|
|
||||||
739_pInt, 743_pInt, 751_pInt, 757_pInt, 761_pInt, 769_pInt, 773_pInt, 787_pInt, 797_pInt, 809_pInt, &
|
|
||||||
811_pInt, 821_pInt, 823_pInt, 827_pInt, 829_pInt, 839_pInt, 853_pInt, 857_pInt, 859_pInt, 863_pInt, &
|
|
||||||
877_pInt, 881_pInt, 883_pInt, 887_pInt, 907_pInt, 911_pInt, 919_pInt, 929_pInt, 937_pInt, 941_pInt, &
|
|
||||||
947_pInt, 953_pInt, 967_pInt, 971_pInt, 977_pInt, 983_pInt, 991_pInt, 997_pInt, 1009_pInt, 1013_pInt, &
|
|
||||||
1019_pInt, 1021_pInt, 1031_pInt, 1033_pInt, 1039_pInt, 1049_pInt, 1051_pInt, 1061_pInt, 1063_pInt, 1069_pInt, &
|
|
||||||
1087_pInt, 1091_pInt, 1093_pInt, 1097_pInt, 1103_pInt, 1109_pInt, 1117_pInt, 1123_pInt, 1129_pInt, 1151_pInt, &
|
|
||||||
1153_pInt, 1163_pInt, 1171_pInt, 1181_pInt, 1187_pInt, 1193_pInt, 1201_pInt, 1213_pInt, 1217_pInt, 1223_pInt, &
|
|
||||||
! 201:300
|
|
||||||
1229_pInt, 1231_pInt, 1237_pInt, 1249_pInt, 1259_pInt, 1277_pInt, 1279_pInt, 1283_pInt, 1289_pInt, 1291_pInt, &
|
|
||||||
1297_pInt, 1301_pInt, 1303_pInt, 1307_pInt, 1319_pInt, 1321_pInt, 1327_pInt, 1361_pInt, 1367_pInt, 1373_pInt, &
|
|
||||||
1381_pInt, 1399_pInt, 1409_pInt, 1423_pInt, 1427_pInt, 1429_pInt, 1433_pInt, 1439_pInt, 1447_pInt, 1451_pInt, &
|
|
||||||
1453_pInt, 1459_pInt, 1471_pInt, 1481_pInt, 1483_pInt, 1487_pInt, 1489_pInt, 1493_pInt, 1499_pInt, 1511_pInt, &
|
|
||||||
1523_pInt, 1531_pInt, 1543_pInt, 1549_pInt, 1553_pInt, 1559_pInt, 1567_pInt, 1571_pInt, 1579_pInt, 1583_pInt, &
|
|
||||||
1597_pInt, 1601_pInt, 1607_pInt, 1609_pInt, 1613_pInt, 1619_pInt, 1621_pInt, 1627_pInt, 1637_pInt, 1657_pInt, &
|
|
||||||
1663_pInt, 1667_pInt, 1669_pInt, 1693_pInt, 1697_pInt, 1699_pInt, 1709_pInt, 1721_pInt, 1723_pInt, 1733_pInt, &
|
|
||||||
1741_pInt, 1747_pInt, 1753_pInt, 1759_pInt, 1777_pInt, 1783_pInt, 1787_pInt, 1789_pInt, 1801_pInt, 1811_pInt, &
|
|
||||||
1823_pInt, 1831_pInt, 1847_pInt, 1861_pInt, 1867_pInt, 1871_pInt, 1873_pInt, 1877_pInt, 1879_pInt, 1889_pInt, &
|
|
||||||
1901_pInt, 1907_pInt, 1913_pInt, 1931_pInt, 1933_pInt, 1949_pInt, 1951_pInt, 1973_pInt, 1979_pInt, 1987_pInt, &
|
|
||||||
! 301:400
|
|
||||||
1993_pInt, 1997_pInt, 1999_pInt, 2003_pInt, 2011_pInt, 2017_pInt, 2027_pInt, 2029_pInt, 2039_pInt, 2053_pInt, &
|
|
||||||
2063_pInt, 2069_pInt, 2081_pInt, 2083_pInt, 2087_pInt, 2089_pInt, 2099_pInt, 2111_pInt, 2113_pInt, 2129_pInt, &
|
|
||||||
2131_pInt, 2137_pInt, 2141_pInt, 2143_pInt, 2153_pInt, 2161_pInt, 2179_pInt, 2203_pInt, 2207_pInt, 2213_pInt, &
|
|
||||||
2221_pInt, 2237_pInt, 2239_pInt, 2243_pInt, 2251_pInt, 2267_pInt, 2269_pInt, 2273_pInt, 2281_pInt, 2287_pInt, &
|
|
||||||
2293_pInt, 2297_pInt, 2309_pInt, 2311_pInt, 2333_pInt, 2339_pInt, 2341_pInt, 2347_pInt, 2351_pInt, 2357_pInt, &
|
|
||||||
2371_pInt, 2377_pInt, 2381_pInt, 2383_pInt, 2389_pInt, 2393_pInt, 2399_pInt, 2411_pInt, 2417_pInt, 2423_pInt, &
|
|
||||||
2437_pInt, 2441_pInt, 2447_pInt, 2459_pInt, 2467_pInt, 2473_pInt, 2477_pInt, 2503_pInt, 2521_pInt, 2531_pInt, &
|
|
||||||
2539_pInt, 2543_pInt, 2549_pInt, 2551_pInt, 2557_pInt, 2579_pInt, 2591_pInt, 2593_pInt, 2609_pInt, 2617_pInt, &
|
|
||||||
2621_pInt, 2633_pInt, 2647_pInt, 2657_pInt, 2659_pInt, 2663_pInt, 2671_pInt, 2677_pInt, 2683_pInt, 2687_pInt, &
|
|
||||||
2689_pInt, 2693_pInt, 2699_pInt, 2707_pInt, 2711_pInt, 2713_pInt, 2719_pInt, 2729_pInt, 2731_pInt, 2741_pInt, &
|
|
||||||
! 401:500
|
|
||||||
2749_pInt, 2753_pInt, 2767_pInt, 2777_pInt, 2789_pInt, 2791_pInt, 2797_pInt, 2801_pInt, 2803_pInt, 2819_pInt, &
|
|
||||||
2833_pInt, 2837_pInt, 2843_pInt, 2851_pInt, 2857_pInt, 2861_pInt, 2879_pInt, 2887_pInt, 2897_pInt, 2903_pInt, &
|
|
||||||
2909_pInt, 2917_pInt, 2927_pInt, 2939_pInt, 2953_pInt, 2957_pInt, 2963_pInt, 2969_pInt, 2971_pInt, 2999_pInt, &
|
|
||||||
3001_pInt, 3011_pInt, 3019_pInt, 3023_pInt, 3037_pInt, 3041_pInt, 3049_pInt, 3061_pInt, 3067_pInt, 3079_pInt, &
|
|
||||||
3083_pInt, 3089_pInt, 3109_pInt, 3119_pInt, 3121_pInt, 3137_pInt, 3163_pInt, 3167_pInt, 3169_pInt, 3181_pInt, &
|
|
||||||
3187_pInt, 3191_pInt, 3203_pInt, 3209_pInt, 3217_pInt, 3221_pInt, 3229_pInt, 3251_pInt, 3253_pInt, 3257_pInt, &
|
|
||||||
3259_pInt, 3271_pInt, 3299_pInt, 3301_pInt, 3307_pInt, 3313_pInt, 3319_pInt, 3323_pInt, 3329_pInt, 3331_pInt, &
|
|
||||||
3343_pInt, 3347_pInt, 3359_pInt, 3361_pInt, 3371_pInt, 3373_pInt, 3389_pInt, 3391_pInt, 3407_pInt, 3413_pInt, &
|
|
||||||
3433_pInt, 3449_pInt, 3457_pInt, 3461_pInt, 3463_pInt, 3467_pInt, 3469_pInt, 3491_pInt, 3499_pInt, 3511_pInt, &
|
|
||||||
3517_pInt, 3527_pInt, 3529_pInt, 3533_pInt, 3539_pInt, 3541_pInt, 3547_pInt, 3557_pInt, 3559_pInt, 3571_pInt, &
|
|
||||||
! 501:600
|
|
||||||
3581_pInt, 3583_pInt, 3593_pInt, 3607_pInt, 3613_pInt, 3617_pInt, 3623_pInt, 3631_pInt, 3637_pInt, 3643_pInt, &
|
|
||||||
3659_pInt, 3671_pInt, 3673_pInt, 3677_pInt, 3691_pInt, 3697_pInt, 3701_pInt, 3709_pInt, 3719_pInt, 3727_pInt, &
|
|
||||||
3733_pInt, 3739_pInt, 3761_pInt, 3767_pInt, 3769_pInt, 3779_pInt, 3793_pInt, 3797_pInt, 3803_pInt, 3821_pInt, &
|
|
||||||
3823_pInt, 3833_pInt, 3847_pInt, 3851_pInt, 3853_pInt, 3863_pInt, 3877_pInt, 3881_pInt, 3889_pInt, 3907_pInt, &
|
|
||||||
3911_pInt, 3917_pInt, 3919_pInt, 3923_pInt, 3929_pInt, 3931_pInt, 3943_pInt, 3947_pInt, 3967_pInt, 3989_pInt, &
|
|
||||||
4001_pInt, 4003_pInt, 4007_pInt, 4013_pInt, 4019_pInt, 4021_pInt, 4027_pInt, 4049_pInt, 4051_pInt, 4057_pInt, &
|
|
||||||
4073_pInt, 4079_pInt, 4091_pInt, 4093_pInt, 4099_pInt, 4111_pInt, 4127_pInt, 4129_pInt, 4133_pInt, 4139_pInt, &
|
|
||||||
4153_pInt, 4157_pInt, 4159_pInt, 4177_pInt, 4201_pInt, 4211_pInt, 4217_pInt, 4219_pInt, 4229_pInt, 4231_pInt, &
|
|
||||||
4241_pInt, 4243_pInt, 4253_pInt, 4259_pInt, 4261_pInt, 4271_pInt, 4273_pInt, 4283_pInt, 4289_pInt, 4297_pInt, &
|
|
||||||
4327_pInt, 4337_pInt, 4339_pInt, 4349_pInt, 4357_pInt, 4363_pInt, 4373_pInt, 4391_pInt, 4397_pInt, 4409_pInt, &
|
|
||||||
! 601:700
|
|
||||||
4421_pInt, 4423_pInt, 4441_pInt, 4447_pInt, 4451_pInt, 4457_pInt, 4463_pInt, 4481_pInt, 4483_pInt, 4493_pInt, &
|
|
||||||
4507_pInt, 4513_pInt, 4517_pInt, 4519_pInt, 4523_pInt, 4547_pInt, 4549_pInt, 4561_pInt, 4567_pInt, 4583_pInt, &
|
|
||||||
4591_pInt, 4597_pInt, 4603_pInt, 4621_pInt, 4637_pInt, 4639_pInt, 4643_pInt, 4649_pInt, 4651_pInt, 4657_pInt, &
|
|
||||||
4663_pInt, 4673_pInt, 4679_pInt, 4691_pInt, 4703_pInt, 4721_pInt, 4723_pInt, 4729_pInt, 4733_pInt, 4751_pInt, &
|
|
||||||
4759_pInt, 4783_pInt, 4787_pInt, 4789_pInt, 4793_pInt, 4799_pInt, 4801_pInt, 4813_pInt, 4817_pInt, 4831_pInt, &
|
|
||||||
4861_pInt, 4871_pInt, 4877_pInt, 4889_pInt, 4903_pInt, 4909_pInt, 4919_pInt, 4931_pInt, 4933_pInt, 4937_pInt, &
|
|
||||||
4943_pInt, 4951_pInt, 4957_pInt, 4967_pInt, 4969_pInt, 4973_pInt, 4987_pInt, 4993_pInt, 4999_pInt, 5003_pInt, &
|
|
||||||
5009_pInt, 5011_pInt, 5021_pInt, 5023_pInt, 5039_pInt, 5051_pInt, 5059_pInt, 5077_pInt, 5081_pInt, 5087_pInt, &
|
|
||||||
5099_pInt, 5101_pInt, 5107_pInt, 5113_pInt, 5119_pInt, 5147_pInt, 5153_pInt, 5167_pInt, 5171_pInt, 5179_pInt, &
|
|
||||||
5189_pInt, 5197_pInt, 5209_pInt, 5227_pInt, 5231_pInt, 5233_pInt, 5237_pInt, 5261_pInt, 5273_pInt, 5279_pInt, &
|
|
||||||
! 701:800
|
|
||||||
5281_pInt, 5297_pInt, 5303_pInt, 5309_pInt, 5323_pInt, 5333_pInt, 5347_pInt, 5351_pInt, 5381_pInt, 5387_pInt, &
|
|
||||||
5393_pInt, 5399_pInt, 5407_pInt, 5413_pInt, 5417_pInt, 5419_pInt, 5431_pInt, 5437_pInt, 5441_pInt, 5443_pInt, &
|
|
||||||
5449_pInt, 5471_pInt, 5477_pInt, 5479_pInt, 5483_pInt, 5501_pInt, 5503_pInt, 5507_pInt, 5519_pInt, 5521_pInt, &
|
|
||||||
5527_pInt, 5531_pInt, 5557_pInt, 5563_pInt, 5569_pInt, 5573_pInt, 5581_pInt, 5591_pInt, 5623_pInt, 5639_pInt, &
|
|
||||||
5641_pInt, 5647_pInt, 5651_pInt, 5653_pInt, 5657_pInt, 5659_pInt, 5669_pInt, 5683_pInt, 5689_pInt, 5693_pInt, &
|
|
||||||
5701_pInt, 5711_pInt, 5717_pInt, 5737_pInt, 5741_pInt, 5743_pInt, 5749_pInt, 5779_pInt, 5783_pInt, 5791_pInt, &
|
|
||||||
5801_pInt, 5807_pInt, 5813_pInt, 5821_pInt, 5827_pInt, 5839_pInt, 5843_pInt, 5849_pInt, 5851_pInt, 5857_pInt, &
|
|
||||||
5861_pInt, 5867_pInt, 5869_pInt, 5879_pInt, 5881_pInt, 5897_pInt, 5903_pInt, 5923_pInt, 5927_pInt, 5939_pInt, &
|
|
||||||
5953_pInt, 5981_pInt, 5987_pInt, 6007_pInt, 6011_pInt, 6029_pInt, 6037_pInt, 6043_pInt, 6047_pInt, 6053_pInt, &
|
|
||||||
6067_pInt, 6073_pInt, 6079_pInt, 6089_pInt, 6091_pInt, 6101_pInt, 6113_pInt, 6121_pInt, 6131_pInt, 6133_pInt, &
|
|
||||||
! 801:900
|
|
||||||
6143_pInt, 6151_pInt, 6163_pInt, 6173_pInt, 6197_pInt, 6199_pInt, 6203_pInt, 6211_pInt, 6217_pInt, 6221_pInt, &
|
|
||||||
6229_pInt, 6247_pInt, 6257_pInt, 6263_pInt, 6269_pInt, 6271_pInt, 6277_pInt, 6287_pInt, 6299_pInt, 6301_pInt, &
|
|
||||||
6311_pInt, 6317_pInt, 6323_pInt, 6329_pInt, 6337_pInt, 6343_pInt, 6353_pInt, 6359_pInt, 6361_pInt, 6367_pInt, &
|
|
||||||
6373_pInt, 6379_pInt, 6389_pInt, 6397_pInt, 6421_pInt, 6427_pInt, 6449_pInt, 6451_pInt, 6469_pInt, 6473_pInt, &
|
|
||||||
6481_pInt, 6491_pInt, 6521_pInt, 6529_pInt, 6547_pInt, 6551_pInt, 6553_pInt, 6563_pInt, 6569_pInt, 6571_pInt, &
|
|
||||||
6577_pInt, 6581_pInt, 6599_pInt, 6607_pInt, 6619_pInt, 6637_pInt, 6653_pInt, 6659_pInt, 6661_pInt, 6673_pInt, &
|
|
||||||
6679_pInt, 6689_pInt, 6691_pInt, 6701_pInt, 6703_pInt, 6709_pInt, 6719_pInt, 6733_pInt, 6737_pInt, 6761_pInt, &
|
|
||||||
6763_pInt, 6779_pInt, 6781_pInt, 6791_pInt, 6793_pInt, 6803_pInt, 6823_pInt, 6827_pInt, 6829_pInt, 6833_pInt, &
|
|
||||||
6841_pInt, 6857_pInt, 6863_pInt, 6869_pInt, 6871_pInt, 6883_pInt, 6899_pInt, 6907_pInt, 6911_pInt, 6917_pInt, &
|
|
||||||
6947_pInt, 6949_pInt, 6959_pInt, 6961_pInt, 6967_pInt, 6971_pInt, 6977_pInt, 6983_pInt, 6991_pInt, 6997_pInt, &
|
|
||||||
! 901:1000
|
|
||||||
7001_pInt, 7013_pInt, 7019_pInt, 7027_pInt, 7039_pInt, 7043_pInt, 7057_pInt, 7069_pInt, 7079_pInt, 7103_pInt, &
|
|
||||||
7109_pInt, 7121_pInt, 7127_pInt, 7129_pInt, 7151_pInt, 7159_pInt, 7177_pInt, 7187_pInt, 7193_pInt, 7207_pInt, &
|
|
||||||
7211_pInt, 7213_pInt, 7219_pInt, 7229_pInt, 7237_pInt, 7243_pInt, 7247_pInt, 7253_pInt, 7283_pInt, 7297_pInt, &
|
|
||||||
7307_pInt, 7309_pInt, 7321_pInt, 7331_pInt, 7333_pInt, 7349_pInt, 7351_pInt, 7369_pInt, 7393_pInt, 7411_pInt, &
|
|
||||||
7417_pInt, 7433_pInt, 7451_pInt, 7457_pInt, 7459_pInt, 7477_pInt, 7481_pInt, 7487_pInt, 7489_pInt, 7499_pInt, &
|
|
||||||
7507_pInt, 7517_pInt, 7523_pInt, 7529_pInt, 7537_pInt, 7541_pInt, 7547_pInt, 7549_pInt, 7559_pInt, 7561_pInt, &
|
|
||||||
7573_pInt, 7577_pInt, 7583_pInt, 7589_pInt, 7591_pInt, 7603_pInt, 7607_pInt, 7621_pInt, 7639_pInt, 7643_pInt, &
|
|
||||||
7649_pInt, 7669_pInt, 7673_pInt, 7681_pInt, 7687_pInt, 7691_pInt, 7699_pInt, 7703_pInt, 7717_pInt, 7723_pInt, &
|
|
||||||
7727_pInt, 7741_pInt, 7753_pInt, 7757_pInt, 7759_pInt, 7789_pInt, 7793_pInt, 7817_pInt, 7823_pInt, 7829_pInt, &
|
|
||||||
7841_pInt, 7853_pInt, 7867_pInt, 7873_pInt, 7877_pInt, 7879_pInt, 7883_pInt, 7901_pInt, 7907_pInt, 7919_pInt, &
|
|
||||||
! 1001:1100
|
|
||||||
7927_pInt, 7933_pInt, 7937_pInt, 7949_pInt, 7951_pInt, 7963_pInt, 7993_pInt, 8009_pInt, 8011_pInt, 8017_pInt, &
|
|
||||||
8039_pInt, 8053_pInt, 8059_pInt, 8069_pInt, 8081_pInt, 8087_pInt, 8089_pInt, 8093_pInt, 8101_pInt, 8111_pInt, &
|
|
||||||
8117_pInt, 8123_pInt, 8147_pInt, 8161_pInt, 8167_pInt, 8171_pInt, 8179_pInt, 8191_pInt, 8209_pInt, 8219_pInt, &
|
|
||||||
8221_pInt, 8231_pInt, 8233_pInt, 8237_pInt, 8243_pInt, 8263_pInt, 8269_pInt, 8273_pInt, 8287_pInt, 8291_pInt, &
|
|
||||||
8293_pInt, 8297_pInt, 8311_pInt, 8317_pInt, 8329_pInt, 8353_pInt, 8363_pInt, 8369_pInt, 8377_pInt, 8387_pInt, &
|
|
||||||
8389_pInt, 8419_pInt, 8423_pInt, 8429_pInt, 8431_pInt, 8443_pInt, 8447_pInt, 8461_pInt, 8467_pInt, 8501_pInt, &
|
|
||||||
8513_pInt, 8521_pInt, 8527_pInt, 8537_pInt, 8539_pInt, 8543_pInt, 8563_pInt, 8573_pInt, 8581_pInt, 8597_pInt, &
|
|
||||||
8599_pInt, 8609_pInt, 8623_pInt, 8627_pInt, 8629_pInt, 8641_pInt, 8647_pInt, 8663_pInt, 8669_pInt, 8677_pInt, &
|
|
||||||
8681_pInt, 8689_pInt, 8693_pInt, 8699_pInt, 8707_pInt, 8713_pInt, 8719_pInt, 8731_pInt, 8737_pInt, 8741_pInt, &
|
|
||||||
8747_pInt, 8753_pInt, 8761_pInt, 8779_pInt, 8783_pInt, 8803_pInt, 8807_pInt, 8819_pInt, 8821_pInt, 8831_pInt, &
|
|
||||||
! 1101:1200
|
|
||||||
8837_pInt, 8839_pInt, 8849_pInt, 8861_pInt, 8863_pInt, 8867_pInt, 8887_pInt, 8893_pInt, 8923_pInt, 8929_pInt, &
|
|
||||||
8933_pInt, 8941_pInt, 8951_pInt, 8963_pInt, 8969_pInt, 8971_pInt, 8999_pInt, 9001_pInt, 9007_pInt, 9011_pInt, &
|
|
||||||
9013_pInt, 9029_pInt, 9041_pInt, 9043_pInt, 9049_pInt, 9059_pInt, 9067_pInt, 9091_pInt, 9103_pInt, 9109_pInt, &
|
|
||||||
9127_pInt, 9133_pInt, 9137_pInt, 9151_pInt, 9157_pInt, 9161_pInt, 9173_pInt, 9181_pInt, 9187_pInt, 9199_pInt, &
|
|
||||||
9203_pInt, 9209_pInt, 9221_pInt, 9227_pInt, 9239_pInt, 9241_pInt, 9257_pInt, 9277_pInt, 9281_pInt, 9283_pInt, &
|
|
||||||
9293_pInt, 9311_pInt, 9319_pInt, 9323_pInt, 9337_pInt, 9341_pInt, 9343_pInt, 9349_pInt, 9371_pInt, 9377_pInt, &
|
|
||||||
9391_pInt, 9397_pInt, 9403_pInt, 9413_pInt, 9419_pInt, 9421_pInt, 9431_pInt, 9433_pInt, 9437_pInt, 9439_pInt, &
|
|
||||||
9461_pInt, 9463_pInt, 9467_pInt, 9473_pInt, 9479_pInt, 9491_pInt, 9497_pInt, 9511_pInt, 9521_pInt, 9533_pInt, &
|
|
||||||
9539_pInt, 9547_pInt, 9551_pInt, 9587_pInt, 9601_pInt, 9613_pInt, 9619_pInt, 9623_pInt, 9629_pInt, 9631_pInt, &
|
|
||||||
9643_pInt, 9649_pInt, 9661_pInt, 9677_pInt, 9679_pInt, 9689_pInt, 9697_pInt, 9719_pInt, 9721_pInt, 9733_pInt, &
|
|
||||||
! 1201:1300
|
|
||||||
9739_pInt, 9743_pInt, 9749_pInt, 9767_pInt, 9769_pInt, 9781_pInt, 9787_pInt, 9791_pInt, 9803_pInt, 9811_pInt, &
|
|
||||||
9817_pInt, 9829_pInt, 9833_pInt, 9839_pInt, 9851_pInt, 9857_pInt, 9859_pInt, 9871_pInt, 9883_pInt, 9887_pInt, &
|
|
||||||
9901_pInt, 9907_pInt, 9923_pInt, 9929_pInt, 9931_pInt, 9941_pInt, 9949_pInt, 9967_pInt, 9973_pInt,10007_pInt, &
|
|
||||||
10009_pInt,10037_pInt,10039_pInt,10061_pInt,10067_pInt,10069_pInt,10079_pInt,10091_pInt,10093_pInt,10099_pInt, &
|
|
||||||
10103_pInt,10111_pInt,10133_pInt,10139_pInt,10141_pInt,10151_pInt,10159_pInt,10163_pInt,10169_pInt,10177_pInt, &
|
|
||||||
10181_pInt,10193_pInt,10211_pInt,10223_pInt,10243_pInt,10247_pInt,10253_pInt,10259_pInt,10267_pInt,10271_pInt, &
|
|
||||||
10273_pInt,10289_pInt,10301_pInt,10303_pInt,10313_pInt,10321_pInt,10331_pInt,10333_pInt,10337_pInt,10343_pInt, &
|
|
||||||
10357_pInt,10369_pInt,10391_pInt,10399_pInt,10427_pInt,10429_pInt,10433_pInt,10453_pInt,10457_pInt,10459_pInt, &
|
|
||||||
10463_pInt,10477_pInt,10487_pInt,10499_pInt,10501_pInt,10513_pInt,10529_pInt,10531_pInt,10559_pInt,10567_pInt, &
|
|
||||||
10589_pInt,10597_pInt,10601_pInt,10607_pInt,10613_pInt,10627_pInt,10631_pInt,10639_pInt,10651_pInt,10657_pInt, &
|
|
||||||
! 1301:1400
|
|
||||||
10663_pInt,10667_pInt,10687_pInt,10691_pInt,10709_pInt,10711_pInt,10723_pInt,10729_pInt,10733_pInt,10739_pInt, &
|
|
||||||
10753_pInt,10771_pInt,10781_pInt,10789_pInt,10799_pInt,10831_pInt,10837_pInt,10847_pInt,10853_pInt,10859_pInt, &
|
|
||||||
10861_pInt,10867_pInt,10883_pInt,10889_pInt,10891_pInt,10903_pInt,10909_pInt,19037_pInt,10939_pInt,10949_pInt, &
|
|
||||||
10957_pInt,10973_pInt,10979_pInt,10987_pInt,10993_pInt,11003_pInt,11027_pInt,11047_pInt,11057_pInt,11059_pInt, &
|
|
||||||
11069_pInt,11071_pInt,11083_pInt,11087_pInt,11093_pInt,11113_pInt,11117_pInt,11119_pInt,11131_pInt,11149_pInt, &
|
|
||||||
11159_pInt,11161_pInt,11171_pInt,11173_pInt,11177_pInt,11197_pInt,11213_pInt,11239_pInt,11243_pInt,11251_pInt, &
|
|
||||||
11257_pInt,11261_pInt,11273_pInt,11279_pInt,11287_pInt,11299_pInt,11311_pInt,11317_pInt,11321_pInt,11329_pInt, &
|
|
||||||
11351_pInt,11353_pInt,11369_pInt,11383_pInt,11393_pInt,11399_pInt,11411_pInt,11423_pInt,11437_pInt,11443_pInt, &
|
|
||||||
11447_pInt,11467_pInt,11471_pInt,11483_pInt,11489_pInt,11491_pInt,11497_pInt,11503_pInt,11519_pInt,11527_pInt, &
|
|
||||||
11549_pInt,11551_pInt,11579_pInt,11587_pInt,11593_pInt,11597_pInt,11617_pInt,11621_pInt,11633_pInt,11657_pInt, &
|
|
||||||
! 1401:1500
|
|
||||||
11677_pInt,11681_pInt,11689_pInt,11699_pInt,11701_pInt,11717_pInt,11719_pInt,11731_pInt,11743_pInt,11777_pInt, &
|
|
||||||
11779_pInt,11783_pInt,11789_pInt,11801_pInt,11807_pInt,11813_pInt,11821_pInt,11827_pInt,11831_pInt,11833_pInt, &
|
|
||||||
11839_pInt,11863_pInt,11867_pInt,11887_pInt,11897_pInt,11903_pInt,11909_pInt,11923_pInt,11927_pInt,11933_pInt, &
|
|
||||||
11939_pInt,11941_pInt,11953_pInt,11959_pInt,11969_pInt,11971_pInt,11981_pInt,11987_pInt,12007_pInt,12011_pInt, &
|
|
||||||
12037_pInt,12041_pInt,12043_pInt,12049_pInt,12071_pInt,12073_pInt,12097_pInt,12101_pInt,12107_pInt,12109_pInt, &
|
|
||||||
12113_pInt,12119_pInt,12143_pInt,12149_pInt,12157_pInt,12161_pInt,12163_pInt,12197_pInt,12203_pInt,12211_pInt, &
|
|
||||||
12227_pInt,12239_pInt,12241_pInt,12251_pInt,12253_pInt,12263_pInt,12269_pInt,12277_pInt,12281_pInt,12289_pInt, &
|
|
||||||
12301_pInt,12323_pInt,12329_pInt,12343_pInt,12347_pInt,12373_pInt,12377_pInt,12379_pInt,12391_pInt,12401_pInt, &
|
|
||||||
12409_pInt,12413_pInt,12421_pInt,12433_pInt,12437_pInt,12451_pInt,12457_pInt,12473_pInt,12479_pInt,12487_pInt, &
|
|
||||||
12491_pInt,12497_pInt,12503_pInt,12511_pInt,12517_pInt,12527_pInt,12539_pInt,12541_pInt,12547_pInt,12553_pInt]
|
|
||||||
endif
|
|
||||||
|
|
||||||
if(n < 0_pInt) then
|
|
||||||
prime = PRIME_MAX
|
|
||||||
else if (n == 0_pInt) then
|
|
||||||
prime = 1_pInt
|
|
||||||
else if (n <= PRIME_MAX) then
|
|
||||||
prime = npvec(n)
|
|
||||||
else
|
|
||||||
prime = -1_pInt
|
|
||||||
call IO_error(error_ID=406_pInt)
|
|
||||||
end if
|
|
||||||
|
|
||||||
end function prime
|
|
||||||
|
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
!> @brief factorial
|
!> @brief factorial
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
|
|
|
||||||
38
src/mesh.f90
38
src/mesh.f90
|
|
@ -472,7 +472,11 @@ 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_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
|
#ifdef __GFORTRAN__
|
||||||
|
use, intrinsic :: iso_fortran_env, only: &
|
||||||
|
compiler_version, &
|
||||||
|
compiler_options
|
||||||
|
#endif
|
||||||
use DAMASK_interface
|
use DAMASK_interface
|
||||||
use IO, only: &
|
use IO, only: &
|
||||||
#ifdef Abaqus
|
#ifdef Abaqus
|
||||||
|
|
@ -706,7 +710,6 @@ integer(pInt) function mesh_FEasCP(what,myID)
|
||||||
mesh_FEasCP = lookupMap(2_pInt,upper)
|
mesh_FEasCP = lookupMap(2_pInt,upper)
|
||||||
return
|
return
|
||||||
endif
|
endif
|
||||||
! this might be the reason for the heap problems
|
|
||||||
binarySearch: do while (upper-lower > 1_pInt)
|
binarySearch: do while (upper-lower > 1_pInt)
|
||||||
center = (lower+upper)/2_pInt
|
center = (lower+upper)/2_pInt
|
||||||
if (lookupMap(1_pInt,center) < myID) then
|
if (lookupMap(1_pInt,center) < myID) then
|
||||||
|
|
@ -1692,13 +1695,15 @@ subroutine mesh_marc_count_cpElements(fileUnit)
|
||||||
use IO, only: IO_lc, &
|
use IO, only: IO_lc, &
|
||||||
IO_stringValue, &
|
IO_stringValue, &
|
||||||
IO_stringPos, &
|
IO_stringPos, &
|
||||||
IO_countContinuousIntValues
|
IO_countContinuousIntValues, &
|
||||||
|
IO_error, &
|
||||||
|
IO_intValue
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
integer(pInt), intent(in) :: fileUnit
|
integer(pInt), intent(in) :: fileUnit
|
||||||
|
|
||||||
integer(pInt), allocatable, dimension(:) :: chunkPos
|
integer(pInt), allocatable, dimension(:) :: chunkPos
|
||||||
integer(pInt) :: i
|
integer(pInt) :: i, version
|
||||||
character(len=300):: line
|
character(len=300):: line
|
||||||
|
|
||||||
mesh_NcpElems = 0_pInt
|
mesh_NcpElems = 0_pInt
|
||||||
|
|
@ -1709,15 +1714,26 @@ subroutine mesh_marc_count_cpElements(fileUnit)
|
||||||
do
|
do
|
||||||
read (fileUnit,610,END=620) line
|
read (fileUnit,610,END=620) line
|
||||||
chunkPos = IO_stringPos(line)
|
chunkPos = IO_stringPos(line)
|
||||||
|
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'version') then
|
||||||
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'hypoelastic') then
|
version = IO_intValue(line,chunkPos,2_pInt)
|
||||||
do i=1_pInt,3_pInt+hypoelasticTableStyle ! Skip 3 or 4 lines
|
if (version < 13) then ! Marc 2016 or earlier
|
||||||
|
rewind(fileUnit)
|
||||||
|
do
|
||||||
read (fileUnit,610,END=620) line
|
read (fileUnit,610,END=620) line
|
||||||
|
chunkPos = IO_stringPos(line)
|
||||||
|
if ( IO_lc(IO_stringValue(line,chunkPos,1_pInt)) == 'hypoelastic') then
|
||||||
|
do i=1_pInt,3_pInt+hypoelasticTableStyle ! Skip 3 or 4 lines
|
||||||
|
read (fileUnit,610,END=620) line
|
||||||
|
enddo
|
||||||
|
mesh_NcpElems = mesh_NcpElems + IO_countContinuousIntValues(fileUnit) ! why not simply mesh_NcpElems = IO_countContinuousIntValues(fileUnit)? keyword hypoelastic might appear several times
|
||||||
|
exit
|
||||||
|
endif
|
||||||
enddo
|
enddo
|
||||||
mesh_NcpElems = mesh_NcpElems + IO_countContinuousIntValues(fileUnit) ! why not simply mesh_NcpElems = IO_countContinuousIntValues(fileUnit)?
|
else ! Marc2017 and later
|
||||||
exit
|
call IO_error(error_ID=701_pInt)
|
||||||
endif
|
end if
|
||||||
enddo
|
end if
|
||||||
|
enddo
|
||||||
|
|
||||||
620 end subroutine mesh_marc_count_cpElements
|
620 end subroutine mesh_marc_count_cpElements
|
||||||
|
|
||||||
|
|
|
||||||
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Reference in New Issue