DAMASK_EICMD/DAMASK_env.sh

80 lines
2.9 KiB
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# sets up an environment for DAMASK on bash
# usage: source DAMASK_env.sh
if [ "$OSTYPE" == "linux-gnu" ] || [ "$OSTYPE" == 'linux' ]; then
DAMASK_ROOT=$(readlink -f "`dirname $BASH_SOURCE`")
else
[[ "${BASH_SOURCE::1}" == "/" ]] && BASE="" || BASE="`pwd`/"
STAT=$(stat "`dirname $BASE$BASH_SOURCE`")
DAMASK_ROOT=${STAT##* }
fi
[[ -f $HOME/.damask/damask.conf ]] && source $HOME/.damask/damask.conf || source /etc/damask.conf
# if DAMASK_BIN is present and not in $PATH, add it
if [[ "x$DAMASK_BIN" != "x" && ! `echo ":$PATH:" | grep $DAMASK_BIN:` ]]; then
export PATH=$DAMASK_BIN:$PATH
fi
SOLVER=`which DAMASK_spectral 2>/dev/null`
if [ "x$SOLVER" == "x" ]; then
export SOLVER='Not found!'
fi
PROCESSING=`which postResults 2>/dev/null`
if [ "x$PROCESSING" == "x" ]; then
export PROCESSING='Not found!'
fi
# according to http://software.intel.com/en-us/forums/topic/501500
# this seems to make sense for the stack size
FREE=`which free 2>/dev/null`
if [ "x$FREE" != "x" ]; then
freeMem=`free -k | grep -E '(Mem|Speicher):' | awk '{print $4;}'`
heap=`expr $freeMem / 2`
stack=`expr $freeMem / $DAMASK_NUM_THREADS / 2`
# http://superuser.com/questions/220059/what-parameters-has-ulimit
ulimit -s $stack 2>/dev/null # maximum stack size (kB)
ulimit -d $heap 2>/dev/null # maximum heap size (kB)
fi
ulimit -c 2000 2>/dev/null # core file size (512-byte blocks)
ulimit -v unlimited 2>/dev/null # maximum virtual memory size
ulimit -m unlimited 2>/dev/null # maximum physical memory size
# disable output in case of scp
if [ ! -z "$PS1" ]; then
echo
echo Düsseldorf Advanced Materials Simulation Kit - DAMASK
echo Max-Planck-Institut für Eisenforschung, Düsseldorf
echo http://damask.mpie.de
echo
echo Using environment with ...
echo "DAMASK $DAMASK_ROOT"
[[ "x$SOLVER" != "x" ]] && echo "Spectral Solver $SOLVER"
[[ "x$PROCESSING" != "x" ]] && echo "Post Processing $PROCESSING"
echo "Multithreading DAMASK_NUM_THREADS=$DAMASK_NUM_THREADS"
echo "Compiler F90=$F90"
[[ "x$IMKL_ROOT" != "x" ]] && echo "IMKL $IMKL_ROOT" || \
[[ "x$ACML_ROOT" != "x" ]] && echo "ACML $ACML_ROOT" || \
[[ "x$LAPACK_ROOT" != "x" ]] && echo "LAPACK $LAPACK_ROOT"
[[ "x$PETSC_DIR" != "x" ]] && echo "PETSc location $PETSC_DIR"
[[ "x$PETSC_ARCH" != "x" ]] && echo "PETSc architecture $PETSC_ARCH"
echo "MSC.Marc/Mentat $MSC_ROOT"
echo "FFTW $FFTW_ROOT"
echo "HDF5 $HDF5_ROOT (for future use)"
echo
echo -n "heap size/MiB "; echo "`ulimit -d`/1024" | bc
echo -n "stack size/MiB "; echo "`ulimit -s`/1024" | bc
fi
export DAMASK_NUM_THREADS
export PYTHONPATH=$DAMASK_ROOT/lib:$PYTHONPATH
for var in BASE STAT SOLVER PROCESSING FREE; do
unset "${var}"
done
for var in DAMASK IMKL ACML LAPACK MSC FFTW HDF5; do
unset "${var}_ROOT"
done