192 lines
3.7 KiB
Bash
192 lines
3.7 KiB
Bash
#!/bin/sh
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#
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# The exit status of this script is read by Mentat.
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# Normal exit status is 0.
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#
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DIR=%INSTALLDIR%/marc2021.2
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if test $MARCDIR1
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then
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DIR=$MARCDIR1
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fi
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if test -z "$DIR"; then
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REALCOM="`ls -l $0 |awk '{ print $NF; }'`"
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DIRSCRIPT=`dirname $REALCOM`
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case $DIRSCRIPT in
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\/*)
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;;
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*)
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DIRSCRIPT=`pwd`/$DIRSCRIPT
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;;
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esac
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. $DIRSCRIPT/getarch
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DIR="$MENTAT_MARCDIR"
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fi
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SRCEXT=.f
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SRCEXTC=.F
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RSTEXT=.t08
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PSTEXT=.t19
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PSTEXTB=.t16
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VWFCEXT=.vfs
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slv=$1
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version=$2
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ndom_fea_solver=$3
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ndom_preprocessor=$4
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hostfile=$5
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compat=$6
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job=$7
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srcfile=$8
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srcmeth=$9
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shift 9 # cannot use $10, $11, ...
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restart=$1
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postfile=$2
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viewfactorsfile=$3
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copy_datfile="-ci $4"
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copy_postfile="-cr $5"
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scr_dir=$6
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dcoup=$7
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assem_recov_nthread=$8
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nthread=$9
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shift 9 # cannot use $10, $11, ...
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nsolver=$1
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mode=$2
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gpu=$3
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if [ "$slv" != "" -a "$slv" != "marc" -a "$slv" != "datfit" ]; then
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slv="-iam sfm"
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fi
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if [ "$slv" = "marc" ]; then
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slv=""
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fi
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if [ "$slv" = "datfit" ]; then
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slv="-iam datfit"
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fi
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if [ "$ndom_fea_solver" != "" -a "$ndom_fea_solver" != "1" ]; then
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nprocds="-nprocds $ndom_fea_solver"
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else
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nprocd=""
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if [ "$ndom_preprocessor" != "" -a "$ndom_preprocessor" != "1" ]; then
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nprocd="-nprocd $ndom_preprocessor"
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else
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nprocd=""
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fi
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fi
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if [ "$srcfile" != "" -a "$srcfile" != "-" ]; then
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srcfile=`echo $srcfile | sed "s/$SRCEXT$//" | sed "s/$SRCEXTC$//"`
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case "$srcmeth" in
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-)
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srcfile="-u $srcfile"
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;;
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compsave)
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srcfile="-u $srcfile -save y"
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;;
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runsaved)
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srcfile=${srcfile%.*}".marc"
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srcfile="-prog $srcfile"
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;;
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esac
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else
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srcfile=""
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fi
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if [ "$restart" != "" -a "$restart" != "-" ]; then
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restart=`echo $restart | sed "s/$RSTEXT$//"`
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restart="-r $restart"
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else
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restart=""
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fi
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if [ "$postfile" != "" -a "$postfile" != "-" ]; then
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postfile=`echo $postfile | sed "s/$PSTEXT$//"`
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postfile=`echo $postfile | sed "s/$PSTEXTB$//"`
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postfile="-pid $postfile"
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else
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postfile=""
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fi
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if [ "$viewfactorsfile" != "" -a "$viewfactorsfile" != "-" ]; then
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viewfactorsfile=`echo $viewfactorsfile | sed "s/$VWFCEXT$//"`
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viewfactorsfile="-vf $viewfactorsfile"
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else
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viewfactorsfile=""
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fi
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if [ "$hostfile" != "" -a "$hostfile" != "-" ]; then
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hostfile="-ho $hostfile"
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else
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hostfile=""
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fi
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if [ "$compat" != "" -a "$compat" != "-" ]; then
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compat="-co $compat"
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else
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compat=""
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fi
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if [ "$scr_dir" != "" -a "$scr_dir" != "-" ]; then
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scr_dir="-sd $scr_dir"
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else
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scr_dir=""
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fi
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if [ "$dcoup" != "" -a "$dcoup" != "0" ]; then
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dcoup="-dcoup $dcoup"
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else
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dcoup=""
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fi
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if [ "$assem_recov_nthread" != "" -a "$assem_recov_nthread" != "1" ]; then
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assem_recov_nthread="-nthread_elem $assem_recov_nthread"
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else
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assem_recov_nthread=""
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fi
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if [ "$nthread" != "" -a "$nthread" != "0" -a "$nthread" != "1" ]; then
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nthread="-nthread $nthread"
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else
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nthread=""
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fi
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if [ "$nsolver" != "" -a "$nsolver" != "0" ]; then
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nsolver="-nsolver $nsolver"
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else
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nsolver=""
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fi
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case "$mode" in
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4) mode="-mo i4" ;;
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8) mode="-mo i8" ;;
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*) mode= ;;
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esac
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if [ "$gpu" != "" -a "$gpu" != "-" ]; then
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gpu="-gpu $gpu"
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else
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gpu=""
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fi
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rm -f $job.cnt
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rm -f $job.sts
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rm -f $job.out
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rm -f $job.log
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# To prevent a mismatch with the python version used by the solver
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# do *not* prepend $MENTAT_INSTALL_DIR/python/bin to environment variable PATH
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# unset environment variables PYTHONHOME and PYTHONPATH
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unset PYTHONHOME
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unset PYTHONPATH
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"${DIR}/tools/run_damask_lmp" $slv -j $job -v n -b y $nprocds $nprocd \
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$srcfile $restart $postfile $viewfactorsfile $hostfile \
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$compat $copy_datfile $copy_postfile $scr_dir $dcoup \
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$assem_recov_nthread $nthread $nsolver $mode $gpu > /dev/null 2>&1
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sleep 1
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exit 0
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