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qp2/bin/qp_stop
2019-01-25 11:39:31 +01:00

101 lines
1.8 KiB
Bash
Executable File

#!/bin/bash
#
# Stops a running calculation in a clean way.
#
# Fri Jan 18 16:58:11 CET 2019
#
# Check the QP_ROOT directory
if [[ -z ${QP_ROOT} ]] ; then
echo "The QP_ROOT environment variable is not set."
echo "Please reload the quantum_package.rc file."
exit 1
fi
TEMP=$(getopt -o cqhs -l soft,cancel,query,help -n $0 -- "$@") || exit 1
eval set -- "$TEMP"
function help() {
cat << EOF
Stops a running QP calculation.
Usage:
$(basename $0) [-chqs] EZFIO_DIR
Arguments:
EZFIO_DIR EZFIO directory
Options:
-c --cancel Cancel qp_stop order
-h --help Print the help message
-q --query Ask if EZFIO_DIR was requested to stop
-s --soft Terminate the current step, but don't kill
the program
EOF
exit 0
}
function error() {
>&2 echo "$(basename $0): $@"
exit 2
}
while true ; do
case "$1" in
-h|-help|--help)
help
exit 0;;
-c|--cancel)
c_opt=1
;;
-q|--query)
q_opt=1
;;
-s|--soft)
s_opt=1
;;
--) shift ; break ;;
*)
error $(basename $0)": unknown option $1, try --help"
exit 2;;
esac
shift
done
if [[ -z $1 ]] ; then
help
error "EZFIO directory not specified"
fi
if [[ ! -d $1 ]] ; then
error "EZFIO directory not found"
fi
ezfio=$1
if [[ -z $s_opt ]] ; then
qpstopfile=${ezfio}/work/qpkill
else
qpstopfile=${ezfio}/work/qpstop
fi
if [[ -n ${c_opt} ]] ; then
rm --force ${qpstopfile}
elif [[ -n ${q_opt} ]] ; then
if [[ -f ${qpstopfile} ]] ; then
echo "${ezfio} was requested to stop"
exit 0
else
echo "${ezfio} was not requested to stop"
exit 1
fi
else
echo "...${ezfio} is requested to stop..."
touch ${qpstopfile}
fi