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