/usr/share/votca/scripts/inverse/run_genericsim.sh is in votca-csg-scripts 1.3.0-3.
This file is owned by root:root, with mode 0o755.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 | #! /bin/bash
#
# Copyright 2009-2013 The VOTCA Development Team (http://www.votca.org)
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
#
if [ "$1" = "--help" ]; then
cat <<EOF
${0##*/}, version %version%
This script runs a generic simulation program
Usage: ${0##*/}
EOF
exit 0
fi
sim_prog="$(csg_get_property cg.inverse.program)"
script="$(csg_get_property --allow-empty cg.inverse.$sim_prog.script)"
[[ -n $script && ! -f $script ]] && die "${0##*/}: $sim_prog script '$script' not found (make sure it is in cg.inverse.filelist)"
cmd="$(csg_get_property cg.inverse.$sim_prog.command)"
#no check for cmd, because cmd could maybe exist only computenodes
opts=$(csg_get_property --allow-empty cg.inverse.$sim_prog.opts)
#expand ${script} in there
opts="$(eval echo $opts)"
if [[ -n $CSGENDING ]]; then
echo "${0##*/}: $sim_prog does not support wallclock time yet (go here and implement it). Per step wallclock time check is still performed!"
fi
method="$(csg_get_property cg.inverse.method)"
shopt -s extglob
is_part "$method" "ibi imc optimizer re" || die "${0##*/}: ${sim_prog} does not support method $method yet!"
critical $cmd ${opts}
simulation_finish
|