#!/bin/ksh if test -z "$1" then echo "+--------------------------------------------------------------+" echo "! !" echo "! submitGaussian command : !" echo "! !" echo "! This command is used to submit Gaussian job with LSF !" echo "! !" echo "! Syntax: submitGaussian QUEUE dataFile.com !" echo "! !" echo "! type - type of queues(G,GL) !" echo "! G : under 172800 seconds(default) !" echo "! GL : under 604800 seconds !" echo "! dataFile.com - name of the input gaussian file !" echo "! !" echo "+--------------------------------------------------------------+" exit fi type=$1 jobcom=$2 echo $jobcom if [ ! -f "$jobcom" ] then echo I can not open $jobcom file exit fi if test -z "$type" then type=G fi job=${jobcom%.com} bsub -q $type -J $job -o $job.out -e $job.err "/home/allouche/shell/gauss $job" exit