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
|
#!/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
|
