Changes

Gaussian

132 bytes added, 20:08, 7 August 2015
'''Sample Script file Environment Variables to Submit Gaussian submit jobs on Magus. '''
 
The required environment variables are already set at the global level and hence nothing specific is required.
 
 
'''Sample Script file to Submit Gaussian jobs on Magus. '''
#!/bin/bash
#BSUB -o %J.out
#BSUB -n 32
 
source /snufs/apps/Gaussian/g09/gauss.sh
 
INPUT_FILE=/snufs/home/deepak/gaussian/A1_II.com;
#Do not change anything below this line
LINDA=<code>`cat $LSB_DJOB_HOSTFILE | uniq | tr '\n' "," | sed 's|,@@@PRE10@@@lt;td ' $</code> sed 's|,|,|g' `
NODECOUNT=`cat $LSB_DJOB_HOSTFILE | uniq | wc -l`
## Appendinglinda worker configration in INPUT FILE
Bureaucrat, administrator
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