Совет Народных Комиссаров

athena

Gaussian03 can run on Athena in either uniprocessor or symmetric multiprocessor (SMP) mode with up to four processors. To run Gaussian03, request 7.7 GB of memory for best performance and specify the number of processors you require as follows:
In the g03 configuration file:

%mem=7700MB
%nproc=n (n =1 to 4 processors)

In the submit script:

#!/bin/bash
#$ -v LAMRSH=/bin/ssh
#$ -S /bin/sh
#$ -N NAME_OF_JOB
#$ -q default
#$ -pe smp n (n =1 to 4 processors)
#$ -l virtual_free=7.7G
#$ -cwd
/share/apps/g03/g03 < YOUR_CONFIG_FILE

Submit your job in the usual manner using the "qsub" command.

Bimal Kulasekara,
bimal@mail.csi.cuny.edu