Difference between revisions of "Cluster:Gaussian PBS script"
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| − | + | This is a sample PBS script for Gaussian: | |
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| − | + | #!/bin/sh | |
| − | /cluster/ | + | #PBS -N gaussian_test061.com_nodes=2:ppn=2 |
| − | + | #PBS -o /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.out | |
| + | #PBS -e /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.err | ||
| + | #PBS -q batch | ||
| + | #PBS -m abe | ||
| + | #PBS -l nodes=2:ppn=2 | ||
| − | exit $! | + | cd $PBS_O_WORKDIR |
| + | /cluster/bazaar/software/g03/bsd/g03l < /cluster/bazaar/software/g03/tests/com_smp4/test061.com > /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.log | ||
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| + | exit $! | ||
Latest revision as of 12:46, 5 July 2005
This is a sample PBS script for Gaussian:
#!/bin/sh #PBS -N gaussian_test061.com_nodes=2:ppn=2 #PBS -o /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.out #PBS -e /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.err #PBS -q batch #PBS -m abe #PBS -l nodes=2:ppn=2
cd $PBS_O_WORKDIR /cluster/bazaar/software/g03/bsd/g03l < /cluster/bazaar/software/g03/tests/com_smp4/test061.com > /cluster/home/skylar/bazaar/gaussian_nodes2/test061.com.log
exit $!
