| 5:46:51 PM PDT - Mon, Jun 18th 2012 |
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It still not work!
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I did it as what you said, but it is still not work.
Our cluster is SGE grid system, the script is as follow
- !/bin/sh
- $ -S /bin/bash
- $ -cwd
- $ -q katyusha
- $ -pe katyusha 8
- $ -hard
- $ -l hostname=k129.hn.org
- $ -N pi-blyp-d3-tzvpp
source /etc/env/iccvars.sh
source /etc/env/ifortvars.sh
source /etc/env/openmpii.sh
export MPIRUN_PATH=/usr/local/openmpii/bin
cd /pubdata/myliu/py-indole-blyp-d3-tzvpp
mpirun -np 8 /nibs/myliu/nwchem-6.1/bin/LINUX64/nwchem py-tzvpp.nw >& py-tzvpp.nwo
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