Problem of running NWchem6.0


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Just Got Here
Re.
Hi,

Sorry, I made a mistake in my LSF job script which caused the problem of running NWChem using more than one node. Now the problem is solved.

The problem was caused by the wrong hostfile format for mpirun_rsh command. The correct
format should be a list of node names, and the same node name should appear as many as the cores used for the job, and they should be listed consecutively, as variable $LSB_DJOB_HOSTFILE defines.

Jyh-Shyong