nwchem 6.0: strange behaviour with input file argument
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Just Got Here
1:40:54 AM PST - Wed, Feb 8th 2012
First of all, many thanks for the replies.
@Edo: using mpirun, as you have suggested, solves the problem
and, by setting the environment variables:
NWCHEM_TOP, NWCHEM_TARGET, MPIRUN_PATH
Mario