nwchem 6.0: strange behaviour with input file argument
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Forum Vet
12:00:56 PM PST - Tue, Feb 7th 2012
mpirun
Mario,
Do you get the same failure if you start the job with mpirun, that is by typing
/opt/pgi/linux86-64/2011/mpi/mpich/bin/mpirun -np 1 /local/ARCHIVE/NWCHEM/nwchem-6.0/bin/LINUX64/nwchem h2_bnl.nw
?
Edo