6.1.1 MPI build runs great, but only on 1 node
Click here for full thread
Just Got Here
10:31:13 AM PDT - Wed, Jul 18th 2012
Ooops! My PBS job script was autoformatted when I submitted. It should look like this:
\#!/bin/bash
\#PBS -N nwchem
\#PBS -l select=2:ncpus=8:mpiprocs=8:mem=8gb,walltime=00:30:00
\#PBS -j oe
mpiexec -n 16 nwchem formaldehyde.scf.nwchem > formaldehyde.scf.out