How to engage more then one processor?
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Forum Vet
5:43:59 PM PDT - Fri, May 10th 2013
Quote:Mehcwn
May 10th 11:29 am
Hi Edo,
Please have a look at the link below for how to run NWChem with MPI
http://nwchemgit.github.io/index.php/Release61:Running#Parallel_execution_on_UNIX-based_para...
As far as comparison with baselines results are concerned,
there is a QA suite residing in
$NWCHEM_TOP/QA
A script named
doqmtests.mpi [no. of processes]
can be used to test the installation