How to engage more then one processor?


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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