one additional core than requested is used in mpi running of nwchem

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Forum Vet

5:55:02 PM PDT - Thu, Aug 23rd 2012
It's normal to have an extra NWChem process on OPENIB
Jtravers, The OPENIB port of the tools used by NWChem makes use of an extra process to deal with communication. It is perfectly normal to have an extra NWChem process on OPENIB. You might want to try to leave a core free on each node so that it might be used by this extra process. This might improve performances. Cheers, Edo