12:48:40 PM PST - Thu, Feb 22nd 2018 |
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Yes, you should launch NWChem with mpirun/mpiexec if you want to use more than one core per node. I do not understand your screenshot, because "./nwchem" should not launch multiple processes.
To the topic in the subject, NWChem is threaded in a few modules, such as NWPW, semidirect CCSD(T) and TCE.
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