| 5:28:35 AM PST - Mon, Feb 22nd 2016 |
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In that case it must be my installation.
I tried running with "direct", but it gives the same result.
I also tried reinstalling the package; that didn't help either.
My machine is a workstation with two 12-core processors with hyperthreading. With nwchem 6.5 and openmpi 1.6 it was most efficient to run with 44 processes. Nwchem 6.6 needs openmpi 1.10, and it looks like the behavior changed a bit. I'm not quite sure yet what I the optimal way is now. I tried from 2 to 44 processes, but always get the above behavior.
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