QA tests and verification for nwchem 6.5 and hess/vib modules

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9:58:44 PM PDT - Sat, Sep 20th 2014
Quote:Edoapra Sep 19th 11:21 pm By the way, when you run nwchem on stampede do you set the environmental variable ARMCI_OPENIB_DEVICE equal to mlx4_0? Yes, I do set that variable.