25 November 2013

531. Briefly: NWChem 6.3 -- issues with planewave (PSPW) module and AMD FX8150 and 8350 CPUs

This is more of an announcement or warning than a proper blog post:

Both FX8350 and FX8150 have trouble running the pspw module causing the calculation to lead to exploding structures:

My other nodes have no trouble running the job in question. Also, the issue was only found in nwchem 6.3 -- nwchem 6.1.1 worked fine. So it's not an FX83x50 related fault per se.

Again, see the post at the nwchem-sw.org site for more information.

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