Issue with pspw using nwchem 6.3 on AMD Bulldozer -- bug in nwchem 6.3?


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Gets Around
Issue resolved in v6.5 rev 26243
I've re-run the test on my AMD FX 8350 and the calculation now runs to completion and gives reasonable values. The issue thus appears to be resolved in the current (6.5 rev 26243) nwchem code