Re: Beta version of NWChem 6.5 available for testing


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Quote:Edoapra
Feedback -- of any kind -- from beta testers is very welcome.


Just a quick "compiled without problems" report, and also seems to be running fine. The ESP radii bug is still there, though: http://nwchemgit.github.io/Special_AWCforum/st/id1397/Bug_in_ESP_radii_using_ECPs....

Added in edit:
Hmm, yeah, in order to be a bit more useful, the system it was compiled on was
  • Red Hat 4.4.6-4
  • kernel 2.6.32-279.19.1.el6.x86_64
  • AMD Opteron 6238 2.6 GHz
  • OpenMPI 1.6.5
  • OpenBLAS 0.2.11
  • gcc 4.7.2