| 3:04:07 PM PDT - Mon, Oct 1st 2012 |
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Bob,
I have tried to reproduce your problem, but my runs went fine.
A few things I would like you to keep in mind
1) The NWChem-src-2012-Jul-25 tarball is a development version.
The last released version is the 6.1.1 that you can find at
http://nwchemgit.github.io/images/Nwchem-6.1.1-src.2012-06-27.tar.gz
2) We strongly recommend compiling NWChem with MPI (there are only a few
extra environment variables to set)
3) Have you tried to run in parallel using two processes instead of four?
Cheers, Edo
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