From NWChem
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Gets Around
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12:06:45 AM PDT - Wed, Jun 6th 2012 |
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Gary,
I've looked at the perl scripts in the past and they felt somewhat impenetrable. I didn't ask about it before, but I've been following the discussion re being banned by gaussian (think it was part of the centos/rhel and ecce not starting -- I'm having problems with that too on one of clusters, but have given it a rest due to lecture preparations). I'll look, slowly at the g09 issue again and see if I understand it this time instead. I think my 6 months of troubleshooting various programs may have prepared me better for it now.
Btw, not even pre-version 5 gaussview can read the g09 files properly, so I think the new format may be significantly different. Or they broke it on purpose to keep the license money coming.
/Andy
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