|Posted on Tuesday, June 23, 2015 - 10:39 pm: |
It seems that NWChem jobs that have failed are being marked as "complete" in the job manager. These jobs apparently failed because they had poor starting geometries.
I am attaching a sample NWChem output file, and my edited version of parse_nwchem.cgi (which also contains unrelated modifications to run gennbo and to automate some unit conversions for my students).
Post Number: 462
|Posted on Wednesday, June 24, 2015 - 10:43 am: |
This will be updated in the next release. I will send you a patch.