Cmcm geometry failure after one energy calculation.

Click here for full thread

Gets Around

3:00:38 PM PDT - Tue, Aug 21st 2012
This also works for me. It looks like NCSA didn't compile nwchem correctly. I don't have have an ncsa account. Probably the best thing to do is have NCSA contact us directly, or you might consider compiling the code yourself.