Segmentation fault in NWChem frequency calculation.


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12:46:23 PM PDT - Tue, Oct 30th 2018
Thank you Edo. Here is the version number:

NWChem v6.8-47-gdf6c956 and GA ga-5.6.3

Probably it is a out of memory issue? How much memory did you use?

Zhiyong




Quote:Edoapra Oct 29th 11:19 am
Zhiyong
I have just run this job and it did not crash for me.
What version of NWChem have you been using? I strongly recommend you 6.8 or later
Cheers, Edo