issues with M06-2X dispersion / aug-cc-pVTZ optimization


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3:02:56 PM PST - Mon, Feb 4th 2013
Thank you, Edo. I'll update how it works out.

Quote:Edoapra Feb 4th 8:30 pm
Yue
Your job is running out of memory, therefore you need to increase the memory beyond the default settings of your NWChem installation.

Please put the following memory line at the beginning of your input file

memory stack 1000 mb heap 100 mb global 500 mb

Cheers, Edo