Suggestion for memory and integral storage
Clicked A Few Times
12:50:42 AM PDT - Tue, Sep 3rd 2013
Hi folks,

I am looking for suggestions on how to best perform SCF calculations for medium sized molecules. The cluster on which I am running has Xeon nodes with 8 threads, 24GB RAM, and about 200GB scratch disc space.
Specifically, I wonder what memory and direct/semidirect settings might be recommended.

Thanks,
Bob


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