| 1:30:17 PM PST - Wed, Dec 9th 2015 |
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It sounds like you don't have enough RAM allocated to integral storage to avoid disk access altogether. Regardless of how much RAM I give NWChem overall its automatic memory allocation does not seem to give very much to integral storage, so I increase it manually when I can and it gives good speedups.
Inside the DFT block try a directive like this:
semidirect memsize NUMBER_OF_WORDS filesize 0
You should be able to tell from your previous run log files how much space you actually need for the integrals.
EDIT: and with a fairly large basis set and system, plus only 16 GB of RAM, you may not be able to get "filesize 0" working. Some disk storage may be unavoidable, but that's what I would look at. You can still get some speedup by storing as much as possible in RAM via manually increasing memsize.
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