| 5:47:48 PM PST - Wed, Jan 8th 2014 |
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Edrisse,
I have a few comments/suggestions (even though I have to admit that I don't completely understand your question):
- you can input your memory line in mb, without having to do the word, bytes, etc ... conversion. Therefore, if the code is suggesting use that is needs a global memory of 36980521600 bytes, the you can ask for 36980521600/1024/1024=35267 mb
- how many processors are you currently using for your calculation? NWChem is design to efficiently run on parallel computers, therefore, the more processors you use, the more likely is that the global memory requirement decreases
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