| 4:51:06 AM PDT - Thu, Oct 29th 2015 |
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I am running a RT-TDDFT calculation on a machine with 64GB memory. I notice memory usage is very low ~1% for each process, but huge scratch files (2-3GB for each process) are created on disk. In order to avoid creating such huge files, i tried to increase memory by specifying
memory total 10000 mb stack 1000 mb heap 1000 mb global 8000 mb noverify
but NWchem's behavior has not changed; it stills makes poor usage of RAM and writes to disk huge scratch files. This is of particular concern, as the disk is SSD with its known limitations. I was thinking of setting up a ramdisk for the scratch files, but is there any better way to prevent writing to disk and use the available memory instead?
Thanks for any suggestion,
Kostas
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