Ceilidh ... Estimating MAX size of swap files

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Estimating MAX size of swap files

The difference in the price between 256 GB of SSD and 512 GB of SSD is significant, therefore assessment of the enough SSD size for swap files would be useful.
Dr. A. Granovsky wrote in discussion that limitation for basis functions is 4095.
So upper limit of system is
4095 = SUM [N(atoms)i * Number of BF(in current Basis set)],
(small system - large basis set, or large system - small basis set)
For size calculation we also have to consider total number of primitives, which depends from current Basis Set.
How transalte this value to number of integrals and size of AOInts in byte?
For my tasks I can assume the maximum basis set or system size.
So I can build dependence of swap file size from Natoms and Basis Set at table form, this will be enough.
Or these reasonings are not correct?
Anybody have additional information for solving?

regards, Ivan

Tue Jun 19 '18 12:47pm

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