| 2:11:07 PM PST - Sun, Nov 21st 2010 |
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Dear all;
We are trying to run DFT optimization (with B3LYP/6-31g**) for a large system having couple of hundred atoms. Our system contains H, C and S atoms. We have a total of 16 GB shared RAM. In order to perform efficient calculation, I need to know the requirement of the number of processors versus number of atoms. Could you please suggest the scaling requirement of number of processor with the number of atoms for B3LYP/6-31g**?
Thank you
ram
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