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To: fp_scientist who wrote (133144)4/22/2001 10:25:17 PM
From: fyodor_  Read Replies (1) of 186894
 
fp: The benchmarks I quoted in previous posts were DFT calculations carried out with Gaussian .

Ahhh, good ol' Gaussian ;-). I remember the days when I poured over the seemingly limitless pages that program could spit out (and repeatedly getting annoyed at the 12 page "intro" that it always wanted to print as a prelude to the results). But then that was Gaussian94 - they may have changed it quite significantly since ;-)

I've never tried Gaussian on an x86 computer, so I have no idea what the specific performance characteristics are like (I used Gaussian mainly on SGI O2s and Octanes).

Btw, I've never much DFT... Mainly CI, MC-SCF and (more recently) Coupled Cluster.

-fyo
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