Subject: Which is faster Direct SCF or Non-Direct SCF

From: Laurence Lavelle <[email-masked]>
Date: Sun, 07 Dec 1997 02:03:02 -0800

Greetings,

My system has 192 MB RAM, and up to 5 GB swap with a sustained data throughput of 10MB/s.

Using non-direct SCF with 211 basis functions the 2e- integral storage is 2(211)^4 = 3.96 GB.

Which is faster Direct SCF or Non-Direct SCF?

Thanks

Laurence Lavelle

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Laurence Lavelle, Ph.D.

University of California Los Angeles

Molecular Biology Institute, and Department of Chemistry & Biochemistry 

Laboratory of Structural Biology & Molecular Medicine

Los Angeles, CA 90095-1570, USA

Email:[email-masked]

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http://www.doe-mbi.ucla.edu/people/lavelle/lavelle.html

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