Subject: G94W and 2e- integral storage

From: Laurence Lavelle <[email-masked]>
Date: Sat, 21 Mar 1998 20:00:22 -0800

Hi,

I have some questions on integral storage, and performance benchmarks in
general. I know it is often said that answers to "benchmark" questions
are "system dependent" and the only way to make comparisons are real
tests. This however means that one has to buy the hardware and then see
"how things turn out". 

Quantitative answers or "real comparisons" will be much appreciated.

1) Does the latest version of G94W allow for more than one path for 2 e-
integral storage. That is, can they be stored on more than one hard
drive?

2) Is there a quantitative way of estimating direct SCF speed, versus
integral storage on hard drive(s)?  

That is,  knowing CPU specs like CINT95, CFP95 

(e.g., SPECint95 = 7.12, SPECfp95 = 5.21); 

and hard drive specs (e.g., two HD each with their own SCSI controller,
that have sustained data transfer of 10 MB/s) can one estimate the
relative speeds of direct SCF vs conventional? 

Bottom line: The above two HD can store 20 MB of 2e- integrals per sec
(up to a max of 2 x 9000 MB = 18000 MB). <bold>Which CPU's can
recalculate more than 20 MB of 2 e- integrals per sec to make direct SCF
faster than conventional? 

</bold>

About benchmarks in general:

1) How does one know if a software package or modules within a package
are  more dependent on integer performance or floating point performance? 

2) How does one compare performance numbers stated as CINT95(intensive
integer performance), CFP95 (intensive floating point performance) or
MIPS (10^6 instructions per sec)?

Much appreciated.

Laurence

<center>

""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

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]

Phone (Lab): (310) 206-8270

Phone (Office): (310) 825-2083

Fax: (310) 267-1957

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

""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""

It will be a great day when schools have all the money they need,

and the military has bake day sales.

In nature's infinite book of secrecy

A little I can read.

</center>