Subject: A Revised (and Shortened) EMSL Ab Initio Benchmark Report

From: "Feller, David F" <[email-masked]>
Date: Fri, 07 Jul 2000 14:49:17 -0700

Over the past 7 years, we have published an Ab Initio Benchmark Report,
originally as a hardcopy document and later via the web.  The goal of the 
previous editions was quite ambitious.  We compared a fairly wide variety 
of applications and hardware platforms using a common set of calculations.  
Unfortunately, the necessary level of effort could not be sustained, so that the

last version of the report was in June, 1997.
(see http://www.emsl.pnl.gov:2080/docs/tms/abinitio/cover.html) 

We have recently had an opportunity to benchmark a number of single and
dual processor workstations, including some based on the Intel Pentium
and AMD Athlon processors.  Although the associated data is much more
restricted than the information in our previous reports, e.g. only one
application
(Gaussian 98) was used, we felt that people might still find the information
of some use.   All of the data was obtained with locally purchased copies
of Gaussian executables, i.e. G98 was not "tweaked" in any way in order to 
obtain the optimal performance from each box. 

Please see http://www.emsl.pnl.gov:2080/docs/tms/abinitio-v4/cover.html. 

David Feller                                | [email-masked] 
Environmental Molecular Sciences Lab., K8-91| Box 999
Pacific Northwest National Laboratory       | Richland, WA 99352 
                                            | Fax: 509-375-6631