Cray/Media: Mardi Larson, 612/683-3538

CRAY, GAUSSIAN REDUCE TIME-TO-SOLUTION FOR 
CHEMISTRY PROBLEMS FROM DAYS TO HOURS WITH
RELEASE OF PARALLEL GAUSSIAN 94 FOR CRAY SYSTEMS

EAGAN, Minn., Nov. 8, 1995 -- Cray Research, Inc., today
announced that GAUSSIAN 94, the popular quantum chemistry
program from Gaussian, Inc., is now available in a parallel
version (Rev. C) for Cray(R) supercomputers.  Performance
improvements of the new release on Cray systems are
shortening time-to-solution for computational chemistry
problems from days to hours over previous versions of the
software, Cray officials said.

The new version of GAUSSIAN is available immediately on Cray
Research supercomputers including previous-generation CRAY
Y-MP(tm), CRAY C90(tm), and today's high-end CRAY T90(tm)
supercomputers, as well as the low-cost compact CRAY
J90(tm) system with a U.S. list price beginning at $250,000.

For more than twenty years, GAUSSIAN has been used for
computational chemistry -- the modeling and prediction of
molecular systems, an increasingly common practice for
exploring chemical phenomena to develop new pharmaceuticals
and chemical-based products.  GAUSSIAN has been available on
Cray systems for more than 15 years and is currently installed
at over one hundred of Cray Research's customer sites
including Dow Chemical, Merck, and San Diego Supercomputer
Center.
 
Cray Research and GAUSSIAN were able to parallelize the
applications software for Cray Research systems in less than
six months, the two companies said.

According to Dr. Michael Frisch, chief executive officer of
Gaussian Inc., "The latest version of GAUSSIAN 94 not only
leverages the high performance scalable parallel processing
capabilities of Cray Research systems but also takes
advantage of their inherent speed and vector processing
capabilities at the single processor level.  Parallel
capabilities for Hartree-Fock and Density Functional Theory
will be invaluable in tackling complex molecular systems that
were previously cumbersome or out of reach on a single CPU."

Michael Booth, vice president of Cray Research's Applications
Division, said, "The successful application of quantum
chemical methodology is often limited by the time it takes to
do the most accurate calculations.  The new release of
GAUSSIAN is expected to enable our customers to complete
GAUSSIAN calculations in a matter of hours instead of days. 
We anticipate the increased performance of a parallel version
to lead to more successful applications of GAUSSIAN by our
mutual existing customers, and when combined with the CRAY
J90 low-cost supercomputer, will provide a highly cost-
effective, affordable solution for computational chemistry for
new customers and prospects."

The latest version, GAUSSIAN Rev. C, introduces parallelization
and many new algorithms that enhance the program's
performance on Cray Research supercomputers.  Energies,
optimized structures and frequencies can be computed in
parallel using the Hartree-Fock and a variety of Density
Functional methods.  Other features include MP3 and MP4(SDQ)
analytical derivatives; automated computation of Gaussian 1
Theory, Gaussian 2 Theory, and G2(MP2) energies via a single
keyword; and automated computation of Complete Basis Set
(CBS) method energies.  These calculations require the use of
highly correlated methods and in the past have been limited to
small molecules. Now, with the latest version of GAUSSIAN 94,
parallel kernels for MP4 and QCISD(T) leverage the multiple
processors and large, real, shared memories of Cray Research
systems to compute new, more complex systems.

GAUSSIAN is an integrated system of electronic structure
computational chemistry programs for carrying out ab initio,
density functional and semi-empirical calculations. It is
designed to model a broad range of molecular systems starting
from the basic laws of quantum mechanics.

Gaussian, Inc., headquartered in Pittsburgh, Pennsylvania,
develops, sells, and supports the GAUSSIAN series of
electronic structure programs.  GAUSSIAN is available for
every major computing system and is currently used in a wide
variety of industrial and academic research settings
worldwide.

Cray Research provides the leading high-performance
computing tools and services to solve customers' most
challenging problems.

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