CRAY RESEARCH ANNOUNCES WORKSTATION VERSION OF POPULAR UNICHEM PRODUCT Move Helps Establish Supercomputing Application Standard, Expected to Broaden Supercomputer User Base EAGAN, Minn., March 25, 1993 -- Cray Research today announced the availability of a workstation version of the company's UniChem molecular modeling program originally designed for its supercomputers. This is the first time Cray Research has made its supercomputer software available on workstations, the company said. The new software is initially available on Silicon Graphics workstations and will be available on most UNIX-based workstations later this year, the company said. It has the same look and feel as UniChem for Cray Research supercomputers and contains all the same features as the supercomputer version, which was developed by a Cray Research-led consortium of leading chemical and pharmaceutical companies. With more than 35 copies of the supercomputer version of UniChem software in use worldwide at leading universities, government research laboratories, and chemical, pharmaceutical and petroleum companies, the software has been a strong-selling product for Cray Research. "The UniChem product was founded on the synergy between workstation and supercomputer," said Sara Graffunder, director of applications software development for Cray Research. "But today there are many computational chemists using workstations for their smaller-scale problems. In the past if these users decided they wanted to migrate to a supercomputing environment, they would be required to learn a new software package. With UniChem on the workstation, users can utilize the processing power on their desktop, and when their problems become so large it's not practical for the desktop, they have a transparent transition to supercomputing." The workstation version of UniChem can also be used to tackle problems that can't be solved right away on the desktop, Graffunder noted. "For example, if users want to reserve their workstations over a weekend for a 40-hour computational chemistry job, they can use UniChem on their workstation. But, as often happens, if the problem is time- critical or too large to practically run on the workstation, the solution must happen on the Cray Research supercomputer. This new capability allows users to 'toggle' from the Cray Research supercomputer to the workstation, and thereby use the most appropriate resource for their problem solving," she said. The common graphical user interface of the workstation and supercomputer versions of UniChem allow users to access simulation codes running on local workstations and on any Cray Research system, said Thomas Raeuchle, UniChem product manager. UniChem allows researchers to model and explore a wide variety of complex molecular systems at a new level of detail in order to develop new pharmaceuticals, materials and catalysts, he said. First announced in February 1991, UniChem incorporates three quantum chemistry methods into one package with a common user interface. The components are CADPAC for Hartree-Fock, MNDO91 for semi- empirical, and DGauss for density functional. The software also provides an interface to Gaussian 92, one of the most widely used ab initio packages. The workstation version of UniChem is currently available through Cray Research and the company is seeking distributors, Raeuchle said. As with UniChem for the Cray Research platform, the workstation version is offered either unbundled or as a complete package. Commercial prices for the complete package start at $45,000 for low- end workstations. Cray Research creates the most powerful, highest quality computational tools for solving the world's most challenging scientific and industrial problems. # # #