DEVELOPMENT OF ADVANCED COMPUTER HARDWARE AND SOFTWARE

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Software and hardware required to obtain optimal performance for simulation research and to develop new tools for future research are being developed. These include microcoding commercial processors and engineering specialized, high-performance computers for specific computational chemistry needs. GEMMSTAR, a two gigaflop computer for macromolecular simulations is being developed as a high-performance, application-specific computer for molecular simulations in collaboration with the Computer Systems Laboratory (CSL) and Star Technologies Inc. with a Cooperative Research and Development Agreement (CRADA) under the auspices of the Federal Technology Transfer Act of 1987. A pipeline floating point Application Specific Integrated Circuit (ASIC) is being developed specifically for this project, though the subject ASIC is general purpose and may be used in other projects. Massively parallel high performance computers hold great promise for the future of high speed scientific computing. An Intel i860-based machine of this type is being used for algorithm development and scientific computing. Methods for this class of machine are being designed and tested, with the goal of using this system for future research where appropriate.