Vectorized molecular dynamics algorithms for very large number of particles

  • Authors:

  • Jacek Mościnski;Monika Bargieł;Jacek Kitowski;Zbigniew Skotniczny;Zbigniew A. Rycerz;Patrick W. M. Jacobs

  • Affiliations:

  • Institute of Computer Science, AGH, al. Mickiewicza 30, 30-059 Cracow, Poland;Institute of Computer Science, AGH, al. Mickiewicza 30, 30-059 Cracow, Poland;Institute of Computer Science, AGH, al. Mickiewicza 30, 30-059 Cracow, Poland;Institute of Computer Science, AGH, al. Mickiewicza 30, 30-059 Cracow, Poland;University of Western Ontario, London, Ontario, N6A 5B7, Canada;University of Western Ontario, London, Ontario, N6A 5B7, Canada

  • Venue:
  • ICS '89 Proceedings of the 3rd international conference on Supercomputing
  • Year:
  • 1989

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Abstract

In this paper three algorithms for Molecular Dynamics simulation suitable for vector computers are reviewed and timings presented. The algorithms were tested on the ETA 10-P and IBM 3090/150E/VF supercomputers and compared against the INTEL 80386/80387 and MC 68020/68881 based microcomputers.