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Molecular dynamics: experiences with connection machines CM-200 and CM-5

  • Ole Holm Nielsen
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 879)

Abstract

This paper describes briefly the physical methods behind our Molecular Dynamics simulations, and the projects carried out on Connection Machine supercomputers. The algorithms are discussed, and the implementation on parallel computers is described. Performance measurements obtained on CM-200 and CM-5 are reported.

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References

  1. [1]
    K. W. Jacobsen, J. K. Nørskov, and M. J. Puska, Phys. Rev. B35, 7423 (1987); K. W. Jacobsen, Comments Cond. Mat. Phys. 14, 129 (1988).Google Scholar
  2. [2]
    J. Schiøtz, K. W. Jacobsen, J. K. Nørskov, and O. H. Nielsen, in preparation.Google Scholar
  3. [3]
    O. H. Nielsen, J. P. Sethna, P. Stoltze, K. W. Jacobsen and J. K. Nørskov, Melting a copper duster: Critical droplet theory, Europhysics Letters, 26, 51 (1994).Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1994

Authors and Affiliations

  • Ole Holm Nielsen
    • 1
    • 2
  1. 1.UNI.C (Danish Computer Center for Research and Education)Lyngby
  2. 2.Center for Atomic-scale Materials Physics, Physics DepartmentTechnical University of DenmarkLyngbyDenmark

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