Abstract
This paper describes briefly our projects which involve Molecular Dynamics simulations carried out on Connection Machine CM-200 and CM-5 supercomputers. The algorithms are discussed, and the implementation on data-parallel computers is described. Performance measurements obtained on CM-200 and CM-5 are reported.
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References
K. W. Jacobsen, J. K. Nørskov, and M. J. Puska, Phys. Rev. B 35, 7423 (1987); K. W. Jacobsen, Comments Cond. Mat. Phys. 14, 129 (1988).
O. H. Nielsen, J. P. Sethna, P. Stoltze, K. W. Jacobsen and J. K. Nørskov, Melting a copper cluster: Critical droplet theory, Europhysics Letters, in press.
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© 1994 Springer-Verlag Berlin Heidelberg
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Nielsen, O.H. (1994). Performance of a molecular—dynamics algorithm on Connection Machines CM-200 and CM-5. In: Gentzsch, W., Harms, U. (eds) High-Performance Computing and Networking. HPCN-Europe 1994. Lecture Notes in Computer Science, vol 796. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0020383
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DOI: https://doi.org/10.1007/BFb0020383
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