A VECTORIZED ALGORITHM FOR MOLECULAR DYNAMICS OF SHORT RANGE INTERACTING PARTICLES

Volkhard Buchholtz and Thorsten Pöschel
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Volkhard Buchholtz: Humboldt-Universität zu Berlin, Institut für Theoretische Physik, Unter den Linden 6, D–10099 Berlin, Germany
Thorsten Pöschel: Humboldt-Universität zu Berlin, Institut für Theoretische Physik, Unter den Linden 6, D–10099 Berlin, Germany

International Journal of Modern Physics C (IJMPC), 1993, vol. 04, issue 05, 1049-1057

Abstract: We report on a lattice based algorithm, completely vectorized for molecular dynamics simulations. Its algorithmic complexity is of the orderO(N), whereNis the number of particles. The algorithm works very effectively when the particles have short range interaction, but it is applicable to each kind of interaction. The code was tested on a CRAY YMP EL in a simulation of flowing granular material.

Keywords: Algorithms; Vectorization; Granular Flow (search for similar items in EconPapers)
Date: 1993
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DOI: 10.1142/S0129183193000811

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