MOLECULAR DYNAMICS SIMULATIONS OF GRANULAR MATERIALS ON THE INTEL iPSC/860

Gerald H. Ristow
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Gerald H. Ristow: HLRZ, KFA Jülich, Postfach 1913, W 5170 Jülich, Germany

International Journal of Modern Physics C (IJMPC), 1992, vol. 03, issue 06, 1281-1293

Abstract: In this paper we present an efficient algorithm to perform Molecular Dynamics simulations on a distributed memory parallel computer, the Intel iPSC/860. The proposed model describes the flow properties of granular materials in two dimensions. The specific implementation on a 32 node iPSC/860, especially the message passing and load balancing algorithms, are discussed in detail. Performance data are shown for different computers and varying node numbers of the iPSC/860. As a physical example we calculate some properties of the outflow behavior from a two-dimensional hopper and we discuss possible extensions of our model to three dimensions. Our simulations show that Molecular Dynamics simulations can be implemented quite efficiently on a distributed memory parallel computer if one assures load balancing and optimizes the internode communications.

Keywords: Granular Materials; Molecular Dynamics on Parallel Computers; Load Balancing; Parallel Efficiency; Optimized Internode Communications (search for similar items in EconPapers)
Date: 1992
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DOI: 10.1142/S0129183192000889

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