Abstract
In the paper we compare timing results for short-range 12/6 Lennard-Jones molecular dynamics simulation for two kinds of data structures resulting from two different kinds of 3-D computational box. For parallel and distributed computing the domain decomposition method and message-passing paradigm were applied. The programs were run on parallel computers like HP/Convex SPP1200 and Intel Paragon XP/S as well as on a network of workstations.
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Kitowski, J., Boryczko, K., Mościński, J. (1996). Comparison of two short-range molecular dynamics algorithms for parallel computing. In: Waśniewski, J., Dongarra, J., Madsen, K., Olesen, D. (eds) Applied Parallel Computing Industrial Computation and Optimization. PARA 1996. Lecture Notes in Computer Science, vol 1184. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-62095-8_47
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DOI: https://doi.org/10.1007/3-540-62095-8_47
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