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LARGE-SCALE MOLECULAR-DYNAMICS SIMULATION OF 19 BILLION PARTICLES

Kai Kadau (), Timothy C. Germann () and Peter S. Lomdahl ()
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Kai Kadau: Theoretical Division, Los Alamos National Laboratory, MS B262, Los Alamos, New Mexico 87545, USA
Timothy C. Germann: Applied Physics Division, Los Alamos National Laboratory, MS F699, Los Alamos, New Mexico 87545, USA
Peter S. Lomdahl: Theoretical Division, Los Alamos National Laboratory, MS B262, Los Alamos, New Mexico 87545, USA

International Journal of Modern Physics C (IJMPC), 2004, vol. 15, issue 01, 193-201

Abstract: We have performed parallel large-scale molecular-dynamics simulations on the QSC-machine at Los Alamos. The good scalability of the SPaSM code is demonstrated together with its capability of efficient data analysis for enormous system sizes up to 19 000 416 964 particles. Furthermore, we introduce a newly-developed graphics package that renders in a very efficient parallel way a huge number of spheres necessary for the visualization of atomistic simulations. These abilities pave the way for future atomistic large-scale simulations of physical problems with system sizes on the μ-scale.

Keywords: Large-scale; molecular-dynamics simulations; data analysis; sphere rendering (search for similar items in EconPapers)
Date: 2004
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DOI: 10.1142/S0129183104005590

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