TRILLION-ATOM MOLECULAR DYNAMICS BECOMES A REALITY

Timothy C. Germann () and Kai Kadau ()
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Timothy C. Germann: Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
Kai Kadau: Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA

International Journal of Modern Physics C (IJMPC), 2008, vol. 19, issue 09, 1315-1319

Abstract: By utilizing the molecular dynamics codeSPaSMon Livermore's BlueGene/L architecture, consisting of 212 992 IBM PowerPC440 700 MHz processors, a molecular dynamics simulation was run with one trillion atoms. To demonstrate the practicality and future potential of such ultra large-scale simulations, the onset of the mechanical shear instability occurring in a system of Lennard-Jones particles arranged in a simple cubic lattice was simulated. The evolution of the instability was analyzed on-the-fly using the in-house developed massively parallel graphical object-rendering codeMD_render.

Keywords: Molecular dynamics; BlueGene/L; high performance computing; SPaSM; large-scale; trillion-atom; visualization; 07.05.Tp; 83.10.Rp; 71.15.Pd (search for similar items in EconPapers)
Date: 2008
References: View complete reference list from CitEc
Citations: View citations in EconPapers (1)

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DOI: 10.1142/S0129183108012911

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