TRILLION-ATOM MOLECULAR DYNAMICS BECOMES A REALITY

被引：65

作者：

Germann, Timothy C. ^{[1
]}

Kadau, Kai ^{[1
]}

机构：

[1] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 2008年 / 19卷 / 09期

关键词：

Molecular dynamics; BlueGene/L; high performance computing; SPaSM; large-scale; trillion-atom; visualization;

D O I：

10.1142/S0129183108012911

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

By utilizing the molecular dynamics code SPaSM on Livermore's BlueGene/L architecture, consisting of 212992 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 code MD-render.

引用

页码：1315 / 1319

页数：5

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