Journal
INTERNATIONAL JOURNAL OF MODERN PHYSICS C
Volume 19, Issue 9, Pages 1315-1319Publisher
WORLD SCIENTIFIC PUBL CO PTE LTD
DOI: 10.1142/S0129183108012911
Keywords
Molecular dynamics; BlueGene/L; high performance computing; SPaSM; large-scale; trillion-atom; visualization
Funding
- Advanced Simulation and Computing (ASC) program [DE-AC52-06NA25396]
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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.
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