Huge-scale molecular dynamics simulation of multibubble nuclei

Hiroshi Watanabe, Masaru Suzuki, Nobuyasu Ito

研究成果: Article査読

15 被引用数 (Scopus)

抄録

We have developed molecular dynamics codes for a short-range interaction potential that adopt both the flat-MPI and MPI/OpenMP hybrid parallelizations on the basis of a full domain decomposition strategy. Benchmark simulations involving up to 38.4 billion Lennard-Jones particles were performed on Fujitsu PRIMEHPC FX10, consisting of 4800 SPARC64 IXfx 1.848 GHz processors, at the Information Technology Center of the University of Tokyo, and a performance of 193 teraflops was achieved, which corresponds to a 17.0% execution efficiency. Cavitation processes were also simulated on PRIMEHPC FX10 and SGI Altix ICE 8400EX at the Institute of Solid State Physics of the University of Tokyo, which involved 1.45 billion and 22.9 million particles, respectively. Ostwald-like ripening was observed after the multibubble nuclei. Our results demonstrate that direct simulations of multiscale phenomena involving phase transitions from the atomic scale are possible and that the molecular dynamics method is a promising method that can be applied to petascale computers.

本文言語English
ページ(範囲)2775-2784
ページ数10
ジャーナルComputer Physics Communications
184
12
DOI
出版ステータスPublished - 2013 12月
外部発表はい

ASJC Scopus subject areas

  • ハードウェアとアーキテクチャ
  • 物理学および天文学(全般)

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