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Simple And Efficient Algorithm For Large Scale Molecular Dynamics Simulation In Hard Disk System

Author

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  • MASAHARU ISOBE

    (Department of Physics, Kyushu University 33, Fukuoka 812-8581, Japan)

Abstract

A simple and efficient algorithm of the molecular-dynamics simulation of the hard disk system based on the Event-Driven method is developed. From the analysis of algorithm, the complexity is${\mathcal O} (\log N)$per 1 event, and the constant coefficient of the complexity is smaller than conventional efficient algorithm based on the concept of Cell-Crossing Event. The maximum performance of more than 460 millions of collisions per CPU-hour on the Alpha600 compatible in a 2500 particle system is achieved. An extension to the infinite-space system based on this algorithm is also proposed.

Suggested Citation

  • Masaharu Isobe, 1999. "Simple And Efficient Algorithm For Large Scale Molecular Dynamics Simulation In Hard Disk System," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 10(07), pages 1281-1293.
    • Handle: RePEc:wsi:ijmpcx:v:10:y:1999:i:07:n:s0129183199001042
    DOI: 10.1142/S0129183199001042
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