Simple and efficient algorithm for large scale molecular dynamics simulation in hard disk system

被引:65
作者
Isobe, M [1 ]
机构
[1] Kyushu Univ 33, Dept Phys, Fukuoka 8128581, Japan
来源
INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 1999年 / 10卷 / 07期
关键词
Event-Driven Molecular Dynamics; hard disk system; algorithm;
D O I
10.1142/S0129183199001042
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
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 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.
引用
收藏
页码:1281 / 1293
页数:13
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