Cluster-based parallel simulation for large scale molecular dynamics in microscale thermophysics

被引：0
|
作者：
Shu, JW [1 ]
Wang, B [1 ]
Zheng, WM [1 ]
机构：
[1] Tsing Hua Univ, Dept Comp Sci & Technol, Inst HPC, Beijing 100084, Peoples R China
来源：
PARALLEL AND DISTRIBUTED PROCESSING AND APPLICATIONS, PROCEEDINGS | 2004年 / 3358卷
关键词：
D O I：
暂无
中图分类号：
TP301 [理论、方法];
学科分类号：
081202 ;
摘要：
A cluster-based spatial decomposition algorithm for solving large-scale Molecular Dynamics simulation of thermophysics is proposed. Firstly, three kinds of domain division strategies are provided and their efficiency and scalability are analyzed. Secondly, a method called FLNP (Fast Location of Neighboring Particles) to accelerate the location of neighboring particles is proposed, which greatly reduces the cost of calculation and communication of interaction. Additionally, a new memory management technique called AMM (Adaptive Memory Management) is applied to meet the large memory requirement. The parallel algorithm based on these above technologies was implemented on a cluster of SMPs and tested on a system of 6,912,000 particles and achieved an efficiency of 77.0%.
引用
收藏
页码：200 / 211
页数：12
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