Cluster-Based Parallel Simulation for Large Scale Molecular Dynamics in Microscale Thermophysics
نویسندگان
چکیده
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%.
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تاریخ انتشار 2004