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Molecular Dynamics Simulation On Commodity Shared-Memory Multiprocessor Systems With Lightweight Multithreading.

J. Thornley, M. Hui, Hao Li, Tahir Çağın, William A. Goddard III

2009Molecular Dynamics Simulation On Commodity Shared-Memory Multiprocessor Systems With Lightweight Multithreading

Abstract

Because of the time required to simulate systems with realistic numbers of particles, a great deal of research has been devoted to parallel N-body simulation. Most of this research has focused on the development of sophisticated strategies for data distribution and load balancing on message -passing systems. In this paper, we investigate the implications of the recent advent of powerful commodity shared-memory multiprocessor systems with large caches and support for lightweight multithreading. As the basis of our investigation, we have ported a large parallel molecular dynamics simulation program (MPSim) to a lightweight multithreaded implementation for Intel Pentium family multiprocessors running Windows NT. We compare the performance of our lightweight multithreaded version of MPSim running on commodity multiprocessors with that of previous versions running on expensive parallel supercomputers. In particular, we test the hypothesis that data distribution and load balancing can be sig...

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Thornley, J., Hui, M., Li, H., Çağın, T., & III, W. A. G. (2009). Molecular Dynamics Simulation On Commodity Shared-Memory Multiprocessor Systems With Lightweight Multithreading.. *Molecular Dynamics Simulation On Commodity Shared-Memory Multiprocessor Systems With Lightweight Multithreading*.