用于MD模拟的工作站集群和MD- grape 2的性能和成本效益

Second International Symposium on Parallel and Distributed Computing, 2003. Proceedings. Pub Date : 2003-10-13 DOI:10.1109/ISPDC.2003.1267670

J. Sumanth, D. Swanson, Hong Jiang

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引用次数: 10

摘要

分子动力学(MD)模拟是在各种大小的系统上进行的，最高可达3200万个原子。性能比较了MD- grape 2板，专门为MD优化的硬件，和一个通用的集群计算机利用不同数量的处理器来实现短期和长期的潜力。虽然有足够数量的处理器可以胜过单个MD-GRAPE 2板，但与本地集群的测试和原始购买价格的比较表明，MD-GRAPE 2板通常具有成本效益。讨论了潜在的特定注意事项。

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Performance and cost effectiveness of a cluster of workstations and MD-GRAPE 2 for MD simulations

Molecular dynamics (MD) simulations are performed on systems of various sizes up to 32 million atoms. Performance is compared between an MD-GRAPE 2 board, specialized hardware optimized for MD, and a general purpose cluster computer utilizing varied numbers of processors for both short- and long-range potentials. While it is possible to outperform a single MD-GRAPE 2 board with a sufficient number of processors, tests verses a local cluster and comparison of original purchase price show the MD-GRAPE 2 board is often cost-effective. Potential-specific considerations are discussed.

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Second International Symposium on Parallel and Distributed Computing, 2003. Proceedings.

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