评估分子动力学计算的并行语言

Proceedings Scalable High Performance Computing Conference SHPCC-92. Pub Date : 1992-04-26 DOI:10.1109/SHPCC.1992.232682

T. Clark, R. V. Hanxleden, K. Kennedy, C. Koelbel, L.R. Scott

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引用次数: 20

摘要

本文描述了将基本分子动力学计算移植到分布式存储机器上的可行性。在此过程中，它展示了程序注释如何帮助并行化中等复杂的代码。它还认为，在并行化中，算法替换可能是必要的，并行化是一项不能自动执行的任务。本文最后给出了一个并行GROMOS实现的一些结果。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Evaluating parallel languages for molecular dynamics computations

The paper describes the practicalities of porting a basic molecular dynamics computation to a distributed-memory machine. In the process, it shows how program annotations can aid in parallelizing a moderately complex code. It also argues that algorithm replacement may be necessary in parallelization, a task which cannot be performed automatically. The paper closes with some results from a parallel GROMOS implementation.<>

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Proceedings Scalable High Performance Computing Conference SHPCC-92.

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