优化骑士登陆结构的双电子排斥积分计算

Proceedings of Workshops of HPC Asia Pub Date : 2018-01-31 DOI:10.1145/3176364.3176371

Yingqi Tian, B. Suo, Yingjin Ma, Zhong Jin

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摘要

本文介绍了用于优化Knights Landing结构双电子斥力积分计算的一些优化方法。我们开发了并行化和矢量化的时间表，并比较了两种不同的方法来计算下不完全伽马函数。我们的优化在KNL平台上的速度比CPU平台提高了1.7倍。

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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Optimizing two-electron repulsion integral calculation on knights landing architecture

In this paper, we introduced some optimization methods we used to optimize two-electron repulsion integral calculation on Knights Landing architecture. We developed a schedule for parallelism and vectorization, and we compared two different methods for calculating lower incomplete gamma function. Our optimization achieved 1.7 speedup on KNL than CPU platform.

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Proceedings of Workshops of HPC Asia

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