Optimizing two-electron repulsion integral calculation on knights landing architecture

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

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.
优化骑士登陆结构的双电子排斥积分计算
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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