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

{"title":"优化骑士登陆结构的双电子排斥积分计算","authors":"Yingqi Tian, B. Suo, Yingjin Ma, Zhong Jin","doi":"10.1145/3176364.3176371","DOIUrl":null,"url":null,"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.","PeriodicalId":371083,"journal":{"name":"Proceedings of Workshops of HPC Asia","volume":"80 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2018-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Optimizing two-electron repulsion integral calculation on knights landing architecture\",\"authors\":\"Yingqi Tian, B. Suo, Yingjin Ma, Zhong Jin\",\"doi\":\"10.1145/3176364.3176371\",\"DOIUrl\":null,\"url\":null,\"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.\",\"PeriodicalId\":371083,\"journal\":{\"name\":\"Proceedings of Workshops of HPC Asia\",\"volume\":\"80 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2018-01-31\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Proceedings of Workshops of HPC Asia\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1145/3176364.3176371\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Proceedings of Workshops of HPC Asia","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1145/3176364.3176371","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}

引用次数: 0

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。

查看原文本刊更多论文

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.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Proceedings of Workshops of HPC Asia

自引率

0.00%

发文量