Early performance data on the Blue Matter molecular simulation framework

被引：15

作者：

Germain, RS

Zhestkov, Y

Eleftheriou, M

Rayshubskiy, A

Suits, F

Ward, TJC

Fitch, BG

机构：

[1] IBM Corp, Div Res, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA

[2] IBM United Kingdom Ltd, Winchester SO21 2JN, Hants, England

来源：

IBM JOURNAL OF RESEARCH AND DEVELOPMENT | 2005年 / 49卷 / 2-3期

关键词：

D O I：

10.1147/rd.492.0447

中图分类号：

TP3 [计算技术、计算机技术];

学科分类号：

0812 ;

摘要：

Blue Matter is the application framework being developed in conjunction with the scientific portion of the IBM Blue Gene((R)) project. We describe the parallel decomposition currently, being used to target the Blue Gene/L machine and discuss the application-based trace tools used to analyze the performance of the application. We also present the resuits of early performace studies, including a comparison of the performance of the Ewald and the particle-particle particle-mesh (P3ME) methods, compare the measured performance of some key collective operations with the limitations imposed by the hardware, and discuss some future directions for research.

引用

页码：447 / 455

页数：9

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