Performance Evaluation of LAMMPS on Multi-core Systems

被引：2

作者：

Cha, Kwangho ^{[1
]}

机构：

[1] Korea Inst Sci & Technol Informat, Natl Inst Supercomp & Networking, Taejon, South Korea

来源：

2013 IEEE 15TH INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING AND COMMUNICATIONS & 2013 IEEE INTERNATIONAL CONFERENCE ON EMBEDDED AND UBIQUITOUS COMPUTING (HPCC_EUC) | 2013年

关键词：

LAMMPS; Molecular Dynamics; Multi-core System;

D O I：

10.1109/HPCC.and.EUC.2013.117

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

With the widespread use of multi-core processors, specialized applications requiring parallel processing can be run on general desktops. In this study, we measure and analyze the parallel performance of LAMMPS, a classical well-known molecular dynamics code, on single multi-core systems. In order to check the parallel efficiency on single machines, the various types of simulations with LAMMPS were performed with MPI and OpenMP. Although LAMMPS was run on a single machine, MPI based LAMMPS showed higher performance, because LAMMPS has been designed based on MPI and only some part of LAMMPS was parallelized with OpenMP. The preliminary experiments also showed that the memory sub-system affects the performance of LAMMPS.

引用

页码：812 / 819

页数：8

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