Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing
摘要
We present our perspective and goals on highperformance computing for nanoscience in accordance with the global trend toward "peta-scale computing." After reviewing our results obtained through the grid-enabled version of the fragment molecular orbital method (FMO) on the grid testbed by the Japanese Grid Project, National Research Grid Initiative (NAREGI), we show that FMO is one of the best candidates for peta-scale applications by predicting its effective performance in peta-scale computers. Finally, we introduce our new project constructing a peta-scale application in an open-architecture implementation of FMO in order to realize both goals of highperformance in peta-scale computers and extendibility to multiphysics simulations.
关键词
引用
@article{arxiv.cs/0701075,
title = {Open-architecture Implementation of Fragment Molecular Orbital Method for Peta-scale Computing},
author = {Toshiya Takami and Jun Maki and Jun-ichi Ooba and Yuichi Inadomi and Hiroaki Honda and Taizo Kobayashi and Rie Nogita and Mutsumi Aoyagi},
journal= {arXiv preprint arXiv:cs/0701075},
year = {2007}
}
备注
6 pages, 9 figures, proceedings of the 2nd IEEE/ACM international workshop on high performance computing for nano-science and technology (HPCNano06)