Coupled applications on distributed resources

被引：8

作者：

Coveney, P. V.

De Fabritiis, G.

Harvey, M. J.

Pickles, S. M.

Porter, A. R.

机构：

[1] UCL, Dept Chem, Ctr Computat Sci, London WC1H 0AJ, England

[2] Univ Manchester, Manchester M13 9PL, Lancs, England

来源：

COMPUTER PHYSICS COMMUNICATIONS | 2006年 / 175卷 / 06期

基金：

英国生物技术与生命科学研究理事会; 英国工程与自然科学研究理事会;

关键词：

molecular dynamics; fluid dynamics; coupled models; Grid computing; computational steering; online visualization;

D O I：

10.1016/j.cpc.2006.05.008

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Coupled models are set to become increasingly important in all aspects of science and engineering as tools with which to study complex systems in an integrated manner. Such coupled, hybrid simulations typically communicate data between the component models of which they are comprised relatively infrequently, and so a Grid is expected to present an ideal architecture on which to run them. In the present paper, we describe a simple, flexible and extensible architecture for a two-component hybrid molecular-continuum coupled model (hybrid MD). We discuss its deployment on distributed resources and the extensions to the RealityGrid computational-steering system to handle coupled models. (c) 2006 Published by Elsevier B.V.

引用

页码：389 / 396

页数：8