计算化学网格的研究与设计  

Research and Design of Computational Chemistry Grid

作　　者：赵广辉[1] 王春丽[1] 

机构地区：[1]武汉理工大学计算机科学与技术学院,武汉430070

出　　处：《计算机与数字工程》2008年第9期61-64,共4页Computer & Digital Engineering

摘　　要：提出一种计算化学网格的体系结构,从资源管理、作业管理和调度等方面对该体系结构进行了分析和设计。在实验室局域网环境下,采用Globus Toolkit 4.0(GT4)作为网格中间件,构建此计算化学网格。计算化学网格的设计和实现,不仅可以使得实验室内的计算资源得到充分的利用,扩大一些昂贵且不可复制资源的用户群,还能够消除资源孤岛和信息孤岛,为用户提供一个安全、可靠并可扩展的Web应用环境。The paper present a computational chemistry grid architecture and analyze the key parts of the architecture such as the resource management, job management and scheduler of the job. GT4, which is the most important part of the Computational Chemistry Grid, is used as the middleware to construct this grid in the environment of LANs in Lab. The design and implementation of the Computational Chemistry Grid, not only can make full utilize of the Lab＇s computing resource, expand the users of the expensive resources which can not be copied, but also can eliminate the isolated island of resources and information. At last, a security, reliable and extensible Web environment can be provided.

关 键 词：网格 计算网格 计算化学 GLOBUS TOOLKIT 4.0 

分 类 号：TP393[自动化与计算机技术—计算机应用技术]