一个高分子模拟计算网格的资源管理

RESOURCE MANAGEMENT IN A MACROMOLECULAR SIMULATION COMPUTATIONAL GRID

主要介绍了一个高分子模拟计算网格平台资源管理的研究与实现。该计算网格的资源平台是集群式高性能计算机系统,接口采用了Globus3.2GRAM,符合OGSA的标准。对于集群式高性能计算机系统的管理采用OpenPBS。由于OpenPBS不支持Globus3.2,因此扩展了OpenPBS的相关组件。同时还为计算任务提供了checkpoint机制,给用户的计算程序提供了容错功能。实践结果表明,本软件很好地实现了计算网格的资源管理。

The paper addresses the design and implementation of resource managing in a computational grid which mainly support macromolecule simulation tasks. The grid resource platform is based on high performance computing clusters whose job scheduler OpenPBS does not support Globus Toolkit 3.2 directly. So a modified OpenPBS is provided to integrate the clusters of OpenPBS with Globus Toolkit 3. x in grid environment. The modification also include a user level checkpoint mechanism on the computing tasks to offer a fault-tolerant service for users.