一种提供容错性保障的药物设计网格环境

针对药物虚拟筛选操作运行时间长、易出错等问题,设计并实现了药物设计网格(DDGrid),有效聚合了中国国家网格环境中闲散的资源,形成了支持高通量药物虚拟筛选的网格环境.所设计的DDGrid网格实现了基于复杂事件处理技术的有状态故障检测机制,通过持续分析节点间交互的事件流,定位可能的故障场景并触发相应的补偿操作来减少故障导致的损失,为系统提供了容错性保障.实验结果表明,有故障检测机制可以通过监测筛选任务运行情况对超时阀值进行动态调整,使得任务实际完成时间和理论完成时间之间的差值保持在10%以内,同时提高了底层计算资源的利用率.

A Drug Discovery Grid Environment with Fault-Tolerance Support

In order to resolve the long running and error-prone problems in virtual screening,a drug discovery grid(DDGrid)is designed and implemented to establish a grid environment.The environment utilizes idie resources scattered over the CNGrid environment to support high-throughput virtual screening.The DDGrid implements stateful fault detection mechanism based on a complex event processing technology,and provides fault-tolerance support through continu-ously analyzing the exchanging event streams among different nodes,locating possible faulty situ-ations and triggering the corresponding compensating operations to minimize the possible loss.Experimental resuIts show that the fault detection mechanism keeps the difference between the actual task procass time and the theoretical value within 10%through adj usting timeout threshold in the runtime,and improves the usage of underlying computing resources.