Development of Wide-Area Distributed Coupled Simulation Techniques Utilizing Remote Computing Resources Simultaneously

为了实现一对同时利用分布在广域上的计算资源的模拟程序，本文对以下几个问题进行了研究：(1)耦合候选模拟程序的分析针对两个通过磁盘文件交换输入输出数据的分子动力学模拟程序进行微观分析。大规模并行程序的行为和性能估计研究针对进程数量极大的大规模MPI程序，研究了行为和性能估计技术。广域分布耦合仿真网络用户界面的开发耦合仿真必须同时访问多个计算资源。因此，该项目还将重点放在网格门户上，该门户可以自动将抽象的工作定义转换为个别资源候选人可以接受的具体工作描述。由于类似的原因，还研究了多个站点的集体认证机制。

To implement a pair of simulation programs which simultaneously utilize computing resources distributed in wide-area, the following issues were studied.(1) Analysis of candidate simulation programs for couplingMicroscopic analysis was made for a pair of molecular dynamics simulation programs which exchanges input and output data through disk files. The feasibility and the effectiveness of remote parallel pipes were verified for the coupled simulations.(2) Estimation of behavior and performance of large-scale parallel programsBehavior and performance estimation techniques were studied for large-scale MPI programs having an extremely large number of processes. The result was utilized for further optimization studies.(3) Development of web user interfaces for wide-area distributed coupled simulationsMultiple computing resources must be simultaneously accessed for coupled simulations. Therefore, this project also focused on a grid portal which automatically translates an abstract job definition into specific job descriptions acceptable in individual resource candidates. Collective authentication mechanisms for multiple sites were also studied due to similar reasons.