Research Initiation: Multiprocessor Systems for Particle Simulation Studies

该研究启动项目的目标是确定在多处理系统上执行模拟研究的最有效方法。分子动力学将是选择的特定问题类别，其中将为Inmos Transputer(消息传递并行处理系统)和BBN+(共享内存并行机)开发模拟代码。对于这类问题，将确定共享内存和消息传递范例的相对优点。现有的连续分子动力学代码将首先适应两台机器上的并行环境；性能评估方法将确定系统性能的瓶颈。代码将被迭代，从而导致连续更有效的实现。

The objective of this Research Initiation project is to determine the most effective method of performing simulation studies on a multiprocessing system. Molecular Dynamics will be the specific class of problem chosen where simulation codes will be developed for both a INMOS Transputer, a message-passing parallel processing system, and a BBN+, a shared-memory parallel machine. The relative merits of the shared-memory and message-passing paradigms for this class of problems will be determined. An existing sequential Molecular Dynamics code will first be adapted to a parallel environment on each of the two machines; performance evaluation methods will identify the bottlenecks in system performance. The codes will be iterated, resulting in successively more efficient implementations.