MRI: Acquisition of a High-Performance Computing Cluster Environment in Support of Scientific and Engineering Applications

该项目获得了一个高性能的分布式内存集群，将使计算能力强的技术能够应用于各种学科。该集群旨在支持以下项目：-研究溶剂在催化有机金属转化中的作用，-节肢动物进化多样化研究，-先进发动机的计算流体动力学发展，-电压门控钾通道的分子动力学模拟，Kv1.3，- p53结合S100蛋白的研究，-有机分子晶体爆炸性质的全电子研究。减少大气中汞化合物排放风险的策略。讨论了每一种应用，并给出了计算方法及其硬件和软件要求。提出了一种包含快速互连和多达256个处理器、2gb本地内存以及几个TBytes在线存储的系统。

This project, acquiring a high-performance distributed-memory cluster, will enable computationally aggressive techniques to be applied in a variety of disciplines. This cluster is designed to support the following projects:-Investigating the role of solvent in catalytic organometallic transformations,-Study of arthropod evolutionary diversification,-Computational fluid dynamics development of advanced engines,-Molecular dynamics simulations of the voltage-gated potassium channel, Kv1.3,-Study of p53-binding S100 proteins,-All-electron studies on the explosive nature of organic molecular crystals, and-Strategies to reduce the risk associated with the atmospheric emission of Hg compounds.Each of these applications is discussed and computational methods to be employed and their hardware and software requirements are presented. A system including fast interconnect and up to 256 processors with 2 GBytes of local memory, accompanied by several TBytes of online storage, is proposed.