Acquisition of an Integrated Network Server System for Research and Education in Chemistry and Materials

这项IMR奖为西北大学提供了购买SMTP服务器集群的资金，这些服务器采用位操作系统、大容量内存子系统和Myrnet(中速)互连。这个星系团将用于西北大学的计算化学和材料科学研究，特别是在电子结构、计算电磁学以及蒙特卡洛和分子动力学计算中的应用，在这些计算中，大容量存储能力是必不可少的。还将重点介绍分布式并行应用程序。该集群还将用于工程和科学的研究生和本科生课程，以及REU、REST、MRSEC和其他使用需要大容量存储能力的软件的倡议。这项IMR奖为西北大学提供资金，用于购买将用于化学和工程计算材料研究的计算机集群，并用于相关的教育项目。此群集中的计算机将具有特殊的性能特征，从而可以运行需要非常大量的计算机内存的程序，此外还允许多台计算机在同一程序上并行运行。要考虑的研究应用包括对材料的广泛性质进行建模，包括结构、能量、与光的相互作用、原子的运动、薄膜和图案的制作以及热性质。计算机集群将用于广泛的教育项目，包括计算建模课程、实验室和暑期研究项目。

This IMR award provides Northwestern University with funds for the acquisition of a cluster of SMTP servers, having a 64-bit operating system, with a large memory subsystem and with Myrinet (medium speed) interconnects. This cluster will be used for computational chemistry and materials science research at Northwestern University, particularly applications in electronic structure, in computational electromagnetics, and in Monte Carlo and molecular dynamics calculations where large memory capabilities are essential. Distributed parallel applications will also be emphasized. The cluster will also be used in graduate and undergraduate courses in engineering and sciences, and in REU, REST, MRSEC and other initiatives which use software that require large memory capabilities.This IMR award provides Northwestern University with funds for the acquisition of a cluster of computers that will be used for computational materials research in chemistry and engineering, and for related educational programs. The computers in this cluster will have specialized performance characteristics which make it possible to run programs that require an exceptionally large amount of computer memory, and which in addition allow for several computers to run in parallel on the same program. Research applications to be considered include the modeling of a wide range of properties of materials, including structures, energies, interaction with light, motions of atoms, making films and patterns, and thermal properties. The computer cluster will be used in a wide variety of educational programs, including computational modeling courses, laboratories and summer research programs.