A Proposed Enhancement of the Rhode Island Network for Computational Chemistry and Physics

Brown University, Providence RI

Investigators

Abstract

With support from the Chemistry Research Instrumentation and Facilities (CRIF) Program, the Departments of Chemistry at Brown University and at the University of Rhode Island will acquire a computer system to enhance the Rhode Island Network for Computational Chemistry and Physics. The system will consist of Internet-2 linked computing clusters at Brown and URI. Clusters at each institution will have a hybrid structure composed of two distinct layers. Layer-I, the natural compute server for CPU-intensive, communications-tolerant applications, will consist of a larger number of loosely coupled processors. Layer-II, designed for more communications-intensive applications, will be a smaller, more tightly coupled sub-cluster. This equipment will enhance research in the following areas: a) structure structure (Freeman); b) the dynamical behavior of liquids (Stratt); c) the generation of excited states of strongly quantum systems (Nightingale); and d) many-body quantum dynamics (Doll). A cluster of fast, modern computer workstations is vital to serving the computing needs of active research departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, provides state-of-the-art graphics and visualization facilities, and supports research in state-of-the-art applications of parallel processing.