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

Northwestern University, Evanston IL

Investigators

Abstract

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.