Beowulf-Class Computing Cluster

Contact person: Ben King
Location: Tan Hall 683 (Bergman group)

Beowulf clusters, which consist of closely linked commodity PC computers, provide significant computing power at moderate cost. This cluster consists of a dual 800 MHz server and six 1.2 GHz Athlon processors, with a total of 3.5 GB RAM and 380 GB of disk space; all machines run Linux.

TThe cluster is used for ab-initio and Density Functional Theory (DFT) calculations on organic and transition metal-containing organometallic systems. These calculations provide energies, geometries, and other physical properties of molecules and transition states. The available software includes Gaussian 98, Jaguar, GAMESS, and various visualization packages. Optimized geometries and energies of molecules containing up to 50 non-hydrogen molecules can be routinely calculated in a few days.

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