Facilities

The Theoretical Chemistry Section has access to a wide variety of computational resources ranging from workstations to state-of-the-art supercomputers. Computers operated by the section include three Linux Beowulf-class parallel processing clusters.  The most recent cluster runs Red Hat Enterprise Linux on 1 head node and 47 compute nodes, each with 2 quad-core 2.66GHz Intel Xeon processors and 16GB of Random-Access Memory (giving a total of 384 processor cores and 768GB of RAM). The nodes communicate via Gigabit Ethernet.  Other computational resources are readily available through the DoD High-Performance Supercomputer Centers, including SGI Origin 3800, Sunfire 6800, and Cray MTA-2 computers located at NRL.