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Individual research groups in the Chemistry Department maintain an assortment of computers for their specific research needs. These include Unix, PC, and Macintosh systems. The Department also houses a Molecular Modeling Laboratory comprised of a Silicon Graphics computer and SYBYL molecular modeling software (Tripos Associates, Inc.). Five Silicon Graphics workstations are also available locally as part of the ASN's University of Alabama Visualization Laboratory. In addition to programming languages, libraries and programming tools, the computational chemistry and molecular modeling codes UNICHEM 3.0 and SYBYL 6.1 are resident on these workstations.
The University of Alabama has an excellent campus-wide computer facility. Centralized computing resources include a Sun Enterprise 6000 server system, a Sun Enterprise 4000 server, and an IBM 9672-R53 Enterprise Server. More information about this hardware, as well as University support for hardware, software, and networking, can be found at the Seebeck Computer Center website.
In addition, the Alabama Supercomputer Center provides access to an SGI Altix 350 and CRAY XD1 supercomputers, located in Huntsville and linked via high-speed communication lines to Tuscaloosa and other sites of higher education within the State of Alabama.The SGI Altix 350 system has 56 CPUs running in parallel providing a total of 280 gigaflops (floating point operations per second). The Cray XD1, which will be completed November 2004, is composed of 144 CPUs capable of 680 gigaflops.
A wide variety of scientific and math-related software is available for use on these computers, including many computation chemistry and crystallography programs. Sixty percent of the Authority's supercomputer resources are set aside for the State's universities, the other forty percent for Alabama industry. Alabama was the first state to fund and operate a statewide high-speed supercomputer network for the dual purpose of academic research and industrial development. Both the State and the University provide large amounts of computer time for computational chemistry and other calculational-based research activities.
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