Parallel Q-Chem 1.2 Now Available for IBM SP2
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We are happy to announce that Q-Chem 1.2 now is available on IBM SP2 systems in parallel calculations. Excellent parallel performance is achieved, as shown in the graph below. The parallelized features include HF and DFT single-point and gradient, and geometry optimizations.
IBM SP2 is a high performance parallel computing system and being used widely by quantum chemistry community. Parallel calculations on those systems will allow Q-Chem users to take the full advantage of the system's parallel architecture and to be more productive in their research.
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