An Evaluation of Molecular Dynamics Performance on the Hybrid Cray XK6 Supercomputer

W. Michael Brown, Trung D. Nguyen, Miguel Fuentes-Cabrera, Jason D. Fowlkes, Philip D. Rack, Mark Berger, Arthur S. Bland. An Evaluation of Molecular Dynamics Performance on the Hybrid Cray XK6 Supercomputer. In Hesham H. Ali, Yong Shi, Deepak Khazanchi, Michael Lees, G. Dick van Albada, Jack Dongarra, Peter M. A. Sloot, editors, Proceedings of the International Conference on Computational Science, ICCS 2012, Omaha, Nebraska, USA, 4-6 June, 2012. Volume 9 of Procedia Computer Science, pages 186-195, Elsevier, 2012. [doi]

Abstract

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