Performance and Portability of State-of-Art Molecular Dynamics Software on Modern GPUs

Evgeny Kuznetsov, Nikolay Kondratyuk, Mikhail Logunov, Vsevolod P. Nikolskiy, Vladimir V. Stegailov. Performance and Portability of State-of-Art Molecular Dynamics Software on Modern GPUs. In Roman Wyrzykowski, Ewa Deelman, Jack J. Dongarra, Konrad Karczewski, editors, Parallel Processing and Applied Mathematics - 13th International Conference, PPAM 2019, Bialystok, Poland, September 8-11, 2019, Revised Selected Papers, Part I. Volume 12043 of Lecture Notes in Computer Science, pages 324-334, Springer, 2019. [doi]

Abstract

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