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20222024
most citedMD-Bench: Engineering the in-core performance of short-range molecular dynamics kernels from state-of-the-art simulation packages

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physics.comp-ph2022

MD-Bench: A generic proxy-app toolbox for state-of-the-art molecular dynamics algorithms

Rafael Ravedutti Lucio Machado, Jan Eitzinger, Harald Köstler +1

Proxy-apps, or mini-apps, are simple self-contained benchmark codes with performance-relevant kernels extracted from real applications. Initially used to facilitate software-hardwa…