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

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

physics.chem-ph2023★ 1 cited

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

Rafael Ravedutti Lucio Machado, Jan Eitzinger, Jan Laukemann +3

Molecular dynamics (MD) simulations provide considerable benefits for the investigation and experimentation of systems at atomic level. Their usage is widespread into several resea…

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…