Studying performance portability of LAMMPS across diverse GPU‐based platforms

Summary The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programmin...

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Veröffentlicht in:	Concurrency and computation 2023-12, Vol.35 (28), p.n/a
Hauptverfasser:	Hagerty, Nick, Melesse Vergara, Verónica G., Tharrington, Arnold
Format:	Artikel
Sprache:	eng
Schlagworte:	Application programming interface Finite element method Fourier transforms GPU accelerated computing Graphics processing units Libraries MATHEMATICS AND COMPUTING Molecular dynamics Particle accelerators performance portability Portability roofline model
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