Enhanced molecular dynamics performance with a programmable graphics processor

DOI10.1016/j.cpc.2010.12.029zbMath1221.82013arXiv0911.5631OpenAlexW2144574395MaRDI QIDQ634067

D. C. Rapaport

Publication date: 2 August 2011

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/0911.5631

zbMATH Keywords

performance evaluationmolecular dynamics simulationCUDAGPUcomputer architectureoptimized algorithmgraphics processor

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Numerical algorithms for specific classes of architectures (65Y10)

Related Items (4)

Massively parallel Monte Carlo for many-particle simulations on GPUs ⋮ A GPU-based large-scale Monte Carlo simulation method for systems with long-range interactions ⋮ GPU implementations of the Bond fluctuation model ⋮ Pseudo-random number generation for Brownian dynamics and dissipative particle dynamics simulations on GPU devices

Uses Software

• CUDA

Cites Work

• Multibillion-atom molecular dynamics simulation: design considerations for vector-parallel processing
• General purpose molecular dynamics simulations fully implemented on graphics processing units
• The Art of Molecular Dynamics Simulation

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