Multibillion-atom molecular dynamics simulation: design considerations for vector-parallel processing

DOI10.1016/j.cpc.2005.11.008zbMath1196.81291OpenAlexW2134085999MaRDI QIDQ709880

D. C. Rapaport

Publication date: 18 October 2010

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2005.11.008

zbMATH Keywords

algorithmperformance evaluationparallel processingsupercomputermolecular dynamics simulationvector processing

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Molecular physics (81V55)

Related Items (2)

The linked neighbour list (LNL) method for fast off-lattice Monte Carlo simulations of fluids ⋮ Enhanced molecular dynamics performance with a programmable graphics processor

Uses Software

• MPI/MPICH

Cites Work

• A high-performance, portable implementation of the MPI message passing interface standard
• The Art of Molecular Dynamics Simulation

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