Parallel molecular dynamics using OPENMP on a shared memory machine

DOI10.1016/S0010-4655(99)00432-4zbMath1043.81503OpenAlexW2086932303WikidataQ127633853 ScholiaQ127633853MaRDI QIDQ1971552

Christophe Chipot, Raphaël Couturier

Publication date: 11 November 2001

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(99)00432-4

zbMATH Keywords

parallelizationshared memory machinemolecular dynamics computations

Mathematics Subject Classification ID

Modes of computation (nondeterministic, parallel, interactive, probabilistic, etc.) (68Q10) Parallel numerical computation (65Y05) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Related Items (2)

Efficient parallel implementation of Ewald summation in molecular dynamics simulations on multi-core platforms ⋮ PPM -- a highly efficient parallel particle-mesh library for the simulation of continuum systems

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