Molecular dynamics for long-range interacting systems on graphic processing units

We present implementations of the numerical integration of systems with long-range interactions on graphic processing units for three N-body models with long-range interactions of general interest: the Hamiltonian Mean Field, Ring and two-dimensional self-gravitating models. We discuss the algorithm...

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Published in:Computer physics communications 2014-05, Vol.185 (5), p.1364-1369
Main Author: Rocha Filho, Tarcísio M.
Format: Article
Language:English
Subjects:
Algorithms
Dynamical systems
Errors
Graphics processing units
Gravitation
Long-range interaction
Mathematical models
Molecular dynamics
Serials
Symplectic integrator
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description We present implementations of the numerical integration of systems with long-range interactions on graphic processing units for three N-body models with long-range interactions of general interest: the Hamiltonian Mean Field, Ring and two-dimensional self-gravitating models. We discuss the algorithms, speedups and errors using one and two GPU units. Speedups can be as high as 140 compared to a serial code, and the overall relative error in the total energy is of the same order of magnitude as for the CPU code. The number of particles used in the tests range from 10,000 to 50,000,000 depending on the model.
doi_str_mv 10.1016/j.cpc.2014.01.008
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subjects Algorithms
Dynamical systems
Errors
Graphics processing units
Gravitation
Long-range interaction
Mathematical models
Molecular dynamics
Serials
Symplectic integrator
title Molecular dynamics for long-range interacting systems on graphic processing units
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