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Molecular dynamics for long-range interacting systems on Graphic Processing Units

Tarcisio M. Rocha Filho
Instituto de Fisica and International Center for Condensed Matter Physics, Universidade de Brasilia, CP: 04455, 70919-970 – Brasilia, Brazil
arXiv:1212.0262 [physics.comp-ph] (3 Dec 2012)

@article{2012arXiv1212.0262R,

   author={Rocha Filho}, T.~M.},

   title={"{Molecular dynamics for long-range interacting systems on Graphic Processing Units}"},

   journal={ArXiv e-prints},

   archivePrefix={"arXiv"},

   eprint={1212.0262},

   primaryClass={"physics.comp-ph"},

   keywords={Physics – Computational Physics, Condensed Matter – Statistical Mechanics},

   year={2012},

   month={dec},

   adsurl={http://adsabs.harvard.edu/abs/2012arXiv1212.0262R},

   adsnote={Provided by the SAO/NASA Astrophysics Data System}

}

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We present implementations of a fourth-order symplectic integrator 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.
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