Regensburg 2010 – wissenschaftliches Programm
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DY: Fachverband Dynamik und Statistische Physik
DY 6: Poster Session I
DY 6.14: Poster
Montag, 22. März 2010, 16:00–18:00, Poster B2
Multithreading Monte Carlo simulations of polymer models — •Jonathan Gross1, Wolfhard Janke1, and Michael Bachmann2 — 1Institut für Theoretische Physik, Universität Leipzig, Postfach 100 920, 04009 Leipzig, Germany — 2Soft Matter Systems Research Group, Institut für Festkörperforschung (IFF-2), Forschungszentrum Jülich, 52425 Jülich, Germany
We discuss the advantages of parallelization by multithreading on multicore CPUs and GPUs for parallel tempering Monte Carlo computer simulations of an exemplified bead-spring model for homopolymers. Since the sampling of a large ensemble of conformations is a prerequisite for the precise estimation of statistical quantities such as typical indicators for conformational transitions like the peak structure of the specific heat, the advantage of a strong increase in performance in Monte Carlo simulations cannot be overestimated. Employing multithreading on standard multicore CPUs is a first step and utilizing the massive power of the large number of cores on graphics processing units (GPUs), available in modern but standard graphics cards, is a second one. We have compared both approaches and find a noticeable increase of efficiency when porting parts of the code to the GPU.