GPU acceleration

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    Gromacs version 4.6 and later include a brand-new native GPU acceleration developed in Stockholm under the framework of a grant from the European Research Council (#209825), with heroic efforts in particular by Szilard Pall. This replaces all previous trial GPU code, and comes with a number of important features:


    • The new GPU code is fast, and we mean it. Rather than speaking about relative speed, or speedup for a few special cases, this code is typically much faster (3-5x) even when compared to Gromacs running on all cores of a typical desktop. If you put two GPUs in a high-end cluster node, this too will result in a significant acceleration.
    Page last modified 07:00, 4 Nov 2013 by lindahl