On-Board Multi-GPU Molecular Dynamics

Author:

Novalbos Marcos,Gonzalez Jaime,Otaduy Miguel Angel,Lopez-Medrano Alvaro,Sanchez Alberto

Publisher

Springer Berlin Heidelberg

Reference25 articles.

1. Barth, E., Schlick, T.: Extrapolation versus impulse in multiple-timestepping schemes. II. Linear analysis and applications to Newtonian and Langevin dynamics. Chemical Physics 109, 1633–1642 (1998)

2. Clark, T.W., McCammon, J.A.: Parallelization of a molecular dynamics non-bonded force algorithm for MIMD architecture. Computers & Chemistry, 219–224 (1990)

3. Grubmüller, H.: Dynamiksimulation sehr großer Makromoleküle auf einem Parallelrechner. Diplomarbeit, Technische Universität München, Physik-Department, T 30, James-Franck-Straße, 8046 Garching (1989)

4. Harvey, M.J., Giupponi, G., Fabritiis, G.D.: ACEMD: Accelerating Biomolecular Dynamics in the Microsecond Time Scale. Journal of Chemical Theory and Computation 5(6), 1632–1639 (2009)

5. Hess, B., Kutzner, C., van der Spoel, D., Lindahl, E.: GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation. Journal of Chemical Theory and Computation 4(3), 435–447 (2008)

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