IMD: A Typical Massively Parallel Molecular Dynamics Code for Classical Simulations – Structure, Applications, Latest Developments

Johannes Roth ()
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Johannes Roth: Universität Stuttgart, Institut für Funktionelle Materalien und Quantentechnologien

A chapter in Sustained Simulation Performance 2013, 2013, pp 63-76 from Springer

Abstract: Abstract We give a short description of IMD, a classical molecular dynamics package for the simulation of condensed matter. The properties of molecular dynamics simulations will be given with examples of their implementation in IMD. We further report on multi-scale simulations with IMD, the determination of accurate interactions with potfit and the porting of IMD to GPUs.

Keywords: Molecular Dynamic Simulation; Thread Block; Classical Molecular Dynamic Simulation; Ewald Summation; External Library (search for similar items in EconPapers)
Date: 2013
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-319-01439-5_5

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DOI: 10.1007/978-3-319-01439-5_5

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