Supercomputing for Molecular Dynamics Simulations
Handling Multi-Trillion Particles in Nanofluidics
(Sprache: Englisch)
This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking...
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Klappentext zu „Supercomputing for Molecular Dynamics Simulations “
This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.
Inhaltsverzeichnis zu „Supercomputing for Molecular Dynamics Simulations “
Introduction.- Molecular Dynamics Simulation.- Parallelization of MD Algorithms and Load Balancing.- Efficient Implementation of the Force Calculation in MD Simulations.- Experiments.- Conclusion.
Autoren-Porträt von Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz
Dr. Hans-Joachim Bungartz ist Referent des Bayerischen Forschungsverbunds für technisch-wissenschaftliches Hochleistungsrechnen (FORTWIHR).
Bibliographische Angaben
- Autoren: Alexander Heinecke , Wolfgang Eckhardt , Martin Horsch , Hans-Joachim Bungartz
- 2015, 2015, X, 76 Seiten, 13 farbige Abbildungen, Maße: 15,5 x 23,5 cm, Kartoniert (TB), Englisch
- Verlag: Springer, Berlin
- ISBN-10: 331917147X
- ISBN-13: 9783319171470
- Erscheinungsdatum: 09.04.2015
Sprache:
Englisch
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