Supercomputing for Molecular Dynamics Simulations (eBook) von Alexander Heinecke
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Handling Multi-Trillion Particles in Nanofluidics
eBook
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ISBN-13:
9783319171487
Veröffentl:
2015
Einband:
eBook
Seiten:
76
Autor:
Alexander Heinecke
Serie:
SpringerBriefs in Computer Science
eBook Format:
PDF
eBook-Typ:
Reflowable eBook
Kopierschutz:
Digital Watermark [Social-DRM]
Sprache:
Englisch
Inhaltsverzeichnis
Introduction.- Molecular Dynamics Simulation.- Parallelization of MD Algorithms and Load Balancing.- Efficient Implementation of the Force Calculation in MD Simulations.- Experiments.- Conclusion.
Beschreibung
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.
Schlagwörter zu:
Supercomputing for Molecular Dynamics Simulations von Alexander Heinecke - mit der ISBN: 9783319171487
Distributed and Shared-Memory Parallelization; Fluid Dynamics; High Performance Computing; Molecular Dynamics Simulation; Trillion Particles; C; Engineering Fluid Dynamics; Computer Modelling; Special Purpose and Application-Based Systems; System Performance and Evaluation; Computer Science, Online-Buchhandlung
Kunden Rezensionen: Supercomputing for Molecular Dynamics Simulations | Buch oder eBook | Alexander Heinecke
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