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Supercomputing for Molecular Dynamics Simulations Handling Multi-Trillion Particles in Nanofluidics /

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 re...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Heinecke, Alexander (Autor), Eckhardt, Wolfgang (Autor), Horsch, Martin (Autor), Bungartz, Hans-Joachim (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Cham : Springer International Publishing : Imprint: Springer, 2015.
Edición:1st ed. 2015.
Colección:SpringerBriefs in Computer Science,
Temas:
Acceso en línea:Texto Completo

MARC

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505 0 |a Introduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion. 
520 |a 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. 
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650 2 4 |a Engineering Fluid Dynamics. 
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700 1 |a Horsch, Martin.  |e author.  |4 aut  |4 http://id.loc.gov/vocabulary/relators/aut 
700 1 |a Bungartz, Hans-Joachim.  |e author.  |4 aut  |4 http://id.loc.gov/vocabulary/relators/aut 
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