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:
Electronic digital computers-Evaluation.
Computer simulation.
Fluid mechanics.
Computers, Special purpose.
System Performance and Evaluation.
Computer Modelling.
Engineering Fluid Dynamics.
Special Purpose and Application-Based Systems.
Acceso en línea:Texto Completo
Descripción
Sumario: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.
Descripción Física:X, 76 p. 35 illus., 13 illus. in color. online resource.
ISBN:9783319171487
ISSN:2191-5776

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