T�tulo: Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics (SpringerBriefs in Computer Science) [Paperback] Heinecke, Alexander; Eckhardt, Wolfgang; Horsch, Martin and Bungartz, Hans-Joachim (eng)
Editor: Springer Vieweg
Fecha de publicaci�n: 2015
Idioma: Ingl�s
ISBN 10: 331917147X
ISBN 13: 9783319171470
Encuadernaci�n: Encuadernaci�n de tapa blanda
Estado: new
Peso: 1,64 kilogramos

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Sinopsis

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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