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Supercomputing for Molecular Dynamics Simulations

Name: Supercomputing for Molecular Dynamics Simulations
Brand: Springer International Publishing AG
SKU: 09219451
Price: 19902 HUF
Availability: InStock
Author: Alexander Heinecke
ISBN: 9783319171470

Handling Multi-Trillion Particles in Nanofluidics

Alexander Heinecke

Wolfgang Eckhardt

Martin Horsch

Hans-Joachim Bungartz

Language

English

Book Paperback

Libristo code: 09219451

Publishers Springer International Publishing AG, March 2015

This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn... Full description

Libristo code: 09219451

136 b

19 902 Ft

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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.