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

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Supercomputing for Molecular Dynamics Simulations/ by Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz.
Reminder of title:	Handling Multi-Trillion Particles in Nanofluidics /
Author:	Heinecke, Alexander.
other author:	Eckhardt, Wolfgang.
Description:	X, 76 p. 35 illus., 13 illus. in color.online resource. :
Contained By:	Springer Nature eBook
Subject:	Computer system failures. -
Online resource:	https://doi.org/10.1007/978-3-319-17148-7
ISBN:	9783319171487

Supercomputing for Molecular Dynamics Simulations = Handling Multi-Trillion Particles in Nanofluidics /
Heinecke, Alexander.

Supercomputing for Molecular Dynamics SimulationsHandling Multi-Trillion Particles in Nanofluidics /[electronic resource] :by Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz. - 1st ed. 2015. - X, 76 p. 35 illus., 13 illus. in color.online resource. - SpringerBriefs in Computer Science,2191-5768. - SpringerBriefs in Computer Science,.

Introduction -- Molecular Dynamics Simulation -- Parallelization of MD Algorithms and Load Balancing -- Efficient Implementation of the Force Calculation in MD Simulations -- Experiments -- Conclusion.

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.

ISBN: 9783319171487

Standard No.: 10.1007/978-3-319-17148-7doiSubjects--Topical Terms:

782237
Computer system failures.

LC Class. No.: QA76.9.E94

Dewey Class. No.: 004.24

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