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 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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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 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.
54.99 In Stock
Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics

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

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

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

eBook2015 (2015)

$54.99 

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Overview

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.

Product Details

ISBN-13: 9783319171487
Publisher: Springer-Verlag New York, LLC
Publication date: 03/30/2015
Series: SpringerBriefs in Computer Science
Sold by: Barnes & Noble
Format: eBook
Pages: 76
File size: 2 MB

Table of Contents

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

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