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

Alexander Heinecke (u. a.)

ISBN 10: 331917147X / ISBN 13: 9783319171470

Published by Springer International Publishing, 2015

About this Item

Supercomputing for Molecular Dynamics Simulations | Handling Multi-Trillion Particles in Nanofluidics | Alexander Heinecke (u. a.) | Taschenbuch | x | Englisch | 2015 | Springer International Publishing | EAN 9783319171470 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Seller Inventory # 104871754

Bibliographic Details

• Title: Supercomputing for Molecular Dynamics Simulations | Handling Multi-Trillion Particles in Nanofluidics
• Publisher: Springer International Publishing
• Publication Date: 2015
• Language: English
• ISBN 10: 331917147X
• ISBN 13: 9783319171470
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 235W x 155H x 5D millimeters 235 millimeters width by 155 millimeters height by 5 millimeters depth
• Weight: 165 grams
• Seller catalogs:
  • Bücher

About this title

Synopsis

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.