Supercomputing for molecular dynamics simulations [electronic resource] : handling multi-trillion particles in nanofluidics / Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz.
Heinecke, Alexander, author.; Eckhardt, Wolfgang, author.; Horsch, Martin, author.; Bungartz, H.-J. (Hans-Joachim), author.
2015
QP517.M65 H45 2015eb
Available Online

Linked e-resources

Linked Resource Online Access
Concurrent users Unlimited
Authorized users Authorized users
Document Delivery Supplied Can lend chapters, not whole ebooks

Details

Title Supercomputing for molecular dynamics simulations [electronic resource] : handling multi-trillion particles in nanofluidics / Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz.
Author Heinecke, Alexander, author.
ISBN 9783319171487 electronic book
3319171488 electronic book
9783319171470
DOI https://doi.org/10.1007/978-3-319-17148-7
Published Cham, Switzerland : Springer, [2015]
Language English
Description 1 online resource.
Other Standard Identifiers 10.1007/978-3-319-17148-7 doi
Call Number QP517.M65 H45 2015eb
Dewey Decimal Classification 572.33
Summary 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.
Bibliography, etc. Note Includes bibliographical references.
Access Note Access limited to authorized users.
Added Author Eckhardt, Wolfgang, author.
Horsch, Martin, author.
Bungartz, H.-J. (Hans-Joachim), author.
Series SpringerBriefs in computer science.
Available in Other Form Print version: 9783319171470
Linked Resources Online Access
Record Appears in Online Resources > Ebooks
All Resources
Introduction
Molecular Dynamics Simulation
Parallelization of MD Algorithms and Load Balancing
Efficient Implementation of the Force Calculation in MD Simulations
Experiments
Conclusion.

Browse Subjects

Show more subjects...

Statistics

from
to
Export