Supercomputing for Molecular Dynamics Simulations (Paperback)

Alexander Heinecke

ISBN 10: 331917147X / ISBN 13: 9783319171470

Published by Springer International Publishing AG, Cham, 2015

About this Item

Paperback. 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. 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. Shipping may be from multiple locations in the US or from the UK, depending on stock availability.

Seller Inventory # 9783319171470

Bibliographic Details

• Title: Supercomputing for Molecular Dynamics Simulations (Paperback)
• Publisher: Springer International Publishing AG, Cham
• Publication Date: 2015
• Language: English
• ISBN 10: 331917147X
• ISBN 13: 9783319171470
• Binding: Paperback
• Condition: new

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.