Download Supercomputing for Molecular Dynamics Simulations

Supercomputing for Molecular Dynamics Simulations by Alexander Heinecke book pdf download, 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.

• Author (s): Alexander Heinecke, Wolfgang Eckhardt Martin Horsch
• Year of publication: 2015
• Publisher: Springer
• Language: English
• ISBN: 331917147X, 9783319171470, 9783319171487
• Number of pages: 83 pages
• Book format: PDF
•  File size: 4 MB

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