Supercomputing for Molecular Dynamics Simulations : Handling Multi-Trillion Particles in Nanofluidics PDF
by Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz
Part of the SpringerBriefs in Computer Science series
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Description
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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- Format:PDF
- Publisher:Springer International Publishing
- Publication Date:30/03/2015
- Category:
- ISBN:9783319171487
Information
-
Download Now
- Format:PDF
- Publisher:Springer International Publishing
- Publication Date:30/03/2015
- Category:
- ISBN:9783319171487
