Supercomputing for Molecular Dynamics Simulations
Handling Multi-Trillion Particles in Nanofluidics
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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Produktdetails
Weitere Autoren: Bungartz, Hans-Joachim / Horsch, Martin / Heinecke, Alexander
- ISBN: 978-3-319-17148-7
- EAN: 9783319171487
- Produktnummer: 18256791
- Verlag: Springer
- Sprache: Englisch
- Erscheinungsjahr: 2015
- Plattform: PDF
- Masse: 5'582 KB
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