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Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics. 2015 ed.
・ISBN 978-3-319-17147-0 paper EUR 49.99
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| 著者・編者 | Heinecke, Alexander / Eckhardt, Wolfgang / Horsch, Martin / Bungartz, Hans-Joachim, |
|---|---|
| シリーズ | (SpringerBriefs in Computer Science) |
| 出版社 | (Springer International Publishing AG, SZ) |
| 出版年月 | 2015 |
| ページ数 | 76 pp. |
| 言語 | ENG |
| ニュース番号 | ＜A05-24962＞ |
解説
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.