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.
Epub (Kobo), Epub (Adobe)
Publication Date: 29/12/2015
- ISBN:
- 9783319171487
- 9783319171487
- Category:
- Systems analysis & design
- Format:
- Epub (Kobo), Epub (Adobe)
- Publication Date:
- 29-12-2015
- Language:
- English
- Publisher:
- Springer International Publishing
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