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.
- ISBN:
- 9783319171470
- 9783319171470
-
Category:
- 3D graphics & modelling
- Format:
- Paperback
- Publication Date:
-
09-04-2015
- Publisher:
- Springer International Publishing AG
- Country of origin:
- Switzerland
- Pages:
- 76
- Dimensions (mm):
- 235x155x5mm
- Weight:
- 1.63kg
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