E-Book, Englisch, 76 Seiten, eBook
Heinecke / Eckhardt / Horsch Supercomputing for Molecular Dynamics Simulations
1. Auflage 2015
ISBN: 978-3-319-17148-7
Verlag: Springer International Publishing
Format: PDF
Kopierschutz: 1 - PDF Watermark
Handling Multi-Trillion Particles in Nanofluidics
E-Book, Englisch, 76 Seiten, eBook
Reihe: SpringerBriefs in Computer Science
ISBN: 978-3-319-17148-7
Verlag: Springer International Publishing
Format: PDF
Kopierschutz: 1 - PDF Watermark
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.
Zielgruppe
Research
Autoren/Hrsg.
Weitere Infos & Material
Introduction.- Molecular Dynamics Simulation.- Parallelization of MD Algorithms and Load Balancing.- Efficient Implementation of the Force Calculation in MD Simulations.- Experiments.- Conclusion.
