Der Artikel ist weiterhin als ^^OTHERCONDITION^^ verfügbar.
Autor: Alexander Heinecke
ISBN-13: 9783319171470
Einband: Taschenbuch
Seiten: 76
Gewicht: 202 g
Format: 237x158x4 mm
Sprache: Englisch

Supercomputing for Molecular Dynamics Simulations

SpringerBriefs in Computer Science
Handling Multi-Trillion Particles in Nanofluidics
99
Introduction
Molecular Dynamics Simulation

Parallelization of MD Algorithms and Load Balancing

Efficient Implementation of the Force Calculation in MD Simulations

Experiments

Conclusion
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.
Autor: Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz
Dr. Hans-Joachim Bungartz ist Referent des Bayerischen Forschungsverbunds für technisch-wissenschaftliches Hochleistungsrechnen (FORTWIHR).
Autor: Alexander Heinecke
ISBN-13:: 9783319171470
ISBN: 331917147X
Verlag: Springer, Berlin, Springer International Publishing, Springer
Gewicht: 202g
Seiten: 76
Sprache: Englisch
Auflage 2015
Sonstiges: Taschenbuch, 237x158x4 mm, 22 SW-Abb., 13 Farbabb., 2 Tabellen