Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics (SpringerBriefs in Computer Science)

Heinecke, Alexander

ISBN 10: 331917147X / ISBN 13: 9783319171470

Verlag: Springer, 2015

Beschreibung

pp. 76.

Bestandsnummer des Verkäufers 26372815733

Bibliografische Details

• Titel: Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics (SpringerBriefs in Computer Science)
• Verlag: Springer
• Erscheinungsjahr: 2015
• Sprache: Englisch
• ISBN-10: 331917147X
• ISBN-13: 9783319171470
• Einband: Softcover
• Zustand: New

Über diesen Titel

Inhaltsangabe

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.