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

Buch 175 von 322: SpringerBriefs in Computer Science

Heinecke, Alexander

 
9783319171470: Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics (SpringerBriefs in Computer Science)

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.

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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.

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9783319171494: Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics

Vorgestellte Ausgabe

ISBN 10:  3319171496 ISBN 13:  9783319171494
Verlag: Springer, 2015
Softcover