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portada Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics (Springerbriefs in Computer Science)
Type
Physical Book
Publisher
Year
2015
Language
English
Pages
88
Format
Paperback
ISBN13
9783319171470
Edition No.
2015

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

Alexander Heinecke; Wolfgang Eckhardt; Martin Horsch (Author) · Springer · Paperback

Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics (Springerbriefs in Computer Science) - Alexander Heinecke; Wolfgang Eckhardt; Martin Horsch

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

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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