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Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics (Springerbriefs in Computer Science)
Alexander Heinecke; Wolfgang Eckhardt; Martin Horsch (Author)
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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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The book is written in English.
The binding of this edition is Paperback.
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