Supercomputing for Molecular Dynamics Simulations / Najlacnejšie knihy
Supercomputing for Molecular Dynamics Simulations

Code: 09219451

Supercomputing for Molecular Dynamics Simulations

by Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz

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 ... more

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Book synopsis

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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Book category Books in English Technology, engineering, agriculture Mechanical engineering & materials Materials science

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