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Supercomputing for Molecular Dynamics Simulations: Handling Multi-Trillion Particles in Nanofluidics by Alexander Heinecke

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

by Alexander Heinecke
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Book cover type: Paperback
  • ISBN13: 9783319171470
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Springer
  • Publisher Imprint: Springer
  • Publication Date:
  • Pages: 76
  • Original Price: EUR 49.99
  • Language: English
  • Edition: 2015
  • Item Weight: 162 grams
  • BISAC Subject(s): Hardware / Cell Phones & Devices, Computer Simulation, and Mechanical

From the Back Cover
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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