Alexander Heinecke,
Wolfgang Eckhardt,
Martin Horsch,
Hans-Joachim Bungartz
e.a.
Supercomputing for Molecular Dynamics Simulations
Handling Multi-Trillion Particles in Nanofluidics
Paperback Engels 2015 9783319171470
Verwachte levertijd ongeveer 9 werkdagen
Samenvatting
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.
Specificaties
ISBN13:9783319171470
Taal:Engels
Bindwijze:paperback
Uitgever:Springer International Publishing
Hoofdrubriek:Automatisering algemeen, Computer en informatica
Lezersrecensies
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Inhoudsopgave
<p>Introduction.- Molecular Dynamics Simulation.- Parallelization of MD Algorithms and Load Balancing.- Efficient Implementation of the Force Calculation in MD Simulations.- Experiments.- Conclusion.</p>
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