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

Supercomputing for Molecular Dynamics Simulations

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

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Published: 9 April, 2015
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Description

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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Type Book
ISBN13 9783319171470
ISBN10 331917147X
Number Of Pages 76
Item Weight 1000 g
Publisher / Reseller Springer International Publishing AG
Format paperback
Edition 2015 ed.
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