May 2016
Intermediate to advanced
662 pages
20h 17m
English
book
Intel Xeon Phi Processor High Performance Programming, 2nd Edition
by James Jeffers, James Reinders, Avinash Sodani
Content preview from Intel Xeon Phi Processor High Performance Programming, 2nd Edition
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Chapter 20
Optimizing classical molecular dynamics in LAMMPS
Abstract
LAMMPS results on Knights Landing are discussed. Significant performance improvements on Intel Xeon processors and Knights Landing many-core processors are discussed. The simulations on single-socket Knights Landing processors were up to 1.96 × faster than dual socket Intel Xeon processors in configurations with a significantly lower processor TDP.
Keywords
Molecular dynamics; LAMMPS; SoA; AoS; MCDRAM; Numactl; AVX-512; Xeon Phi; Many-core; Knights Landing; AVX-512CD; Conflict detection instructions; Intrinsics; AVX-512 intrinsics; AVX-512CD intrinsics
Acknowledgment
Sandia is a multipurpose laboratory operated by Sandia Corporation, a Lockheed-Martin Co., for the US Department ...
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