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Molecular Dynamics Optimization on Intel® Many Integrated Core Architecture (Intel® MIC)

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Authored by Xiangzheng Sun (Intel) Last updated on 06/07/2017 - 10:44
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GROMACS for Intel® Xeon Phi™ Coprocessor

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Authored by Mikhail Plotnikov (Intel) Last updated on 06/07/2017 - 12:21
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LAMMPS* for Intel® Xeon Phi™ Coprocessor

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This code recipe describes how to get, build, and use the LAMMPS* code for the Intel® Xeon Phi™ coprocessor.

Authored by admin Last updated on 06/07/2017 - 10:25
Article

Optimizing Legacy Molecular Dynamics Software with Directive-based Offload

Directive-based programming models are one solution for exploiting many-core coprocessors to increase simulation rates in molecular dynamics.

Authored by WILLIAM B. (Intel) Last updated on 06/01/2017 - 11:27
Article

Classical Molecular Dynamics Simulations with LAMMPS Optimized for Knights Landing

LAMMPS is an open-source software package that simulates classical molecular dynamics. As it supports many energy models and simulation options, its versatility has made it a popular choice. It was first developed at Sandia National Laboratories to use large-scale parallel computation.
Authored by WILLIAM B. (Intel) Last updated on 01/30/2017 - 12:08
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Optimization of Classical Molecular Dynamics

CoMD is an open-source classical molecular dynamics code. One of its prime application areas is materials modeling.

Authored by Andrey Vladimirov Last updated on 06/14/2017 - 16:42
For more complete information about compiler optimizations, see our Optimization Notice.