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

Download Article

Download this article in PDF format

Authored by Xiangzheng Sun (Intel) Last updated on 06/07/2017 - 10:44

GROMACS for Intel® Xeon Phi™ Coprocessor

Authored by Mikhail Plotnikov (Intel) Last updated on 06/07/2017 - 12:21

LAMMPS* for Intel® Xeon Phi™ Coprocessor


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

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

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
Blog post

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