Implementing Molecular Dynamics on Hybrid High Performance Computers

An author calling himself Morgoth Bauglir has posted a paper on using LAMMPS molecular dynamics software for distributed memory parallel hybrid machines.

The use of accelerators such as graphics processing units (GPUs) has become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybrid high-performance computers, machines with nodes containing more than one type of floating-point processor (e.g. CPU and GPU), are now becoming more prevalent due to these advantages. In this paper, we present a continuation of previous work implementing algorithms for using accelerators into the LAMMPS molecular dynamics software for distributed memory parallel hybrid machines.

Read the Full Story.

For the record, Morgoth is a fictional character who, as Sauron’s supreme commander, was the source of all evil in J. R. R. Tolkien’s Middle-earth.


 

Like what you're reading? Come back every day for HPC news, or subscribe to email or RSS updates. Trackback URL: http://insidehpc.com/2012/01/09/implementing-molecular-dynamics-on-hybrid-high-performance-computers/trackback/

Comments

  • GPU Science Jan 9

    Thanks, Rich!

    Funny… who would expected that nickname of our new member will made to HPC news headline!

  • RichB Jan 9

    That is a pretty badass name!

Trackbacks

Leave your own comment

Advertisement

Penguin Computing Ad

insideHPC.com is a production of insideHPC, LLC. © 2006-2013 Sitemap