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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.

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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.

Comments

  1. Thanks, Rich!

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

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