[gmx-developers] Using graphics coprocessors for MD

Lieven Buts lieven at ultr.vub.ac.be
Fri Apr 23 08:48:18 CEST 2004

I recently came across a discussion about the use of the ever more powerful 
graphics processors (GPU's) on modern video boards as general-purpose 
coprocessors. There are at least two projects considering the possibilities:


GPGPU (general purpose GPU):

The latter site presents a number of implemented algorithms, including 2D FFT.

I was just wondering if any of this could be useful in the context of 
molecular dynamics. I would imagine there have to be some opportunities, but 
there are undoubtedly many practical obstacles to really useful applications.

Lieven Buts
Department of Ultrastructure
Vrije Universiteit Brussel

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