[gmx-developers] Gromacs Question

Mark Abraham mark.j.abraham at gmail.com
Mon Jul 9 17:26:56 CEST 2018


On Mon, Jul 9, 2018 at 5:11 PM Baird, Max Marlon Randolph M <mmb1 at hw.ac.uk>

> Hi,
> I'm a PhD student in Edinburgh studying at Heriot-Watt University.
> My research is in the area of High-Performance computing, specifically
> to do with the resilience of GPUs for long-running applications.
> The GPU technology I focus on is CUDA.
> I found the Gromacs sources on GitHub and I noticed that it has
> support for CUDA.
> And have a few questions:
> 1. Do any of the Gromacs CUDA kernels run for a long time continuously?  (anything
> over 30 minutes)

No. The whole application iterates around or below millisecond time scales,
and individual CUDA kernels tend to be less than that.

2. If not, do you know of any CUDA applications that have long-running
> kernels?

Sorry, I don't.

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