[gmx-users] Re: GPU version of Gromacs

[Justin Lemkul]

On 8/20/13 5:52 AM, grita wrote:
> Dear Dwey & Justin,
>
> I've not tried it yet and I've asked because in the 4.5.x GPU version of
> Gromacs not all features were supported.
>
> In my simulations I'm using the SD integrator and the Pull-Code.
>
> Since both are supported in the current GPU version, I will try it on a
> computer with a CUDA graphic card.
>

Versions in the 4.5.x series only support GPU acceleration via OpenMM and thus 
most Gromacs features are not supported.  Native GPU support in 4.6 is much more 
comprehensive.

-Justin

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Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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jalemkul at outerbanks.umaryland.edu | (410) 706-7441

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