[gmx-users] Re: GPU version of Gromacs

Mark Abraham mark.j.abraham at gmail.com
Tue Aug 27 18:33:18 CEST 2013

No, that is not implemented. Roughly speaking, the CPU does the
PME+bondeds while the GPU does the short-ranged interactions. Moving
PME would only be worthwhile if there was a very weak CPU and it was
cheap to do any necessary communication between GPUs. That day is not
yet here :-)


On Tue, Aug 27, 2013 at 4:17 PM, grita <cemilyigit at arcor.de> wrote:
> Hi,
> Is it possible to calc the PME on the CUDA card?
> If it is possible, how can one do it?
> Best,
> grita
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