[gmx-users] GPU gromacs

[James Lord]

Thanks Slizard. I need to get this simulation done in a week but does not
have the right facilities. Is there anyone in the group with some high end
GPU cards that can help me get this running.
Cheers
James

On Tuesday, July 7, 2015, Szilárd Páll <pall.szilard at gmail.com> wrote:

> Of course you can, but with such a low-end mobile GPU you may not even gain
> performance from offloading computation from the CPU and additionally you
> may have issues with cooling too.
>
> You can simply try comparing performance with "-nb cpu" and "-nb gpu" to
> see if using the GPU improves performance at all.
>
> --
> Szilárd
>
> On Sat, Jul 4, 2015 at 1:40 PM, James Lord <jjamesgreen110 at gmail.com
> <javascript:;>> wrote:
>
> > Hi All,
> > I have a system with 300k atoms, I don't have access to HPC facilities,
> Is
> > it possible to run gromcas on GPU on a desktop with following graphic
> card
> > for up to 200-300 ns?
> >
> > 00:02.0 VGA compatible controller: Intel Corporation 3rd Gen Core
> processor
> > Graphics Controller (rev 09)
> > 01:00.0 VGA compatible controller: NVIDIA Corporation GF108M [GeForce GT
> > 635M] (rev a1)
> >
> > any thoughts is greatly appreciated.
> > Cheers
> > James
> > --
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