[gmx-users] GPU gromacs

Szilárd Páll pall.szilard at gmail.com
Mon Jul 6 20:10:08 CEST 2015

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.


On Sat, Jul 4, 2015 at 1:40 PM, James Lord <jjamesgreen110 at gmail.com> 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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