[gmx-users] version 4.5.5 GPU with gtx670 and cuda 4.2

Jesper Sørensen jesorensen at ucsd.edu
Mon Oct 29 17:50:31 CET 2012

Hi Sebastian,

This may just be my take, but the Keppler Cards are not supported yet as far as I understand it.
They are at least not mentioned on the GROMACS GPU page in the Supported Cards section - granted that page has not been updated in quite a while.

Specifically, does this work when you specify using the first card?


On Oct 29, 2012, at 7:03 AM, sebastian <sebastian.waltz at physik.uni-freiburg.de> wrote:

> Hey all together,
> I try to run the 4.5.5 gpu version with the NVIDIA gtx670 cards.
> Using:
> mdrun-gpu -v -s bla.tpr -device
> "OpenMM:platform=Cuda,memtest=15,deviceid=1,force-device=yes"
> (diveceid=1 since I have two cards and want to use the second card).
> I get the following error:
> OpenMM exception caught while initializating: cudaMemcpyToSymbol: SetSim
> copy to cSim failed invalid device symbol
> The installed cuda version is 4.2 and the OpenMM version is 4.1.1
> Since I have no idea whats going wrong any help is very welcomed
> Thanks a lot
> Sebastian 
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