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

sebastian sebastian.waltz at physik.uni-freiburg.de
Mon Oct 29 18:06:41 CET 2012

-------- Original Message --------
Subject: 	Re: [gmx-users] version 4.5.5 GPU with gtx670 and cuda 4.2
Date: 	Mon, 29 Oct 2012 18:03:12 +0100
From: 	sebastian <sebastian.waltz at physik.uni-freiburg.de>
To: 	Jesper Sørensen <jesorensen at ucsd.edu>

Hi Jesper,

thanks for the answer.
It does not matter which card I choose.
I was hopping that forcing the device does work but it does not seem to
be the case.
Probably I have to wait for an update or the 4.6 version.

All the best,


On 10/29/2012 05:50 PM, Jesper Sørensen wrote:
> 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?
> Best,
> Jesper
> 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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