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

[Jesper Sørensen]

I heard rumors of a new GMX version months ago, and was told it was nearly ready, but since have not heard anything. So I don't know what the status is.
It is becoming a problem as most of the GPUs supported are discontinued by NVIDIA and so you can't buy them anymore. At least in terms of the Geforce series of cards, not sure about the Tesla's, but those come with a much different price tag.

Best,
Jesper

On Oct 29, 2012, at 10:03 AM, sebastian <sebastian.waltz at physik.uni-freiburg.de> wrote:

> 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,
> 
> Sebastian
> 
> 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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>> 
>