Re: [AMBER] amber12 (pmemd.cuda) on GeForce GTX 580 ?

From: Ross Walker <>
Date: Fri, 19 Oct 2012 11:09:32 -0700

Hi Tomasz,

My gut instinct is to agree with Aron here and say this is likely a broken
card, most likely the memory. However, it would be useful to know what you
mean by half the tests fail. How do they fail exactly and what error
messages do you get. Do you have the log files, especially the diff log
from running the tests?

nvidia-smi -a

should show the card. I would try reinstalling the NVIDIA driver first
though and then powering off the machine and starting it up again. You
might want to also take a look inside and make sure nothing is stopping
the GPU fan spinning as well, I've had issues like that before with an
internal USB cable that wasn't secured being ingested by the GPU fan.

Try a reinstall of the drivers first and a cold power down / restart and
see if that helps. Run 'nvidia-smi' as root to get the driver loaded once
the machine comes back up. If the problem still persists then suspect the

All the best

On 10/19/12 1:13 AM, "Tomasz Borowski" <> wrote:

>Dear Amber users,
>I have a problem with getting pmemd.cuda working on GeForce GTX 580
>With all the patches currently available applied to the code it compiles
>with no problems (gnu compiler, open suse 11.2, no MKL libs). During tests
>roughly half of the tests fail. However, the same binary code runs with no
>problems on
>another machine where I have GeForce GTX 285. The same driver and CUDA
>toolkit installed
>on the two machines. Does it mean the GTX 580 is faulty ?
>Maybe it could be of relevance, on the machine with GTX 580 I cannot get
>the info on the graphics card with the usual command:
>lspci | grep VGA
>could you, please, help ?
>all the best,
>Tomasz Borowski
>AMBER mailing list

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Received on Fri Oct 19 2012 - 11:30:02 PDT
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