Re: [AMBER] Error: invalid configuration argument launching kernel kPMEFillChargeGridBuffer

From: Pablo Ródenas <>
Date: Fri, 12 Sep 2014 13:24:05 +0200

Dear Jason,

I passed correctly a Tesla Validation Suite version 01 which I found on
Internet (date October, 2010), if you could provide me a newer version I
can test it.

The machine used for the Amber compilation and the tests has 2 Nvidia
Tesla M2090 with 6GB of memory each, the Driver Version 331.62 and
nVidia toolkit 5.0. The problem appears few seconds after executing and
we could not get a successful execution.

You could run our inputs over newer Kepler cards. Could our problem
arise because we are using an old card?


On 09/04/2014 03:48 PM, Jason Swails wrote:
> On Thu, Sep 4, 2014 at 2:17 AM, Pablo Ródenas <> wrote:
>> Good morning,
>> could you reproduce the problem with the files provided?
>> ​
> O
> ​n my computer (GTX 680, 2 GB of memory), I get a memory allocation error
> because 2 GB is not enough for your system (ca. 700K+ atoms). When I move
> to a K20c (4 GB of memory), it runs fine for over 10 minutes (after which I
> killed it because your input files would have run for 10 hours on the
> K20c). That machine has the nVidia toolkit version 5.0 and the 331.38
> drivers on it.
> I'm not sure why you're having problems... Have you tried running the GPU
> validation suite? I know Ross Walker posted a link to it on a previous
> post, but I can't seem to locate it right now...
> HTH,
> Jason

Pablo Ródenas Barquero (
BSC - Centro Nacional de Supercomputación
C/ Jordi Girona, 31    WWW:
08034 Barcelona, Spain Tel: +34-93-405 42 29
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CNAG - Centre Nacional Anàlisi Genòmica
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08028 Barcelona, Spain Tel: +34-93-403 37 54
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Received on Fri Sep 12 2014 - 04:30:03 PDT
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