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

From: Pablo Ródenas <>
Date: Wed, 13 Aug 2014 15:31:58 +0200

Dear Jason,

here you have the link with the input files:

If you need any other information, do not hesitate to ask for it.

Many thanks for your help and your time.

Best regards,

On 08/13/2014 01:56 PM, Jason Swails wrote:
> On Wed, 2014-08-13 at 13:11 +0200, Pablo Ródenas wrote:
>> Hi again,
>> after reinstalling Amber14 with mvapich2/2.0 the tests results are the
>> following:
>> CUDA --> 90 passed, 35 failures, 0 errors
>> CUDA_PARALLEL (do_parallel = 2) --> 52 passed, 35 failures, 0 errors.
>> But the error kPMEFillChargeGridBuffer still appears after 10~20 seconds
>> of execution with either pmemd.cuda and pmemd.cuda.MPI
> Can you put the files somewhere where we can download them? I don't see
> us being able to help any further unless we can reproduce the problem.
> (Put them on dropbox or something, I doubt they're small enough to
> attach to an email to the list).
> Thanks,
> Jason

Pablo Ródenas Barquero (
BSC - Centro Nacional de Supercomputación
C/ Jordi Girona, 31    WWW:
08034 Barcelona, Spain Tel: +34-93-405 42 29
e-mail: Fax: +34-93-413 77 21
CNAG - Centre Nacional Anàlisi Genòmica
C/ Baldiri Reixac, 4   WWW:
08028 Barcelona, Spain Tel: +34-93-403 37 54
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Received on Wed Aug 13 2014 - 07:00:02 PDT
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