[AMBER] Error: invalid configuration argument launching kernel kPMEFillChargeGridBuffer

From: Pablo Ródenas <pablo.rodenas.bsc.es>
Date: Mon, 28 Jul 2014 15:04:14 +0200

Good afternoon,

Ruben Perez (with Amber license Q2818013A) and us (as user support team)
are trying to execute pmemd.CUDA of Amber14 in our cluster and we got
always the error of the subject with an input that works fine with the
GPU version of pmemd in Amber12 and with the CPU version of pmemd in

Our version of Amber14 has been firstly updated and then compiled with
different options, for example, our latest tests were using
OpenMPI/1.7.3, gcc/4.6.1 and CUDA/5.0 but we had the same error with
bullxmpi/ + intel compilers 14.0.1 and/or CUDA6. The tests were
performed in 1 node with 1 and/or 2 GPUs with the same result.

The node specs are 12 CPUs (Intel(R) Xeon(R) CPU E5649 . 2.53GHz) and 2
GPUs (Tesla M2090), Driver Version 304.54. We have also tested with
driver version 331.62 with no luck.

Please, do not hesitate to ask us for more information and thank you
very much in advance for your help.

Best regards,

Pablo Ródenas Barquero (pablo.rodenas.bsc.es)
BSC - Centro Nacional de Supercomputación
C/ Jordi Girona, 31    WWW:http://www.bsc.es
08034 Barcelona, Spain Tel: +34-93-405 42 29
e-mail:support.bsc.es  Fax: +34-93-413 77 21
CNAG - Centre Nacional Anàlisi Genòmica
C/ Baldiri Reixac, 4   WWW:http://www.cnag.cat
08028 Barcelona, Spain Tel: +34-93-403 37 54
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Received on Mon Jul 28 2014 - 06:30:03 PDT
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