Re: CUDA-accelerated NAMD does not support NBFIX parameters

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Sep 13 2009 - 14:49:47 CDT

On Sun, 2009-09-13 at 14:47 -0400, Héctor Urbina wrote:
> Dear All,

dear hector,

[...]

> FATAL ERROR: CUDA-accelerated NAMD does not support NFBIX parameters.
>
> I understand NFBIX actually refers to NBFIX, but I don't understand
> what exactly should CUDA-accelerated NAMD support.

the message is pretty obvious. you are using a feature that is
not supported with CUDA enabled. if you look a little bit closer
at the source code, you can deduce that this refers to explicit
LJ parameters for pair interactions that override the ones that
are generated from mixing rules. you can find them in your parameter
file with the prefix NBFIX. the apoa1 benchmark input contains
parameters that fall under this condition.

> Am I missing something during the build process? or it is an error
> related to my GPU, or to my cuda installed version...?

neither.

> Google search doesn't help, until now.

well, this is more a case of using common sense, don't you think?

cheers,
   axel.

> Thanks for your consideration
>

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com 
Research Associate Professor
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.

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