Re: [AMBER] Recompile amber12 whit cuda 6.0

From: Ross Walker <ross.rosswalker.co.uk>
Date: Mon, 12 May 2014 12:17:24 -0700

Hi Hector,

I would suggest sticking with CUDA 5.0 since it gives better performance.
There are no real benefits with AMBER to using cuda 5.5 or 6.0. In terms
of support AMBER 14 supports CUDA 6.0. AMBER 12 does not, you could
comment out the check in $AMBERHOME/AmberTools/configure2 and see if you
can get things to work with AMBER 12 but last time I tried there were some
namespace clashes and trouble compiling the RADIX sort code but that was
with the release candidate of CUDA 6.0 rather than the release version so
it might work.

All the best
Ross


On 5/12/14, 12:00 PM, "Hector A. Baldoni" <hbaldoni.unsl.edu.ar> wrote:

>
>Dear amber users,
>
>How can I circumvent the following error message when I try to recompile
>amber12 with cuda 6.0 ?
>
>Error: Unsupported CUDA version 6.0 detected.
>AMBER requires CUDA version == 4.2 .or. 5.0 .or. 5.5
>Configure failed due to the errors above!
>
>All suggestions are welcome!
>Regards,
>Hector.
>
>
>--------------------------------------
> Dr. Hector A. Baldoni
> Area de Quimica General e Inorganica
> Universidad Nacional de San Luis
> Chacabuco 917 (D5700BWS)
> San Luis - Argentina
> hbaldoni at unsl dot edu dot ar
> Tel.:+54-(0)266-4520300 ext. 6157
>--------------------------------------
>
>
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Received on Mon May 12 2014 - 12:30:11 PDT
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