[gmx-users] gromacs 4.6.4 query

[Szilárd Páll]

On Mon, Feb 10, 2014 at 1:27 PM, Chaitali Chandratre
<chaitujoshi at gmail.com> wrote:
> Dear Sir,
>
> I have question w.r.t gromacs-4.6.4 installation with GPU support.
> I have installed non-GPU vesion(for 4.6.4) and it works fine.
>
> But while compiling with gpu (-DGMX_GPU=ON
> -DCUDA_TOOLKIT_ROOT_DIR=/opt/CUDA-5.5)
> It gives compilation error. The node is having gpu card fermi and cuda5.5.
>
> Do I need to set some more things?

Yes, perhaps you could tell us what the error is. :)

--
Szilárd

>
> Thanks.
>
> --
> With Regards,
>    Chaitali
>
> "I know everything happens for a reason...But sometimes I wish I knew what
> the reason was !! "
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