[gmx-users] Cannot run short-ranged nonbonded interactions on a GPU

[Szilárd Páll]

Hi,

What does the log file detection output contain? You might have linked
against a CUDA release not compatible with your drivers (e.g. too
recent).

Cheers,
--
Szilárd

On Sun, Sep 8, 2019 at 5:17 PM Mahmood Naderan <nt_mahmood at yahoo.com> wrote:
>
> Hi
> With the following config command
> cmake .. -DGMX_GPU=on -DCMAKE_INSTALL_PREFIX=`pwd`/../single -DGMX_BUILD_OWN_FFTW=ON
> I get the following error for "gmx mdrun -nb gpu -v -deffnm inp_nvp"
> Fatal error:
> Cannot run short-ranged nonbonded interactions on a GPU because there is none
> detected.
>
>
>
> deviceQuery command shows that GPU is detected.
> $ ./deviceQuery
> ./deviceQuery Starting...
>
>  CUDA Device Query (Runtime API) version (CUDART static linking)
>
> Detected 1 CUDA Capable device(s)
>
> Device 0: "GeForce GTX 1080 Ti"
> ...
>
>
> With the same input, I haven't seen that error before. Did I miss something?
>
> Regards,
> Mahmood
> --
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