[gmx-users] 5.1.2 doesn't support GTX1080?

[Mark Abraham]

Hi,

On Tue, Jul 19, 2016 at 8:34 AM Albert <mailmd2011 at gmail.com> wrote:

> Hello Mark,
>
> Thanks a lot for the suggestions.
>
> I downloaded the latest driver from Nvidia website and reinstall it
> again in my Linux OS. However, when I run command line:
>
>  >nvidia-smi
>
> it failed with messages:
>
> Failed to initialize NVML: Insufficient Permissions
>
> it can only be executed by root user.....
>

Yeah. You'll do better complaining to NVIDIA about how their tools work ;-)
See
http://manual.gromacs.org/documentation/5.1.2/install-guide/index.html#native-cuda-gpu-acceleration



>
> Meanwhile, I also noticed that my GPU for Gromacs job can only be evoked
> by root user. Otherwise, Gromacs can only be performed by pure CPU.
>
> Do you have any other suggestion?


That tends to mean you've installed something as root and not given
permission for normal users to use it. However following normal
installation instructions precisely will tend to mean such problems don't
arise.

Mark