[gmx-users] does gmx2016.3 support Nvidia 1080Ti?

Mark Abraham mark.j.abraham at gmail.com
Sun Apr 2 19:01:24 CEST 2017


Yes, it's supported - both NVIDIA and GROMACS aim at backward
compatibility, such that new hardware will run old code. And the 10xx
series is not old with respect to the 2016 GROMACS series, either. Your
problem likely lies with coordinating driver and/or CUDA versions
appropriately, e.g. your nvidia-smi is using a driver from a different CUDA
version than is linked with GROMACS.


On Sun, Apr 2, 2017 at 6:02 PM 维维 <tzweir at qq.com> wrote:

> Hi, gromacs users
>   I have installed a CUDA version  of Gromacs 2016.3 with the newst Nvidia
> 1080Ti graphic card. The  installation goes well and I see GPU support CUDA
> in version info of  Gromacs. However, I see a NOTE saying "Error occurred
> during GPU  detection: no CUDA-capable device is detected. Can not use GPU
> acceleration, will fall back to CPU kernels."
>    I am quite sure that card is set on my machine, which can be firmed by
> /dev/nvidia0. Also I can see the card stat with command "nvidia-smi".
>    So I am really comfused of the problem. Why gromacs can not recognize
> 1080Ti graphic card. Thank you for your generous help in advance!
> --
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