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

[Mark Abraham]

Hi,

The hardware is backwards-compatible, so GROMACS works fine. I imagine you
might need updated drivers to actually let GROMACS+CUDA talk to the
hardware, e.g. 367.35 is out. You should also try to run e.g. the CUDA
sample programs to verify things are working before you try to get
third-party software like GROMACS working.

Mark

On Mon, Jul 18, 2016 at 4:22 PM Albert <mailmd2011 at gmail.com> wrote:

> Hello:
>
> I've installed cuda-8.0 in my Linux OS. Then I compiled Gromacs-5.1.2
> with GPU support without any errors. However, when I submit Gromacs job,
> it always failed with messages:
>
>
> NOTE: Error occurred during GPU detection:
>        unknown error
>        Can not use GPU acceleration, will fall back to CPU kernels.
> Running on 1 node with total 10 cores, 20 logical cores, 0 compatible GPUs
> Hardware detected on host cudaB (the node of MPI rank 0):
>    CPU info:
>      Vendor: GenuineIntel
>      Brand:  Intel(R) Xeon(R) CPU E5-2690 v2 @ 3.00GHz
>      SIMD instructions most likely to fit this hardware: AVX_256
>      SIMD instructions selected at GROMACS compile time: AVX_256
>
>
> I could run nvidia-smi without any problem:
>
>
> +-----------------------------------------------------------------------------+
> | NVIDIA-SMI 367.27                 Driver Version:
> 367.27                    |
>
> |-------------------------------+----------------------+----------------------+
> | GPU  Name        Persistence-M| Bus-Id        Disp.A | Volatile
> Uncorr. ECC |
> | Fan  Temp  Perf  Pwr:Usage/Cap|         Memory-Usage | GPU-Util
> Compute M. |
>
> |===============================+======================+======================|
> |   0  GeForce GTX 1080    Off  | 0000:01:00.0      On
> |                  N/A |
> | 27%   39C    P8     6W / 180W |     68MiB /  8106MiB | 1%      Default |
>
> +-------------------------------+----------------------+----------------------+
>
>
> +-----------------------------------------------------------------------------+
> | Processes: GPU Memory |
> |  GPU       PID  Type  Process name Usage      |
>
> |=============================================================================|
> |    0      2131    G /usr/bin/X
> 29MiB |
> |    0      2156    G /usr/bin/sddm-greeter
> 36MiB |
>
> +-----------------------------------------------------------------------------+
>
>
> Does anybody have any suggestions?
>
> Thanks a lot
>
> Albert
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