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

[Albert]

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