[gmx-users] GPU not found

[Albert]

Hello:

thx for reply.

it is very strange, I cannot run this command as normal user:

Failed to initialize NVML: Insufficient Permissions

here is the output I use sudo to run the command you mentioned:

+------------------------------------------------------+

| NVIDIA-SMI 331.67     Driver Version: 331.67
|
|-------------------------------+----------------------+----------------------+
| 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 780 Ti  Off  | 0000:01:00.0     N/A |
N/A |
| 38%   42C  N/A     N/A /  N/A |     10MiB /  3071MiB |     N/A
Default |
+-------------------------------+----------------------+----------------------+
|   1  GeForce GTX 780 Ti  Off  | 0000:02:00.0     N/A |
N/A |
|  0%   34C  N/A     N/A /  N/A |     10MiB /  3071MiB |     N/A
Default |
+-------------------------------+----------------------+----------------------+


+-----------------------------------------------------------------------------+
| Compute processes:                                               GPU
Memory |
|  GPU       PID  Process name
Usage      |
|=============================================================================|
|    0            Not
Supported                                               |
|    1            Not
Supported                                               |
+-----------------------------------------------------------------------------+



2014-05-13 11:54 GMT+02:00 Mirco Wahab <mirco.wahab at chemie.tu-freiberg.de>:

> On 13.05.2014 11:18, Albert wrote:
>
>> I compiled Gromacs in a GPU machine with two GTX780Ti with following
>> command:
>>
>> env CC=icc F77=ifort CXX=icpc
>> CMAKE_PREFIX_PATH=/soft/intel/mkl/include/fftw:/soft/intel/impi/
>> 4.1.3.049/intel64:/soft/intel/mkl/lib/intel64 cmake ..
>> -DBUILD_SHARED_LIB=OFF -DBUILD_TESTING=OFF
>> -DCMAKE_INSTALL_PREFIX=/soft/gromacs-5.0rc1 -DGMX_MPI=ON -DGMX_GPU=ON
>> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
>>
>> however, when I try to run some jobs, it failed with messages:
>>
>>
>> NOTE: Error occurred during GPU detection:
>>        no CUDA-capable device is detected
>>        Can not use GPU acceleration, will fall back to CPU kernels.
>>
>>  What does
>
> $> nvidia-smi
>
> on this machine print out?
> see: http://manpages.ubuntu.com/manpages/natty/man1/alt-
> nvidia-current-smi.1.html
>
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