[gmx-users] no CUDA-capable device is detected

[George Patargias]

Hi Chandan

Are you using the same version of GCC compiler that you used to compile
CUDA 5.0? In my hands, gcc 4.7.2 could not compile CUDA 5.0 (I think there
was some kind of incompatibility between the two).

Can you try compiling both CUDA 5.0 and GROMACS with gcc 4.6.1? This
worked in my system (MacOS/Darwin).

Just make sure to set the variables CC and CXX to point to the right
compiler version when you run cmake.

George


> Dear GMX Users,
>
> I am trying to execute Gromacs 4.6.1 on one of the GPU server:
> *OS*: OpenSuse 12.3 x86_64 3.7.10-1.1-desktop (Kernel Release)
> *gcc*: 4.7.2
>
> CUDA Library paths
> #CUDA-5.0
> export CUDA_HOME=/usr/local/cuda-5.0
> export PATH=$CUDA_HOME/bin:$PATH
> export LD_LIBRARY_PATH=$CUDA_HOME/lib64:/lib:$LD_LIBRARY_PATH
>
> The gromacs has been compiled with
>
> CMAKE_PREFIX_PATH=/opt/apps/fftw-3.3.3/single:/usr/local/cuda-5.0 cmake ..
> -DGMX_GPU=ON -DCMAKE_INSTALL_PREFIX=/opt/apps/gromacs/461/single
> -DGMX_DEFAULT_SUFFIX=OFF -DGMX_BINARY_SUFFIX=_461 -DGMX_LIBS_SUFFIX=_461
> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
>
> *Error on executing mdrun
> *
> *
> *
> *NOTE: Error occurred during GPU detection:
> no CUDA-capable device is detected
> Can not use GPU acceleration, will fall back to CPU kernels.
>
>
> Will use 24 particle-particle and 8 PME only nodes
> This is a guess, check the performance at the end of the log file
> Using 32 MPI threads
>
> No GPUs detected
>
> *I checked my cuda installation. I am able to compile and execute the
> sample programmes e.g., deviceQuery.
>
> Also executed *nvidia-smi *:
> +------------------------------------------------------+
> | NVIDIA-SMI 4.310.40 Driver Version: 310.40 |
> |-------------------------------+----------------------+----------------------+
> | GPU Name | Bus-Id Disp. | Volatile Uncorr. ECC |
> | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M. |
> |===============================+======================+======================|
> | 0 NVS 300 | 0000:03:00.0 N/A | N/A |
> | N/A 49C N/A N/A / N/A | 3% 16MB / 511MB | N/A Default |
> +-------------------------------+----------------------+----------------------+
> | 1 Tesla K20c | 0000:04:00.0 Off | Off |
> | 30% 38C P8 16W / 225W | 0% 13MB / 5119MB | 0% Default |
> +-------------------------------+----------------------+----------------------+
>
> +-----------------------------------------------------------------------------+
> | Compute processes: GPU Memory |
> | GPU PID Process name Usage |
> |=============================================================================|
> | 0 Not Supported |
> +-----------------------------------------------------------------------------+
>
> What am I missing that Gromacs is not detecting the GPUs.
>
> Chandan
>
> --
> Chandan kumar Choudhury
> NCL, Pune
> INDIA
> --
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Dr. George Patargias
Postdoctoral Researcher
Biomedical Research Foundation
Academy of Athens
4, Soranou Ephessiou
115 27
Athens
Greece

Office: +302106597568