[gmx-users] GPU not found

[Mirco Wahab]

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