[gmx-users] [gmx-developers] GTX 680 non detected on OS X

Szilárd Páll pall.szilard at gmail.com
Wed May 25 16:30:26 CEST 2016


On Wed, May 25, 2016 at 12:58 PM, Uliano Guerrini <uliano.guerrini at unimi.it>
wrote:

> On OSX 11.5 I instelled cuda 7.5, compiled samples and when I run:
>
> ./deviceQuery Starting...
>
>  CUDA Device Query (Runtime API) version (CUDART static linking)
>
> Detected 1 CUDA Capable device(s)
>
> Device 0: "GeForce GTX 680"
>   CUDA Driver Version / Runtime Version          7.5 / 7.5
>   CUDA Capability Major/Minor version number:    3.0
>   Total amount of global memory:                 4096 MBytes (4294508544
> bytes)
>   ...
>
> and so on, so I presume my CUDA installation is correct driver is ok and
> card is supported. Then I compiled from source using openMP enabled clang
> from macport (the one from apple is useless and gcc isn’t supported anymore
> by NVIDIA on OSX) configuring with:
>
> cmake ../gromacs-5.1.2 -DCMAKE_C_COMPILER=clang
> -DCMAKE_CXX_COMPILER=clang++ -DGMX_GPU=on -DCMAKE_PREFIX_PATH=/opt/local
> -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda
>
> All goes apparently well, apart from:
>
> -- Could not detect NVIDIA GPUs
>
> and:
>
> -- Could NOT find NVML (missing:  NVML_LIBRARY NVML_INCLUDE_DIR)
>
> which I presume I can ignore as on OSX platform NVIDIA doesn’t offer NVML
> and GPU detection is based on that library (I also read on the net of
> people safely ignoring these warnings).
>
> Nevertheless when I run gmx mdrun I get the following message:
>
> NOTE: Error occurred during GPU detection:
>       CUDA driver version is insufficient for CUDA runtime version
>       Can not use GPU acceleration, will fall back to CPU kernels.
>
> My limited abilities (just some printf here and there) led me to find that
> the call to cudaGetDeviceCount on line 602 of the file gpu_utils.cu
> within gromacs/gmxlib/gpu_utils of the untarred 5.1.2 gromacs version fails.
>
> Any suggestions?
>

Your questions are not related to development, please post such questions
to the users' list (CCd, please continue there).

Secondly, this is intriguing, could it be that you are using a newer
runtime form a different path with GROMACS than with the deviceQuery SDK
sample?

BTW, I do think this should work, but to the best of my knowledge Apple has
no official hardware that ships with or can be upgraded to GTX 680, right?

Cheers,
--
Szilárd


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> uliano
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