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

[Uliano Guerrini]

> Il giorno 25 mag 2016, alle ore 16:30, Szilárd Páll <pall.szilard at gmail.com> ha scritto:
> 
> On Wed, May 25, 2016 at 12:58 PM, Uliano Guerrini <uliano.guerrini at unimi.it <mailto: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 <http://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).

Sorry for that, I gave an (admittedly fast) glance to user’s list and I found there lots of chemistry question so I subscribed to the wrong list. I’ll continue on the right one.

> 
> 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?

I (believe to) have only one (CUDA?) runtime as I installed it today.

> 
> 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?

Wrong: this is a macpro compatible (EFI firmware) GTX680 (now discontinued, there have been quite a lot out there, still easily found on ebay or similar) on a macpro 5,1 official Apple hardware.

Apple itself didn’sell any GTX board (but sold some Quadro). They were however quite common among Adobe Suite (and  other software) users.

uliano

> 
> Cheers,
> --
> Szilárd