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

[Szilárd Páll]

On Wed, May 25, 2016 at 8:20 PM, Uliano Guerrini <uliano.guerrini at unimi.it>
wrote:

>
> > 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.
>

Thanks!


>
> >
> > 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.
>

In that case, I'm not sure what could be the issue. Perhaps a dynamic
library path is missing? You can check with the equivalent of ldd on OS X.
The GROMACS log header should contain runtime and driver versions, what
does your log file show?


>
> >
> > 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.
>

Thanks for the correction, I was not aware of that!

--
Szilárd



>
> uliano
>
> >
> > Cheers,
> > --
> > Szilárd
>
>
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