[gmx-developers] Building GROMACS 5.1/2016 with OpenCL on NVIDA CUDA 6

[Mark Abraham]

Hi,

Offhand that looks like CUDA 6 doesn't support the OpenCL 1.2 API, but how
such a situation arises I am not sure.

Mark

On Wed, May 11, 2016 at 4:17 PM Vedran Miletić <rivanvx at gmail.com> wrote:

> Hi all,
>
> I am aware this is not a supported configuration. I am using Debian 8 and
> CUDA 6 from Debian repos. When compiling with
>
> $ cmake -DGMX_GPU=ON -DGMX_USE_OPENCL=ON ..
>
> I get
>
> Linking CXX shared library ../../lib/libgromacs.so
> [100%] Built target libgromacs
> Scanning dependencies of target template
> Scanning dependencies of target gmx
> [100%] [100%] [100%] Building CXX object
> src/programs/CMakeFiles/gmx.dir/legacymodules.cpp.o
> Building CXX object src/programs/CMakeFiles/gmx.dir/gmx.cpp.o
> Building CXX object share/template/CMakeFiles/template.dir/template.cpp.o
> Linking CXX executable ../../bin/template
> Linking CXX executable ../../bin/gmx
> ../../lib/libgromacs.so.1.2.0: undefined reference to
> `clEnqueueBarrierWithWaitList'
> ../../lib/libgromacs.so.1.2.0: undefined reference to
> `clEnqueueMarkerWithWaitList'
> ../../lib/libgromacs.so.1.2.0: undefined reference to
> `clEnqueueBarrierWithWaitList'
> ../../lib/libgromacs.so.1.2.0: undefined reference to
> `clEnqueueMarkerWithWaitList'
> collect2: error: ld returned 1 exit status
> collect2: error: ld returned 1 exit status
> share/template/CMakeFiles/template.dir/build.make:95: recipe for target
> 'bin/template' failed
> src/programs/CMakeFiles/gmx.dir/build.make:134: recipe for target
> 'bin/gmx' failed
> make[2]: *** [bin/template] Error 1
> make[2]: *** [bin/gmx] Error 1
> CMakeFiles/Makefile2:3648: recipe for target
> 'src/programs/CMakeFiles/gmx.dir/all' failed
> make[1]: *** [src/programs/CMakeFiles/gmx.dir/all] Error 2
> make[1]: *** Waiting for unfinished jobs....
> CMakeFiles/Makefile2:1723: recipe for target
> 'share/template/CMakeFiles/template.dir/all' failed
> make[1]: *** [share/template/CMakeFiles/template.dir/all] Error 2
> Makefile:147: recipe for target 'all' failed
> make: *** [all] Error 2
>
> Does CUDA 6 not provide the required functionality for GROMACS OpenCL to
> work? CUDA 7.5 works fine.
>
> Regards,
> Vedran
> --
> Vedran Miletić
> http://vedranmileti.ch/
> --
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