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

[Vedran Miletić]

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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