[gmx-users] Can't engage OpenCL (No rule to make target /usr/lib/libOpenCL.so)

[Mark Abraham]

Hi,

If you use -DOpenCL_LIBRARY then it has to indicate the location of
libOpenCL.so because you've short-circuited any attempt to find the
library. Check out the advice at
http://manual.gromacs.org/documentation/2019/install-guide/index.html#opencl-gpu-acceleration.
If you've installed system packages for e.lg. amdgpu-pro then you probably
have no need of handling -DOpenCL_*, and particularly not to set them to
values that are in paths that are searched by default. Give an instruction
when you absolutely know what the instruction needs to be, otherwise let
the automation do its job.

Mark

On Wed, 18 Dec 2019 at 09:28, SkyTo <skytolya at ya.ru> wrote:

>
>
> -------- Пересылаемое сообщение --------
> 18.12.2019, 22:06, "SkyTo" <skytolya at ya.ru>:
>
> Hello!
>
> I can't install Gromacs with OpenCL support. I use Ubuntu 18.04.3 and
> Radeon RX550. Commands
>
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_GPU=on -DGMX_USE_OPENCL=on
> -DOpenCL_LIBRARY=/usr/lib/libOpenCL.so.1.0.0
> -DOpenCL_INCLUDE_DIR=/usr/include/CL
> make
>
> lead to
>
> [100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mimic/MimicCommunicator.cpp.o
> [100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/mimic/MimicUtils.cpp.o
> [100%] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/utility/baseversion-gen.cpp.o
> make[2]: *** No rule to make target «/usr/lib/libOpenCL.so», required for «lib/libgromacs.so.4.0.0».Stop.
> CMakeFiles/Makefile2:2768: recipe for target 'src/gromacs/CMakeFiles/libgromacs.dir/all' failed
> make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
> Makefile:162: recipe for target 'all' failed
> make: *** [all] Error 2
>
> What have i tried:
> installed opencl-headers and ocl-icd-libopencl1
> installed amdgpu-pro (as in manual)
> installed fglrx (as in manual)
>
> May there be something else?
>
> -------- Конец пересылаемого сообщения --------
>
>
> -</\-
>
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