Have AMD GPU "TongaGL" with latest Driver & SDK installed. But still unable to build with OpenCL support Enabled. Please help.

[streamhsa]

Hi, Here is what I get when I try to run:

cmake .. -DGMX_GPU=ON -DGMX_USE_OPENCL=ON -DCMAKE_BUILD_TYPE=Release -- Detecting OpenCL capability -- OpenCL: Searching in system location CMake Error at /usr/share/cmake-2.8/Modules/FindPackageHandleStandardArgs.cmake:108 (message): Could NOT find OpenCL (missing: OPENCL_INCLUDE_DIR) Call Stack (most recent call first): /usr/share/cmake-2.8/Modules/FindPackageHandleStandardArgs.cmake:315 (_FPHSA_FAILURE_MESSAGE) cmake/FindOpenCL.cmake:208 (FIND_PACKAGE_HANDLE_STANDARD_ARGS) cmake/gmxManageOpenCL.cmake:43 (find_package) CMakeLists.txt:182 (include)

-- Configuring incomplete, errors occurred! See also "/root/Desktop/Gromacs/gromacs/Build-OCL/CMakeFiles/CMakeOutput.log".

\Thanks.

[ancahamuraru]

Hi,

I apologize for the late answer.

First of all, is OpenCL correctly installed on your machine? Do you get any device listed if you run clinfo from the command line?

If so, then there is a problem with GROMACS detecting OpenCL. Please try with the latest version of GROMACS available here: http://www.gromacs.org/ With the latest version, configuring a build for OpenCL is much easier: http://manual.gromacs.org/documentation/5.1/install-guide/index.html#opencl-gpu-acceleration

Please keep us posted. Thanks, Anca.

[streamhsa]

Hi Anca,

Thanks for reply. Yes, OpenCL is installed correctly. And as suggested, I'll try the latest version and let you know if that helps.

\Thanks

[dkarkoulis]

If what Anca suggested does not work, can you please provide the path to OpenCL headers? It could be that they are not installed, or they are in an unexpected location.

Try this: locate opencl.h and/or: find / -name opencl.h