[gmx-users] help OpenCL build failure

Jacob Farag faragjacob at gmail.com
Sun May 12 17:05:45 CEST 2019


 Hi I have successfully installed Gromacs version 2018.6 (non-GPU version:
with the following values:
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_C_COMPILER=gcc
-DCMAKE_CXX_COMPILER=g++ -DBUILD_SHARED_LIBS=OFF
-DCMAKE_INSTALL_PREFIX='usr/local/gromacs/2018.6/'

I am not able to generate makefile for the GPU version with following
values:

cmake .. -DGMX_BUILD_OWN_FFTW=ON -DCMAKE_C_COMPILER=gcc
-DCMAKE_CXX_COMPILER=g++ -DGMX_GPU=ON -DGMX_USE_OPENCL=ON

-- Looking for CL_VERSION_2_0

-- Looking for CL_VERSION_2_0 - not found

-- Looking for CL_VERSION_1_2

-- Looking for CL_VERSION_1_2 - not found

-- Looking for CL_VERSION_1_1

-- Looking for CL_VERSION_1_1 - not found

-- Looking for CL_VERSION_1_0

-- Looking for CL_VERSION_1_0 - not found

-- Found OPENCL:
/Library/Developer/CommandLineTools/SDKs/MacOSX10.14.sdk/System/Library/Frameworks/OPENCL.framework

CMake Error at cmake/gmxManageOpenCL.cmake:47 (message):

  OpenCL is not supported.  OpenCL version 1.1 or newer is required.

Call Stack (most recent call first):

  CMakeLists.txt:232 (include)



Please let me know how to configure the GPU version. Thank you


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