# Gromacs-2020.3 with OpenCL **URL:** \ **Category:** User discussions\ **Created:** [July 25, 2020, 3:22am UTC](https://gromacs.bioexcel.eu/t/gromacs-2020-3-with-opencl/568 "2020-07-25T03:22:57Z")\ **Posts on this page:** 4\ **Page:** 1
**Author:** ![moto](https://avatars.discourse-cdn.com/v4/letter/m/2bfe46/32.png) [@moto](https://gromacs.bioexcel.eu/u/moto)\ **Post date:** [July 25, 2020, 3:22am UTC](https://gromacs.bioexcel.eu/t/gromacs-2020-3-with-opencl/568/1 "2020-07-25T03:22:57Z")
Dear All, Does anyone know how to install gromacs-2020.3 with OpenCL GPU? I tried to install it by cmake, but it did not work. My CPU is Intel Core i5-8265U 1.6 GHz. My GPU is Intel UHD Grapics 620. My operating system is Ubuntu 18.04. Without OpenCL GPU, installation had been done without any trouble. Sincerely, Moto ---
**Author:** ![rschulz](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/rschulz/32/30_2.png) [@rschulz](https://gromacs.bioexcel.eu/u/rschulz)\ **Post date:** [July 25, 2020, 3:00pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2020-3-with-opencl/568/2 "2020-07-25T15:00:32Z")
Documented here [http://manual.gromacs.org/current/install-guide/index.html#opencl-gpu-acceleration](http://manual.gromacs.org/current/install-guide/index.html#opencl-gpu-acceleration). If you still have a problem, say exactly what the problem is with full error message and such. ---
**Author:** ![moto](https://avatars.discourse-cdn.com/v4/letter/m/2bfe46/32.png) [@moto](https://gromacs.bioexcel.eu/u/moto)\ **Post date:** [July 28, 2020, 7:18pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2020-3-with-opencl/568/3 "2020-07-28T19:18:19Z")
Dear Mr. Schulz, I appreciate your quick response. I am not familiar with computer language. I downloaded header and library files ([https://github.com/KhronosGroup/OpenCL-ICD-Loader](https://github.com/KhronosGroup/OpenCL-ICD-Loader)). Then I placed header files under /usr/local/CL, and a libray file as /home/moto/OpenCL-ICD-Loader/build/test/driver\_stub/libOpenCLDriverStub.so. Then I executed cmake under /home/moto/gromacs-2020.3/build as follows: cmake … -DOpenCL\_INCLUDE\_DIR=/usr/local -DOpenCL\_LIBRARY=/home/moto/OpenCL-ICD-Loader/build/test/driver\_stub/libOpenCLDriverStub.so -DGMX\_GPU=ON -DGMX\_USE\_OPENCL=ON -DGMX\_OPENCL\_NB\_CLUSTER\_SIZE=4 -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON It looked OK. But when I executed make, I got error messages as follows. Could you please let me know what went wrong? Sincerely, Moto …/…/lib/libgromacs.so.5.0.0: undefined reference to `clBuildProgram’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clEnqueueNDRangeKernel’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clSetKernelArg’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clReleaseMemObject’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clFinish’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetCommandQueueInfo’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clReleaseContext’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clReleaseEvent’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clEnqueueWriteBuffer’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clEnqueueReadBuffer’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clEnqueueBarrierWithWaitList’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clEnqueueFillBuffer’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetProgramBuildInfo’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clCreateContext’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetDeviceIDs’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetContextInfo’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetDeviceInfo’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clReleaseCommandQueue’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetPlatformIDs’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clWaitForEvents’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetEventProfilingInfo’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clCreateProgramWithBinary’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clCreateCommandQueue’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetKernelWorkGroupInfo’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clRetainEvent’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clRetainContext’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clReleaseProgram’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clFlush’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetProgramInfo’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clCreateKernel’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clCreateBuffer’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clCreateKernelsInProgram’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clCreateProgramWithSource’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clReleaseKernel’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clEnqueueMarkerWithWaitList’ …/…/lib/libgromacs.so.5.0.0: undefined reference to `clGetKernelInfo’ collect2: error: ld returned 1 exit status share/template/CMakeFiles/template.dir/build.make:97: recipe for target ‘bin/template’ failed make[2]: \*\*\* [bin/template] Error 1 CMakeFiles/Makefile2:2219: recipe for target ‘share/template/CMakeFiles/template.dir/all’ failed make[1]: \*\*\* [share/template/CMakeFiles/template.dir/all] Error 2 Makefile:162: recipe for target ‘all’ failed make: \*\*\* [all] Error 2 ![FC5B576054F849DD900FFFD6F494E9CB.png](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/1X/677f06bdf711468707faf594c72c7993f90d2513.png) ---
**Author:** ![icaspell](https://avatars.discourse-cdn.com/v4/letter/i/5daacb/32.png) [@icaspell](https://gromacs.bioexcel.eu/u/icaspell)\ **Post date:** [October 21, 2022, 6:54pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2020-3-with-opencl/568/4 "2022-10-21T18:54:15Z")
I also get similar error with opencl