# Run the GROMACS using GPU in mac os **URL:** \ **Category:** User discussions\ **Created:** [May 28, 2020, 4:29pm UTC](https://gromacs.bioexcel.eu/t/run-the-gromacs-using-gpu-in-mac-os/208 "2020-05-28T16:29:17Z")\ **Posts on this page:** 4\ **Page:** 1
**Author:** ![jspark](https://avatars.discourse-cdn.com/v4/letter/j/6a8cbe/32.png) [@jspark](https://gromacs.bioexcel.eu/u/jspark)\ **Post date:** [May 28, 2020, 4:29pm UTC](https://gromacs.bioexcel.eu/t/run-the-gromacs-using-gpu-in-mac-os/208/1 "2020-05-28T16:29:17Z")
GROMACS version: 2020.2 GROMACS modification: No When I run the GROMACS using GPU on my laptop, macbook pro 16inch (5500M), it always fails. I think this problem is gpu related one, because when I run the GROMACS only using the CPU, there was no error. I really want to run it using GPU, but I don’t know how to solve this problem. During the installation, i performed the “make check”, and then Several errors including Mpi and mdrun test are occurred. Also, when I run the gromacs, I always see this sentence, “ Water molecule starting at atom #### can not be settled” Is it a problem originated in my laptop? Or is there any way to solve it ? GPU: radeon 5500M Mac os version: catalina 10.15.5 Thanks Jongseo ---
**Author:** ![Teslim](https://avatars.discourse-cdn.com/v4/letter/t/f1d935/32.png) [@Teslim](https://gromacs.bioexcel.eu/u/Teslim)\ **Post date:** [May 29, 2020, 12:19pm UTC](https://gromacs.bioexcel.eu/t/run-the-gromacs-using-gpu-in-mac-os/208/2 "2020-05-29T12:19:29Z")
you should try to check whether the GPU option was activated during installation. Run gmx pdb2gmx and you will get the details ---
**Author:** ![blumscientific](https://avatars.discourse-cdn.com/v4/letter/b/df788c/32.png) [@blumscientific](https://gromacs.bioexcel.eu/u/blumscientific)\ **Post date:** [July 3, 2020, 11:19am UTC](https://gromacs.bioexcel.eu/t/run-the-gromacs-using-gpu-in-mac-os/208/3 "2020-07-03T11:19:31Z")
I can reproduce this error. Both on a 2019 iMac and a 2018 MacBookPro under Catalina. Compilation with CPU works fine and passes all the tests. Compiling with GPU/OpenCL support work but fails several tests including mdrun. Problems arise both with Clang and GCC-9 as compilers. Radeon Pro Vega 48 on the iMac and Radeon 560X on the MacBook Pro. ---
**Author:** ![Johnla](https://avatars.discourse-cdn.com/v4/letter/j/57b2e6/32.png) [@Johnla](https://gromacs.bioexcel.eu/u/Johnla)\ **Post date:** [January 16, 2023, 12:53am UTC](https://gromacs.bioexcel.eu/t/run-the-gromacs-using-gpu-in-mac-os/208/4 "2023-01-16T00:53:30Z")
I tried with my macbook pro(32GB, Radeon Pro 560X, 4GB memory) with the following command: cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_GPU=OpenCL -DCMAKE\_C\_COMPILER=clang -DCMAKE\_CXX\_COMPILER=clang++ when doing make check, I saw the following error: 82% tests passed, 13 tests failed out of 71 Label Time Summary: GTest = 25.93 sec_proc (65 tests) IntegrationTest = 7.50 sec_proc (18 tests) MpiTest = 1.35 sec_proc (8 tests) SlowTest = 12.24 sec_proc (8 tests) UnitTest = 6.19 sec\*proc (39 tests) Total Test time (real) = 96.45 sec The following tests FAILED: 20 - EwaldUnitTests (Failed) 53 - MdrunOutputTests (Failed) 54 - MdrunModulesTests (Failed) 55 - MdrunIOTests (Failed) 56 - MdrunTests (Failed) 57 - MdrunPmeTests (Failed) 58 - MdrunNonIntegratorTests (Failed) 60 - MdrunMpiTests (Failed) 61 - MdrunMpiPmeTests (Failed) 66 - GmxapiExternalInterfaceTests (Failed) 68 - regressiontests/complex (Failed) 69 - regressiontests/freeenergy (Failed) 71 - regressiontests/essentialdynamics (Failed) Errors while running CTest make[3]: \*\*\* [CMakeFiles/run-ctest-nophys] Error 8 make[2]: \*\*\* [CMakeFiles/run-ctest-nophys.dir/all] Error 2 make[1]: \*\*\* [CMakeFiles/check.dir/rule] Error 2 make: \*\*\* [check] Error 2