# Fatal error: No GPU is detected. please need help **URL:** \ **Category:** User discussions\ **Tags:** mdp-parameters, gpu, simulation-setup\ **Created:** [November 18, 2023, 9:03pm UTC](https://gromacs.bioexcel.eu/t/fatal-error-no-gpu-is-detected-please-need-help/7669 "2023-11-18T21:03:06Z")\ **Posts on this page:** 6\ **Page:** 1
**Author:** ![Benaouda](https://avatars.discourse-cdn.com/v4/letter/b/439d5e/32.png) [@Benaouda](https://gromacs.bioexcel.eu/u/Benaouda)\ **Post date:** [November 18, 2023, 9:03pm UTC](https://gromacs.bioexcel.eu/t/fatal-error-no-gpu-is-detected-please-need-help/7669/1 "2023-11-18T21:03:06Z")
GROMACS version:2023.3 GROMACS modification: Yes/No Please help , ![Capture d’écran du 2023-11-18 21-44-48](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/f/f53d89f34b12be713a73d18e6579847898c2834b.png) when i do gmx\_mpi ![Capture d’écran du 2023-11-18 21-45-46](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/8/8b29e2520c1b12786955993fdd57293d3e41ad4a.png) rocm is installed ![Capture d’écran du 2023-11-18 21-47-32](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/f/f08fa3b79613cdb707f765e9af5349f96d4354e5.png) clinfo ![Capture d’écran du 2023-11-18 21-48-45](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/f/f9383aa64b412349c5ba57b9263e26d70c2dd57e.png) ![Capture d’écran du 2023-11-18 21-49-15](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/6/6f5bbbd6eda641a49a9db07d2800ba626b451b12.png) when i did minimization with cpu mpi are shown ![Capture d’écran du 2023-11-18 21-51-09](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/d/d88a62a0f3a27f15fc05803dc55f58af5d3c74bb.png) please help me i am in one week just for the configuration ---
**Author:** ![al42and](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/al42and/32/1393_2.png) [@al42and](https://gromacs.bioexcel.eu/u/al42and)\ **Post date:** [November 20, 2023, 2:54pm UTC](https://gromacs.bioexcel.eu/t/fatal-error-no-gpu-is-detected-please-need-help/7669/2 "2023-11-20T14:54:38Z")
Hi! According to your `clinfo` output, you have `gfx1010` GPU with `RDNA` architecture, which [is not supported with OpenCL in GROMACS](https://manual.gromacs.org/2023.3/install-guide/index.html#gpu-support). If you want to run GROMACS on this GPU, you need to use the SYCL backend: [https://manual.gromacs.org/2023.3/install-guide/index.html#sycl-gpu-acceleration-for-amd-gpus](https://manual.gromacs.org/2023.3/install-guide/index.html#sycl-gpu-acceleration-for-amd-gpus). – Best, Andrey ---
**Author:** ![Benaouda](https://avatars.discourse-cdn.com/v4/letter/b/439d5e/32.png) [@Benaouda](https://gromacs.bioexcel.eu/u/Benaouda)\ **Post date:** [November 24, 2023, 8:21am UTC](https://gromacs.bioexcel.eu/t/fatal-error-no-gpu-is-detected-please-need-help/7669/4 "2023-11-24T08:21:05Z")
I re-install it with hipsycl and when i do gmx – versions i got gpu disabled ![Capture d’écran du 2023-11-22 18-51-32](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/b/bd67fccd75f7854d89550bc0a383d4e2e9231aa5.png) ![Capture d’écran du 2023-11-22 18-50-42](https://europe1.discourse-cdn.com/flex017/uploads/bioexcel1/original/2X/d/d5d261dfcbd73a9ed0fa56e03d078d1a87661bc1.png) i install it like the tutoreils tar xfz gromacs-2023.3.tar.gz cd gromacs-2023.3 mkdir build cd build cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON export LD\_LIBRARY\_PATH=/snap/core22/858/usr/lib/x86\_64-linux-gnu/:$LD\_LIBRARY\_PATH cmake … -DLLVM\_DIR=/opt/rocm-5.7.0/llvm/lib/cmake/llvm/ -DCMAKE\_C\_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang -DCMAKE\_CXX\_COMPILER=/usr/bin/g++ -DCXX\_STANDARD\_LIBRARIES=“-stdlib=libstdc++ -L/snap/core22/858/usr/lib/x86\_64-linux-gnu/” and when i do this command DGMX\_GPU=SYCL -DGMX\_SYCL\_HIPSYCL=ON -DHIPSYCL\_TARGETS=‘hip:gfx1010’ i got error please help ---
**Author:** ![al42and](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/al42and/32/1393_2.png) [@al42and](https://gromacs.bioexcel.eu/u/al42and)\ **Post date:** [November 24, 2023, 7:24pm UTC](https://gromacs.bioexcel.eu/t/fatal-error-no-gpu-is-detected-please-need-help/7669/5 "2023-11-24T19:24:11Z")
> [@Benaouda](#): > > and when i do this command > DGMX\_GPU=SYCL -DGMX\_SYCL\_HIPSYCL=ON -DHIPSYCL\_TARGETS=‘hip:gfx1010’ i got error > please help This is not a separate command. This should be the part of the CMake command. Since `-DGMX_GPU=SYCL` was not part of your `cmake` call, GROMACS was build without GPU support, as you can see in `gmx --version` output. Which tutorial are you using? You have a very strange mix of flags, which would not work together. E.g., `-DCMAKE_C_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang -DCMAKE_CXX_COMPILER=/usr/bin/g++` already is **not** a supported combination, one should not mix clang and g++. And you seem to also use `libstdc++` from a snap package, which should not be needed on a recent Ubuntu machine (assuming that’s what you use). Have you tried following [the manual](https://manual.gromacs.org/current/install-guide/index.html#sycl-gpu-acceleration-for-amd-gpus), and (after installing hipSYCL and making sure `hipsycl-info` shows the GPU), build GROMACS with ```auto cmake .. -DCMAKE_C_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang \ -DCMAKE_CXX_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang++ \ -DGMX_GPU=SYCL -DGMX_SYCL_HIPSYCL=ON -DHIPSYCL_TARGETS='hip:gfx1010' ``` ---
**Author:** ![Benaouda](https://avatars.discourse-cdn.com/v4/letter/b/439d5e/32.png) [@Benaouda](https://gromacs.bioexcel.eu/u/Benaouda)\ **Post date:** [November 25, 2023, 4:48pm UTC](https://gromacs.bioexcel.eu/t/fatal-error-no-gpu-is-detected-please-need-help/7669/6 "2023-11-25T16:48:24Z")
> [@al42and](#): > > ```auto > make .. -DCMAKE_C_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang \ > -DCMAKE_CXX_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang++ \ > -DGMX_GPU=SYCL -DGMX_SYCL_HIPSYCL=ON -DHIPSYCL_TARGETS='hip:gfx1010' > > ``` > [@al42and](#): > > ```auto > make .. -DCMAKE_C_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang \ > -DCMAKE_CXX_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang++ \ > -DGMX_GPU=SYCL -DGMX_SYCL_HIPSYCL=ON -DHIPSYCL_TARGETS='hip:gfx1010' > > ``` i had reinstall it it and when i do how you tell me its show cmake … -DCMAKE\_C\_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang -DCMAKE\_CXX\_COMPILER=/opt/rocm-5.7.0/llvm/bin/clang++ -DGMX\_GPU=SYCL -DGMX\_SYCL\_HIPSYCL=ON -DHIPSYCL\_TARGETS=‘hip:gfx1010’ CMake Deprecation Warning at /usr/local/lib/cmake/hipSYCL/hipsycl-config.cmake:27 (message): find\_package(hipSYCL) is deprecated. Use find\_package(AdaptiveCpp) instead. For this, you may have to set -DAdaptiveCpp\_DIR=/install/prefix/lib/cmake/AdaptiveCpp. Additionally, replace -DHIPSYCL\_\* cmake arguments with -DACPP\_\* Call Stack (most recent call first): cmake/gmxManageSYCL.cmake:88 (find\_package) CMakeLists.txt:667 (include) – Checking for valid hipSYCL compiler CMake Deprecation Warning at /usr/local/lib/cmake/hipSYCL/hipsycl-config.cmake:27 (message): find\_package(hipSYCL) is deprecated. Use find\_package(AdaptiveCpp) instead. For this, you may have to set -DAdaptiveCpp\_DIR=/install/prefix/lib/cmake/AdaptiveCpp. Additionally, replace -DHIPSYCL\_\* cmake arguments with -DACPP\_\* Call Stack (most recent call first): /home/ben/gromacs-2023.3/cmake/HipSyclTest/CMakeLists.txt:36 (find\_package) CMake Error at cmake/gmxManageSYCL.cmake:117 (message): hipSYCL compiler not working: Change Dir: /home/ben/gromacs-2023.3/build/CMakeTmpHipSyclTest Run Build Command(s):/usr/bin/gmake -f Makefile && [50%] Building CXX object CMakeFiles/HipSyclTest.dir/main.cpp.o error: unable to load plugin ‘/usr/local/bin/…/lib/libacpp-clang.so’: ‘/usr/local/bin/…/lib/libacpp-clang.so: undefined symbol: \_ZTIN4llvm2cl18GenericOptionValueE’ acpp warning: No optimization flag was given, optimizations are disabled by default. Performance may be degraded. Compile with e.g. -O2/-O3 to enable optimizations. gmake[2]: \*\*\* [CMakeFiles/HipSyclTest.dir/build.make:78 : CMakeFiles/HipSyclTest.dir/main.cpp.o] Erreur 1 gmake[1]: \*\*\* [CMakeFiles/Makefile2:83 : CMakeFiles/HipSyclTest.dir/all] Erreur 2 gmake: \*\*\* [Makefile:91 : all] Erreur 2 Call Stack (most recent call first): CMakeLists.txt:667 (include) – Configuring incomplete, errors occurred! See also “/home/ben/gromacs-2023.3/build/CMakeFiles/CMakeOutput.log”. See also “/home/ben/gromacs-2023.3/build/CMakeFiles/CMakeError.log”. ---
**Author:** ![al42and](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/al42and/32/1393_2.png) [@al42and](https://gromacs.bioexcel.eu/u/al42and)\ **Post date:** [November 27, 2023, 7:06pm UTC](https://gromacs.bioexcel.eu/t/fatal-error-no-gpu-is-detected-please-need-help/7669/7 "2023-11-27T19:06:14Z")
> error: unable to load plugin ‘/usr/local/bin/…/lib/libacpp-clang.so’: > ‘/usr/local/bin/…/lib/libacpp-clang.so: undefined symbol: > \_ZTIN4llvm2cl18GenericOptionValueE’ It looks your hipSYCL/AdaptiveCpp installation is not functional. How did you configure it? Specifically, did you set `CMAKE_CXX_COMPILER` and `LLVM_DIR` explicitly as detailed in the [installation guide](https://manual.gromacs.org/documentation/current/install-guide/index.html#sycl-gpu-acceleration-for-amd-gpus)? Did you check that `acpp-info` runs and detects your GPU?