# Installing GROMACS on Ubuntu with CUDA GPU Support Fails **URL:** \ **Category:** User discussions\ **Tags:** gpu\ **Created:** [September 1, 2022, 12:46pm UTC](https://gromacs.bioexcel.eu/t/installing-gromacs-on-ubuntu-with-cuda-gpu-support-fails/4714 "2022-09-01T12:46:25Z")\ **Posts on this page:** 2\ **Page:** 1
**Author:** ![faruqe](https://avatars.discourse-cdn.com/v4/letter/f/aca169/32.png) [@faruqe](https://gromacs.bioexcel.eu/u/faruqe)\ **Post date:** [September 1, 2022, 12:46pm UTC](https://gromacs.bioexcel.eu/t/installing-gromacs-on-ubuntu-with-cuda-gpu-support-fails/4714/1 "2022-09-01T12:46:25Z")
Ubuntu 22.04 gcc (Ubuntu 11.2.0-19ubuntu1) 11.2.0 GROMACS version: gromacs-2022.2 GROMACS modification: No $ nvcc --version nvcc: NVIDIA (R) Cuda compiler driver Copyright (c) 2005-2021 NVIDIA Corporation Built on Thu\_Nov\_18\_09:45:30\_PST\_2021 Cuda compilation tools, release 11.5, V11.5.119 Build cuda\_11.5.r11.5/compiler.30672275\_0 $ nvidia-smi Thu Sep 1 18:42:48 2022 ±----------------------------------------------------------------------------+ | NVIDIA-SMI 510.85.02 Driver Version: 510.85.02 CUDA Version: 11.6 | |-------------------------------±---------------------±---------------------+ | GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. ECC | | Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M. | | | | MIG M. | |===============================+======================+======================| | 0 NVIDIA GeForce … Off | 00000000:42:00.0 On | N/A | | 27% 35C P8 25W / 250W | 1678MiB / 8192MiB | 5% Default | | | | N/A | ±------------------------------±---------------------±---------------------+ ±----------------------------------------------------------------------------+ | Processes: | | GPU GI CI PID Type Process name GPU Memory | | ID ID Usage | |=============================================================================| | 0 N/A N/A 1760 G /usr/lib/xorg/Xorg 807MiB | | 0 N/A N/A 2094 G /usr/bin/gnome-shell 126MiB | | 0 N/A N/A 3613 G …RendererForSitePerProcess 167MiB | | 0 N/A N/A 98530 C+G ./yasara 163MiB | | 0 N/A N/A 180148 G …030562158609341530,131072 403MiB | | 0 N/A N/A 466910 G gnome-control-center 2MiB | ±----------------------------------------------------------------------------+ I am following [Installation guide — GROMACS 2022.2 documentation](https://manual.gromacs.org/current/install-guide/index.html) $ sudo cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_GPU=CUDA → Succeeded $ sudo make [26%] Built target scanner [26%] Generating baseversion-gen.cpp [26%] Building NVCC (Device) object src/gromacs/CMakeFiles/libgromacs.dir/domdec/libgromacs\_generated\_gpuhaloexchange\_impl.cu.o /usr/include/c++/11/bits/std\_function.h:435:145: error: parameter packs not expanded with ‘…’: 435 | function(\_Functor&& \_\_f) | ^ /usr/include/c++/11/bits/std\_function.h:435:145: note: ‘\_ArgTypes’ /usr/include/c++/11/bits/std\_function.h:530:146: error: parameter packs not expanded with ‘…’: 530 | operator=(\_Functor&& \_\_f) | ^ /usr/include/c++/11/bits/std\_function.h:530:146: note: ‘\_ArgTypes’ CMake Error at libgromacs\_generated\_gpuhaloexchange\_impl.cu.o.Release.cmake:280 (message): Error generating file /home/faruqe/Downloads/gromacs-2022.2/build-gpu/src/gromacs/CMakeFiles/libgromacs.dir/domdec/./libgromacs\_generated\_gpuhaloexchange\_impl.cu.o make[2]: \*\*\* [src/gromacs/CMakeFiles/libgromacs.dir/build.make:133: src/gromacs/CMakeFiles/libgromacs.dir/domdec/libgromacs\_generated\_gpuhaloexchange\_impl.cu.o] Error 1 make[1]: \*\*\* [CMakeFiles/Makefile2:4883: src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2 make: \*\*\* [Makefile:166: all] Error 2 But If I install using apt-get with `sudo apt-get install gromacs` command, gromacs installed properly without GPU support (CUDA) How can I build gromacs with GPU support ? ---
**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:** [September 1, 2022, 7:08pm UTC](https://gromacs.bioexcel.eu/t/installing-gromacs-on-ubuntu-with-cuda-gpu-support-fails/4714/2 "2022-09-01T19:08:33Z")
Hi faruqe! It is a known issue with recent CUDA and GCC 11.x. We’ll add it to the official list of known issues in the next release of GROMACS :). As a solution, you can install `g++-9` and use it (`cmake -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DCMAKE_C_COMPILER=gcc-9 -DCMAKE_CXX_COMPILER=g++-9`). Sidenote: it is usually excessive and not very secure to run `cmake` and `make` with `sudo`. Only `make install` requires it. But that is not related to the issue you’re observing.