# GROMACS 2022+CP2K with GPU **URL:** \ **Category:** User discussions\ **Tags:** gpu, qm-mm\ **Created:** [March 25, 2022, 4:04pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-cp2k-with-gpu/3897 "2022-03-25T16:04:00Z")\ **Posts on this page:** 3\ **Page:** 1
**Author:** ![martin.calvelo](https://avatars.discourse-cdn.com/v4/letter/m/71c47a/32.png) [@martin.calvelo](https://gromacs.bioexcel.eu/u/martin.calvelo)\ **Post date:** [March 25, 2022, 4:04pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-cp2k-with-gpu/3897/1 "2022-03-25T16:04:00Z")
GROMACS version: GROMACS 2022 GROMACS modification: Yes/No (CP2K) Hi dear users and developers, I would like to know if GROMACS 2022 coupled with CP2K could be compiled and executed using GPU’s (NVIDIA). Many thanks in advance! Best, Martín ---
**Author:** ![dmorozov](https://avatars.discourse-cdn.com/v4/letter/d/dec6dc/32.png) [@dmorozov](https://gromacs.bioexcel.eu/u/dmorozov)\ **Post date:** [March 28, 2022, 7:13am UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-cp2k-with-gpu/3897/2 "2022-03-28T07:13:56Z")
Hi Martin, Yes it could be compiled with CUDA support, however not all devices are supported for now by CP2K. Check CP2K installation guide: [https://github.com/cp2k/cp2k/blob/master/INSTALL.md](https://github.com/cp2k/cp2k/blob/master/INSTALL.md) Also you could check which parts of CP2K for now are ported into CUDA: [https://www.cp2k.org/gpu](https://www.cp2k.org/gpu) Performance of the QM/MM in any case would be limited by the performance of CP2K. As you see GEEP electrostatics (which is used in QM/MM) is not yet supporting CUDA, so probably you would not gain much from using GPUs, but still you could try. ---
**Author:** ![martin.calvelo](https://avatars.discourse-cdn.com/v4/letter/m/71c47a/32.png) [@martin.calvelo](https://gromacs.bioexcel.eu/u/martin.calvelo)\ **Post date:** [March 29, 2022, 12:57pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2022-cp2k-with-gpu/3897/3 "2022-03-29T12:57:52Z")
Thank you very much for your answer!