# \#installation-guide **URL:** https://gromacs.bioexcel.eu/tag/installation-guide/15.md [Latest](https://gromacs.bioexcel.eu/latest.md) · [Categories](https://gromacs.bioexcel.eu/categories.md) · [Tags](https://gromacs.bioexcel.eu/tags.md) --- ## [Install workflow with AMD GPU support (Framework 16, Ubuntu 24.04, GPU: AMD Radeon RX 7700S)](https://gromacs.bioexcel.eu/t/install-workflow-with-amd-gpu-support-framework-16-ubuntu-24-04-gpu-amd-radeon-rx-7700s/10870)
**Author:** [@cyano](https://gromacs.bioexcel.eu/u/cyano)\ **Replies:** 11\ **Last updated:** [May 6, 2026, 1:40pm UTC](https://gromacs.bioexcel.eu/t/install-workflow-with-amd-gpu-support-framework-16-ubuntu-24-04-gpu-amd-radeon-rx-7700s/10870 "2026-05-06T13:40:59Z")
Hello, Dear all! I am a person only intermediately experienced with Linux installs and also fairly easily frustrated :D. After a few days of struggle, I managed to install Gromacs with AMD GPU support on my Laptop and t… --- ## [constant-pH gromacs: Installation error](https://gromacs.bioexcel.eu/t/constant-ph-gromacs-installation-error/11887)
**Author:** [@rube23](https://gromacs.bioexcel.eu/u/rube23)\ **Replies:** 5\ **Last updated:** [April 10, 2025, 4:32pm UTC](https://gromacs.bioexcel.eu/t/constant-ph-gromacs-installation-error/11887 "2025-04-10T16:32:04Z")
GROMACS version: 2021 GROMACS modification: Yes I am trying to install constant-pH fork of gromacs. During installation I am encountering this error. \[ 77%\] Building CXX object src/gromacs/CMakeFiles/libgromacs.dir/ap… --- ## [How to Set up MMPBSA in Gromacs 2024.1](https://gromacs.bioexcel.eu/t/how-to-set-up-mmpbsa-in-gromacs-2024-1/9505)
**Author:** [@KHATEN](https://gromacs.bioexcel.eu/u/KHATEN)\ **Replies:** 10\ **Last updated:** [August 12, 2024, 9:20am UTC](https://gromacs.bioexcel.eu/t/how-to-set-up-mmpbsa-in-gromacs-2024-1/9505 "2024-08-12T09:20:53Z")
GROMACS version: 2024.1 GROMACS modification: No Guide me please to install and run MMPBSA in Gromacs 2024.1, I have found which is a version of 2021, will that work on Gromacs 24? Guide me please… --- ## [Does amd rx7900 xtx GPU works for GROMACS or should I choose Nvidia rtx 4070ti?](https://gromacs.bioexcel.eu/t/does-amd-rx7900-xtx-gpu-works-for-gromacs-or-should-i-choose-nvidia-rtx-4070ti/8680)
**Author:** [@Johnla](https://gromacs.bioexcel.eu/u/Johnla)\ **Replies:** 3\ **Last updated:** [March 30, 2024, 8:21pm UTC](https://gromacs.bioexcel.eu/t/does-amd-rx7900-xtx-gpu-works-for-gromacs-or-should-i-choose-nvidia-rtx-4070ti/8680 "2024-03-30T20:21:56Z")
GROMACS version: 2024.1 GROMACS modification: Yes/No Here post your question Hello there, I am thinking of setting up a personal work station for GROMACS. My current Nvidia 970 graphic card works with GROMACS flawless… --- ## [Error in compiling intel gpu with gromacs](https://gromacs.bioexcel.eu/t/error-in-compiling-intel-gpu-with-gromacs/7564)
**Author:** [@Ashutosh](https://gromacs.bioexcel.eu/u/Ashutosh)\ **Replies:** 5\ **Last updated:** [November 20, 2023, 4:34pm UTC](https://gromacs.bioexcel.eu/t/error-in-compiling-intel-gpu-with-gromacs/7564 "2023-11-20T16:34:37Z")
after success installing Intel oneAPI DPC++ and added environment by running it i have runned the following command cmake … -DCMAKE\_C\_COMPILER=icx -DCMAKE\_CXX\_COMPILER=icpx -DGMX\_GPU=SYCL and this error occured i a… --- ## [Gromacs 2023 installation issue, slower run with gmx\_mpi on multiple nodes](https://gromacs.bioexcel.eu/t/gromacs-2023-installation-issue-slower-run-with-gmx-mpi-on-multiple-nodes/7481)
**Author:** [@subhamoy](https://gromacs.bioexcel.eu/u/subhamoy)\ **Replies:** 0\ **Last updated:** [October 26, 2023, 8:01pm UTC](https://gromacs.bioexcel.eu/t/gromacs-2023-installation-issue-slower-run-with-gmx-mpi-on-multiple-nodes/7481 "2023-10-26T20:01:32Z")
GROMACS version: 2023 GROMACS modification: No Here post your question I am trying to install Gromacs 2023 on an HPC and hoping to do it correctly to get highest performance possible. HPC has Dual Intel Xeon Gold Skyl… --- ## [GROMACS Installation in Centralised Supercomputing Facility](https://gromacs.bioexcel.eu/t/gromacs-installation-in-centralised-supercomputing-facility/7029)
**Author:** [@SarthakTrivedi](https://gromacs.bioexcel.eu/u/SarthakTrivedi)\ **Replies:** 5\ **Last updated:** [August 26, 2023, 5:42am UTC](https://gromacs.bioexcel.eu/t/gromacs-installation-in-centralised-supercomputing-facility/7029 "2023-08-26T05:42:09Z")
GROMACS version: 2021.4 GROMACS modification: Yes/No Can anyone guide me a systematic installation of GROMACS 2021.4 in Central Supercomputing Facility ? I want to install GROMACS into the centralised supercomputer, w… --- ## [Using multiple GPUs on one machine](https://gromacs.bioexcel.eu/t/using-multiple-gpus-on-one-machine/5974)
**Author:** [@RomanS](https://gromacs.bioexcel.eu/u/RomanS)\ **Replies:** 9\ **Last updated:** [March 24, 2023, 12:12pm UTC](https://gromacs.bioexcel.eu/t/using-multiple-gpus-on-one-machine/5974 "2023-03-24T12:12:20Z")
GROMACS version: 2023 GROMACS modification: No I am building GROMACS to run on a single compute node with four GPUs, and I would like to offload PP work to two of the GPUs and PME work to the two. From the installation… --- ## [Installing GROMACS with OpenMP support using Intel compiler](https://gromacs.bioexcel.eu/t/installing-gromacs-with-openmp-support-using-intel-compiler/3648)
**Author:** [@mattaq](https://gromacs.bioexcel.eu/u/mattaq)\ **Replies:** 3\ **Last updated:** [February 7, 2023, 11:57am UTC](https://gromacs.bioexcel.eu/t/installing-gromacs-with-openmp-support-using-intel-compiler/3648 "2023-02-07T11:57:58Z")
GROMACS version: 2021.5 GROMACS modification: No OS: Mac OS 12.2 Hardware: Macbook Pro 2019 with Intel CPU + AMD GPU Hi, I initially installed GROMACS using the ‘quick and dirty’ guide along with -DGMX\_GPU=OpenCL to … --- ## [Which recent cuda + gromacs versions combo suitable for Tesla C2050 workstation](https://gromacs.bioexcel.eu/t/which-recent-cuda-gromacs-versions-combo-suitable-for-tesla-c2050-workstation/3024)
**Author:** [@azbvenkat](https://gromacs.bioexcel.eu/u/azbvenkat)\ **Replies:** 2\ **Last updated:** [October 26, 2021, 5:06am UTC](https://gromacs.bioexcel.eu/t/which-recent-cuda-gromacs-versions-combo-suitable-for-tesla-c2050-workstation/3024 "2021-10-26T05:06:59Z")
GROMACS version:2020.5 GROMACS modification: Yes Dear All, I am having one workstation with Tesla C2050, for getting performing in GROMACS MD simulation, which gromacs and it supported cuda version suitable for this …