# Configuring gromacs to use mpirun

**URL:** <https://gromacs.bioexcel.eu/t/configuring-gromacs-to-use-mpirun/12857>\
**Category:** User discussions\
**Created:** [October 31, 2025, 1:29am UTC](https://gromacs.bioexcel.eu/t/configuring-gromacs-to-use-mpirun/12857 "2025-10-31T01:29:38Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![Milash](https://avatars.discourse-cdn.com/v4/letter/m/bc79bd/32.png) [@Milash](https://gromacs.bioexcel.eu/u/Milash)\
**Post date:** [October 31, 2025, 1:29am UTC](https://gromacs.bioexcel.eu/t/configuring-gromacs-to-use-mpirun/12857/1 "2025-10-31T01:29:38Z")

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GROMACS version: 2025.3  
GROMACS modification: Yes  
I have installed the gromacs version for a a standalone PC. However I cannot use MPIRUN command to simulate few replicas of the same simulation. Can I modify the existing version to use mpirun ? If yes, can someone guide me through the process ?

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**Author:** ![obZehn](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/obzehn/32/2629_2.png) [@obZehn](https://gromacs.bioexcel.eu/u/obZehn)\
**Post date:** [October 31, 2025, 8:57am UTC](https://gromacs.bioexcel.eu/t/configuring-gromacs-to-use-mpirun/12857/2 "2025-10-31T08:57:01Z")

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Hi @Milash

Yes you can just follow again the installation steps of GROMACS, this time specifying `-DGMX_MPI=ON` to cmake. You can install the binaries in the same directories as the old ones, so that when you source GROMACS you have access to both `gmx` and `gmx_mpi`.

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**Author:** ![Milash](https://avatars.discourse-cdn.com/v4/letter/m/bc79bd/32.png) [@Milash](https://gromacs.bioexcel.eu/u/Milash)\
**Post date:** [November 13, 2025, 1:30pm UTC](https://gromacs.bioexcel.eu/t/configuring-gromacs-to-use-mpirun/12857/3 "2025-11-13T13:30:02Z")

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Oh! I guess I’ll have to reinstall :( Anyway, Thank you very much @obZehn ! I will try to follow your steps :)