Install Gromacs 2022.2 on Linux debian non GPU version

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1

GROMACS version: 2022.2
GROMACS modification: No
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Make Error in /home/Downloads/gromacs-2022.2/build/CMakeFiles/CMakeTmp/CMakeLists.txt:
Imported target “MPI::MPI_C” includes non-existent path

"/usr/lib/x86_64-linux-gnu/openmpi/include"

in its INTERFACE_INCLUDE_DIRECTORIES. Possible reasons include:

  • The path was deleted, renamed, or moved to another location.

  • An install or uninstall procedure did not complete successfully.

  • The installation package was faulty and references files it does not
    provide.

CMake Error in /home/lohith/Downloads/gromacs-2022.2/build/CMakeFiles/CMakeTmp/CMakeLists.txt:
Imported target “MPI::MPI_C” includes non-existent path

"/usr/lib/x86_64-linux-gnu/openmpi/include"

in its INTERFACE_INCLUDE_DIRECTORIES. Possible reasons include:

  • The path was deleted, renamed, or moved to another location.

  • An install or uninstall procedure did not complete successfully.

  • The installation package was faulty and references files it does not
    provide.

CMake Error at /usr/share/cmake-3.23/Modules/FindMPI.cmake:1264 (try_compile):
Failed to generate test project build system.
Call Stack (most recent call first):
/usr/share/cmake-3.23/Modules/FindMPI.cmake:1315 (_MPI_try_staged_settings)
/usr/share/cmake-3.23/Modules/FindMPI.cmake:1638 (_MPI_check_lang_works)
cmake/gmxManageMPI.cmake:65 (find_package)
CMakeLists.txt:422 (include)

Am facing an error while installing Gromacs to my PC, I have mentioned the errors above, Could anybody help me to solve this issue.

2

It happens because GROMACS rely on openmpi package. In that case, just install it before building from source:

sudo apt install libopenmpi-dev