GROMACS version: 2021.4-Ubuntu-2021.4-2
GROMACS modification: Yes/No
I downloaded the Gromacs 2023.3 from the download and followed the installation guide. when I write gmx --version it says that my gromacs version is " 2021.4-Ubuntu-2021.4-2". I am unable to understand why my version is 2021.
secondly, I want to download a parameter file suitable for the "GROMACS 4.5.x up to 5.x.x " version. I am again confused as what versions are these ?
I downloaded the Gromacs 2023.3 from the download and followed the installation guide. when I write gmx --version it says that my gromacs version is " 2021.4-Ubuntu-2021.4-2". I am unable to understand why my version is 2021.
You should source GMXRC file after installation.
secondly, I want to download a parameter file suitable for the "GROMACS 4.5.x up to 5.x.x " version. I am again confused as what versions are these ?
These are very old versions (pre-2016).
I have the same problem, I downloaded and installed gromacs 2024 and I added gpu for installation but, the version showed me is 2021 and gpu disabled!!!
why??
Did you source the GMXRC of the new installation? Did you read the Installation guide - GROMACS 2024.4 documentation carefully? Especially this section Installation guide - GROMACS 2024.4 documentation.
Yes, I did. finally I uninstalled all things about gromacs, again I downloaded the last version and installed without problem. Just I turned off MPI option.
I don’t know if I can turn it on without uninstalling gromacs.
In the same location where you built GROMACS, you can just turn on the MPI option (with cmake) and recompile and reinstall. You can have both versions in parallel, one will be called gmx, the other gmx_mpi.