How To Install gromacs-openmpi on Rocky Linux 8
Introduction
In this tutorial we learn how to install gromacs-openmpi on Rocky Linux 8.
What is gromacs-openmpi
GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. mdrun has been compiled with thread parallellization (for running on a single node) and with Open MPI (for running on multiple nodes). This package single and double precision binaries and libraries.
We can use yum or dnf to install gromacs-openmpi on Rocky Linux 8. In this tutorial we discuss both methods but you only need to choose one of method to install gromacs-openmpi.
Install gromacs-openmpi on Rocky Linux 8 Using dnf
Update yum database with dnf using the following command.
sudo dnf makecache --refresh
After updating yum database, We can install gromacs-openmpi using dnf by running the following command:
sudo dnf -y install gromacs-openmpi
Install gromacs-openmpi on Rocky Linux 8 Using yum
Update yum database with yum using the following command.
sudo yum makecache --refresh
After updating yum database, We can install gromacs-openmpi using yum by running the following command:
sudo yum -y install gromacs-openmpi
How To Uninstall gromacs-openmpi on Rocky Linux 8
To uninstall only the gromacs-openmpi package we can use the following command:
sudo dnf remove gromacs-openmpi
gromacs-openmpi Package Contents on Rocky Linux 8
/usr/lib/.build-id
/usr/lib/.build-id/9a
/usr/lib/.build-id/9a/bc774526ecd8fd4c8ce6074424a1981d1f1bda
/usr/lib/.build-id/dd
/usr/lib/.build-id/dd/cec29b28aae07fc38ec18c2831e1d924dd5d3a
/usr/lib64/openmpi/bin/mdrun_openmpi
/usr/lib64/openmpi/bin/mdrun_openmpi_d
References
Summary
In this tutorial we learn how to install gromacs-openmpi on Rocky Linux 8 using yum and dnf.
