How To Install gromacs-mpich on CentOS 7
Introduction
In this tutorial we learn how to install gromacs-mpich on CentOS 7.
What is gromacs-mpich
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 MPICH (for running on multiple nodes). This package single and double precision binaries and libraries.
We can use yum or dnf to install gromacs-mpich on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install gromacs-mpich.
Install gromacs-mpich on CentOS 7 Using yum
Update yum database with yum using the following command.
sudo yum makecache
After updating yum database, We can install gromacs-mpich using yum by running the following command:
sudo yum -y install gromacs-mpich
Install gromacs-mpich on CentOS 7 Using dnf
If you don’t have dnf installed you can install DNF on CentOS 7 first.
Update yum database with dnf using the following command.
sudo dnf makecache
After updating yum database, We can install gromacs-mpich using dnf by running the following command:
sudo dnf -y install gromacs-mpich
How To Uninstall gromacs-mpich on CentOS 7
To uninstall only the gromacs-mpich package we can use the following command:
sudo dnf remove gromacs-mpich
References
Summary
In this tutorial we learn how to install gromacs-mpich on CentOS 7 using yum and dnf.
