How To Install gromacs-opencl on CentOS 7
Introduction
In this tutorial we learn how to install gromacs-opencl on CentOS 7.
What is gromacs-opencl
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. This package includes the OpenCL kernels.
We can use yum or dnf to install gromacs-opencl on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install gromacs-opencl.
Install gromacs-opencl 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-opencl using yum by running the following command:
sudo yum -y install gromacs-opencl
Install gromacs-opencl 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-opencl using dnf by running the following command:
sudo dnf -y install gromacs-opencl
How To Uninstall gromacs-opencl on CentOS 7
To uninstall only the gromacs-opencl package we can use the following command:
sudo dnf remove gromacs-opencl
References
Summary
In this tutorial we learn how to install gromacs-opencl on CentOS 7 using yum and dnf.