How To Install quantum-espresso-openmpi on CentOS 7

In this tutorial we learn how to install quantum-espresso-openmpi on CentOS 7. quantum-espresso-openmpi is quantum-espresso - openmpi version

Introduction

In this tutorial we learn how to install quantum-espresso-openmpi on CentOS 7.

What is quantum-espresso-openmpi

QUANTUM ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. This package contains the openmpi version.

We can use yum or dnf to install quantum-espresso-openmpi on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install quantum-espresso-openmpi.

Install quantum-espresso-openmpi on CentOS 7 Using yum

Update yum database with yum using the following command.

sudo yum makecache

After updating yum database, We can install quantum-espresso-openmpi using yum by running the following command:

sudo yum -y install quantum-espresso-openmpi

Install quantum-espresso-openmpi 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 quantum-espresso-openmpi using dnf by running the following command:

sudo dnf -y install quantum-espresso-openmpi

How To Uninstall quantum-espresso-openmpi on CentOS 7

To uninstall only the quantum-espresso-openmpi package we can use the following command:

sudo dnf remove quantum-espresso-openmpi

References

Summary

In this tutorial we learn how to install quantum-espresso-openmpi on CentOS 7 using yum and dnf.