How To Install lammps-openmpi3 on CentOS 7

In this tutorial we learn how to install lammps-openmpi3 on CentOS 7. lammps-openmpi3 is LAMMPS Open MPI 3 binaries and libraries

Introduction

In this tutorial we learn how to install lammps-openmpi3 on CentOS 7.

What is lammps-openmpi3

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality. This package contains LAMMPS Open MPI 3 binaries and libraries

We can use yum or dnf to install lammps-openmpi3 on CentOS 7. In this tutorial we discuss both methods but you only need to choose one of method to install lammps-openmpi3.

Install lammps-openmpi3 on CentOS 7 Using yum

Update yum database with yum using the following command.

sudo yum makecache

After updating yum database, We can install lammps-openmpi3 using yum by running the following command:

sudo yum -y install lammps-openmpi3

Install lammps-openmpi3 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 lammps-openmpi3 using dnf by running the following command:

sudo dnf -y install lammps-openmpi3

How To Uninstall lammps-openmpi3 on CentOS 7

To uninstall only the lammps-openmpi3 package we can use the following command:

sudo dnf remove lammps-openmpi3

References

Summary

In this tutorial we learn how to install lammps-openmpi3 on CentOS 7 using yum and dnf.