EESSI

EESSI (European Environment for Scientific Software Installations) is a collaborative project that standardizes and streamlines the deployment of scientific software across diverse computing environments, like HPC clusters such as Komondor. It provides pre-built, optimized software stacks via CernVM File System (CVMFS), offering portability, ease of use through module commands, and consistency for researchers.

Using the EESSI module, a large number of scientific programs (500) are readily available for Komondor users. Here’s a short description of how to load a program like LAMMPS through EESSI, specifically for eessi/2023.06:

1. Initialize the EESSI environment: To make the EESSI software available, you first need to source the EESSI initialization script for the 2023.06 version. This command sets up your bash shell environment:

   module load eessi
   

   or

   source /cvmfs/software.eessi.io/versions/2023.06/init/bash
   

2. Load the desired program: After initializing the EESSI environment, you can use the module load command to load LAMMPS. To see all available LAMMPS versions within EESSI 2023.06, you could run module avail LAMMPS. Then, to load a specific version:

   module load LAMMPS/29Aug2024-foss-2023b-kokkos
   

   Once loaded, the program will be accessible in your terminal session, ready to use.

Last update by Milán SZŐRI: 2025-06-15