1. Introduction

As a student and researcher in theoretical chemistry and computational modelling, you will probably work in a unix HPC environment. The unix variant will in a lot of cases be a linux distribution. Presumably, the access to this unix/linux system will be through a remote connection from your local PC. Normally, this means that you will not work in a graphical environment on the remote machine, but in a command line environment, where you interact with the system using commands typed from your keyboard.

This course will give you an introduction in using the command line in a typical linux-system. The main purpose is to give you enough knowledge for running calculations, organizing your data and reviewing the results. The concrete steps to run a quantumchemical or modelling calculation will not be given, as they depend on the local situation.

The technical details of the linux operating system will be kept to the minimum considered usefull for working in the command line environment.