Table of Contents

Materials Modeling Laboratory, Basics

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Running your first batch job

If you have limited experience with supercomputers and batch jobs, please start with creating an account at NSC and run a simple test job there. How to do this is described here.

Make sure you have some basic understanding of the unix command line and bash scripting

Here is a good beginners guide: http://tldp.org/LDP/Bash-Beginners-Guide/html/

Our example scripts given on this wiki follow a certain standard; this page gives an overview.

Configuring your environment

Before you can actually use computational codes, etc., you usually need to make some configurations. This configuration is different at different supercomputing centers, and even between systems at the same center. Please refer to the instructions for the systems relevant for you: