1. Getting set up

Download the correct Quantum Mobile version listed in the homepage of this event.

Note

The credentials of the Quantum Mobile VM that you can download from the main page of this tutorial material are the following: username: max, password: moritz.

You can find some troubleshooting, in case you have problems, on the Quantum Mobile FAQ page.

1.1. Start jupyter

Once connected to your virtual machine, to use AiiDA open a terminal and type

workon aiida

This will enable the virtual environment in which AiiDA is installed, allowing you to use AiiDA. Now, to start a jupyter notebook (you might need it later in the tutorial) type in the same shell:

jupyter notebook

This will run a server with a web application called jupyter, which is used to create interactive python notebooks. This will also open the default browser (in the VM) and allow you to use jupyter. Keep the browser open, so you can use jupyter later when needed.

Keep also the terminal open (just minimise the window). If you need to use the terminal, just open another one (right click on the terminal icon on the left bar, and choose “New terminal”).

1.2. Additional useful notes

Read through the next sections if you are interested in knowing how to download files into the virtual machine, how to troubleshoot typical problems, or how to get additional help.

1.2.1. Downloading files

Throughout this tutorial, you will encounter links to download python scripts, jupyter notebooks and more. These files should be downloaded to the environment/working directory you use to run the tutorial. In particular, when running the tutorial on a linux virtual machine, copy the link address and download the files to the machine using the wget utility on the terminal:

wget '<LINK>'

where you replace <LINK> with the actual HTTPS link that you copied from the tutorial text in your browser. This will download that file in your current directory.

1.2.2. Troubleshooting

  • If you get errors ImportError: No module named aiida or No command ’verdi’ found, double check that you have loaded the virtual environment with workon aiida before launching python, ipython or the jupyter notebook server.

1.2.3. Getting help

There are a number of helpful resources available to you for getting more information about AiiDA. Please consider: