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
orNo command ’verdi’ found
, double check that you have loaded the virtual environment withworkon aiida
before launchingpython
,ipython
or thejupyter
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:
consulting the extensive AiiDA documentation
opening a new issue on the tutorial issue tracker
asking your neighbor
asking a tutor.