This course introduces the interested participant to Python from an HPC viewpoint, the most practical tools, and various indispensable libraries for HPC use cases. After completion of this two-day course, participants are prepared to effectively develop their own Python libraries or integrate Python into existing projects.

Agenda (tentative):

1st day - Dec 6, 2022

08:45   Join online
09:00   Welcome & Motivation
09:20   Advanced Python (Collections, OOP, FP)
10:15   Break
10:25   Tooling (Testing, Debugging, Documentation, Logging)
11:05   Break
11:15   Plotting with Matplotlib
11:50   Performance (Timing, Profiling)
12:30   Lunch break
13:30   Bindings (CFFI, Boost.Python, f2py)
14:30   Break
14:40   Compiled Python (Cython, Numba)
15:40   Break
15:50   Development (Environment, Packages, IDEs, Containers)
16:10   Q & A
17:00   End

2nd day - Dec 7, 2022

08:45   Join online
09:00   NumPy (Array creation & access, Array manipulation, Types, Broadcasting, Universal functions)
10:00   Break
10:10   SciPy (Overview, Subpackages, Examples)
10:45   Break
10:55   MPI4Py
12:30   Lunch break
13:30   Pandas
14:30   Break
14:40   Dask/cuDF
16:00   Q & A
17:00   End

Content (tentative):

Development

- Package & environment management
- Development environments
- Containerization

Tooling

- Debugging & testing
- Timing & profiling
- Documentation, logging, and call graphs

Python bindings

- Binding to C and C++ with CFFI
- Binding to Fortran with f2py
- Compiled Python with Cython & Numba

Packages (HPC & data science)

- Pretty plots per matplotlib
- Fast array manipulation with NumPy
- Scientific computation with SciPy
- Distributed computing with MPI4Py
- Data science with Pandas & Dask & cuDF

Prerequisites:

The participants are expected to have at least basic programming skills in Python and the ability to use the Linux command line interface, for example bash.

Hands-on Labs:

All participants will get a temporary training user on the VSC for the course. You will use your own laptop or workstation to connect to VSC to do the hands-on exercises.

It is possible to do the hands-on labs on your local system, you'll need a local installation of Python 3 and the packages mentioned above.

Accepted participants will be contacted a few days before the course and asked to do a short PRE-ASSIGNMENT that has to be completed before the course starts.

Lecturers:

David Fischak and Simeon Harrison (EuroCC Austria and VSC Research Center, TU Wien), Katrin Muck (VSC Research Center, TU Wien)

Language:

Presentations will be in English, support during the hands-on sessions is available both in English or German.

Prices and Eligibility:

This course is offered free of charge via Opens external link in new windowEuroCC Austria and it is open for participants from academia and industry from the Member States (MS) of the European Union (EU) and Associated/Other Countries to the Horizon 2020 programme.

Course Material:

Lectures and hands-on labs will be done directly on the VSC Jupyterhub and the Jupyter Notebooks will be visible after login with the trainee user provided. We'll explain how to access the VSC Jupyterhub in the morning of the first day and we will show a link to download the Jupyter Notebooks in case you prefer to do the hands-on labs on your local system.