5. Using Python on Gadi

Overview

Tutorial: 10 min

Objectives: Understand how to build a Python virtual environment on Gadi.

To run Python programs on Gadi, we recommend using the Python module and virtual environments to manage dependencies.

A Python virtual environment is an isolated workspace that allows you to manage project-specific dependencies without affecting the global Python installation or other projects. By creating a virtual environment, you can install and manage libraries and packages independently, ensuring that each project has its own set of dependencies and avoiding version conflicts. This isolation helps maintain consistent and reproducible development environments.

The following commands will guide you on how to create one if necessary.

5.1. Create a Python Virtual Environment on Gadi

To get started with Python virtual environment load the Python module you want to use.

module load python3/3.11.0

Create the Python virtual environment.

python3 -m venv my_env

Activate the Python virtual environment.

source my_env/bin/activate

Install all the required Python packages.

python3 -m pip install python-papi numpy codetiming numba mpi4py

You can deactivate the virtual environment once you are done with it.

deactivate