Running Python on the Cluster

Python is a high-level, interpreted, general-purpose programming language.

Review of Python Fundamentals

Python’s ease of use and rich ecosystem make it an essential tool in HPC workflows.

Using Python in a SysAdmin Environment

Python is used instead of Bash if a program requires more complexity than Bash can handle. According to the Google shell style guide, you should use Python over Bash if:

  • You are writing a script that is more than a 100 lines long.

  • The control flow logic isn’t straight forward.

  • The script will grow in complexity in the future.

  • The script will need regular maintenance.

Python as a Script

To make an executable Python script, make sure, like any Bash script, you start your python file with a shebang. This allows you to rename your file and move it to /usr/local/bin to run it as a command.

Shebang

Use #!/usr/bin/env python3 instead of #!/bin/python3.

  • The former searches that user’s PATH to find the python3 binary.

  • The latter assumes it is always installed to /bin/ which can cause issues.

# Right:
	#!/usr/bin/env python3

# Less right:
	#!/bin/python3

Resources