Courses are designed to provide participants with the essential foundational knowledge required for the advanced course: “A Beginner’s Guide to GROMACS and Best Practices on the Supek Supercomputer.”

Part 1: Introductory course on Linux command line interface

We will begin with an introduction to the Linux operating system. Participants will become familiar with the terminal and master the essential commands needed to navigate the file system and manage files effectively. Furthermore, attendees will learn how to generate SSH keys for system access and configure an FTP client for reliable data transfer.

Part 2: Introductory course on using the Supek supercomputer

The second part of the workshop focuses on the practical aspects of working on the Supek supercomputer. Key topics include:

Creating and customizing PBS scripts
Environment configuration: Loading necessary application modules
Resource optimization: Strategically requesting hardware resources to run parallel applications efficiently