Deep dive into containerizing scientific apps.

XSEDE, updated 🕥 2022-12-31 03:21:56

XSEDE Container Tutorial: Deep Dive into Constructing Containers for Scientific Computing and Gateways

The XSEDE Container Tutorial is presented by the XSEDE Cyberinfrastructure Resource Integration (XCRI) team. This repository contains a collection of slides, exercises, and files for the Container Tutorial presented at various conferences and other venues. Below is an abstract of what the Tutorial covers. A directory exists for most events we have presented at with slides and exercises. Some descriptions of how we have structured the tutorial at each event are included in the corresponding READMEs. With each presentation, we have taken feedback and followed industry trends to improve the tutorial.

Upcoming Accepted Presentations

XSEDE has ended, and thus this repository is primarily archival.

Previously Presented At

  • PEARC22 - In-person, July 10, full-day
  • SC21 - In-person, November 15 2021, 8am - 5pm CST (Full-day)
  • eScience 2021 - Virtual, full-day, Video
  • PEARC21 - Virtual, full-day
  • CaRCC Researcher-Facing Track Call, Feb 2021 - Virtual, abbridged version, Video
  • Gateways 2020 - Virtual, 2 half-day sessions
  • PEARC20 - Virtual, half-day
  • SGCI Coding Institute 2020 and 2021 - Virtual, half-day


In recent years, using containers has been rapidly gaining traction as a solution to lower the barriers to using more software on HPC and cloud resources. However, significant barriers still exist to actually doing this in practice, particularly for well-established community codes which expect to run on a particular operating system version or resource. Additional barriers exist for researchers unfamiliar with containerization technologies. While many beginner tutorials are available for building containers, they often stop short of covering the complexities that can arise when containerizing scientific computing software. The goal of this full-day tutorial is to demonstrate and work through building and running non-trivial containers with users. We will containerize community scientific software, exhibit how to share with a larger community via a container registry, and then run on a completely separate HPC resource, with and without the use of a Science Gateway. The subject matter will be approachable for intermediate to advanced users, and is expected to be of interest to a diverse audience including researchers, support staff, and teams building science gateways.



If you have Questions, please contact us via [email protected] with XCRI in the subject line.