This lecture presents an introduction to an end-to-end scientific computing workflow utilising Docker containers.In the first part, attendees learn about the fundamentals of containerisation and the advantages it brings to scientific software. Participants then familiarise with Docker technologies and tools, discovering how to manage and run containers on personal computers, and how to build applications of increasing complexity into portable container images. Particular emphasis is given to software resources which enable highly-efficient scientific applications, like MPI libraries and the CUDA Toolkit.The second part proposes hands-on exercises that revisit and expand upon the examples provided in the first part.The last part of the lecture focuses on deploying Docker images on high-end computing systems, using a container engine capable of leveraging the performance and scalability of such machines, while maintaining a consistent user experience with Docker.This lecture is based on material produced in the context of the ESiWACE European Center of Excellence (CoE) and presented during the "ESiWACE Summer School on Effective HPC for Climate and Weather" in 2020 and 2021.Contact: alberto.madonna@cscs.ch
- Subject:
- Computer Science
- Material Type:
- Homework/Assignment
- Lecture
- Author:
- Alberto Madonna
- Date Added:
- 10/13/2021