README.md

HPC track - NOMAD Paphos School October 2023

Material for HPC track in NOMAD Center of Excellence school "Towards exascale solutions in Green function methods and advanced DFT"

Lecture slides (3.2 MB pdf)

Hands-on exercises

• General LUMI instructions

Wed: Exercises by Erwin Laure/Markus Rampp

• MPCDF Repository

Sat: Exercises by Jussi Enkovaara

• Running with GPUs
• Single GPU performance aspects
• Multiple GPU performance aspects
• GPU profiling with rocprof
• Matrix multiplication with GPUs

Bonus exercises

Following topics are already covered in large extent by Erwin/Markus but feel free to carry them out for further insight

• Process and thread affinity
• Scalability testing