Introductionary prace course: HPC fundamentals for end-users

February 1-4, 2022

Organized by:  NCSA Bulgaria and PetaSC/Sofia TechPark, BioExcel Centre of Excellence, STFC Daresbury Laboratory

Venue: Online via Zoom

Description: HPC Fundamentals for end-users is an introductory course on how to use Discoverer supercomputer, a EuroHPC petascale system capable of executing more than 4.2 Petaflops Rmax and over 6 petaFLOPS  Rpeak, by users with no prior exposure to supercomputing systems. This is the first training course in a series of two courses for beginner and intermediate HPC users that will allow them to master their skills, knowledge and confidence to work with supercomputing environments. The course will start with introduction to the Discoverer systems and computing architecture including storage subsystem and computer network infrastructure. During the four days training, there would be a number of hands-on exercises so that attendees will gain immediate experience on working in typical user environment by building and running state of the art parallel codes on Discoverer system. Practical sessions will cover examples from different research fields such as Life Sciences, Material Science and Multiphysics simulations. Sofia TechPark will graciously provide Discoverer compute resources for the hands-on sessions. The series of two courses is joint effort by NCSA Bulgaria and PetaSC/Sofia TechPark, BioExcel Centre of Excellence, STFC Daresbury Laboratory

Objective: The objective of the first course is to provide attendees with essential knowledge in modern petascale architectures and computing environments as well as the necessary fundamental skills and knowledge on how to harness the capacity and capability of supercomputing systems up to petascale level. 

What you will learn 

  • Understanding of modern HPC architectures with focus on Discoverer system
  • Navigating through typical HPC environment on Discoverer (terminal access and file transfer tools, usage of the module system)
  • Submitting jobs by utilizing batch queuing and scheduling system SLURM
  • Working with compilers and build tools available on Discoverer
  • Compiling and running parallel codes on GROMACS, CP2K, Alya, NAMD, DL_PLOY, and DL_MESO

Target audience: Under-graduate and graduate students, Ph.D. students, junior researchers (academy and industry), IT specialist, Software Engineers or anyone who wants to use Discoverer petascale supercomputer system in their research & business. 

Prerequisites: No prior knowledge and experience with computational methodologies and HPC is required. Attendees should have basic computer management skills and be able to work comfortably on the Unix/Linux command line, notion of compilers and build procedures. For those who would like to brush up on their Linux knowledge, we are going to organize a dedicated course “Practical Introduction to Linux” in January 13-14, 2022. Latter course is open only for registered attendees in “HPC Fundamentals for end-users” course. They can express interest in the refresh course by registering here

Selection process: There is a threshold number of participants (no more than 40 registrations), a timely registration is essential. Attendees must be from institutions (universities, research centers, and companies) based in the EU or Associated Countries to the Horizon 2020 Programme. We will prioritise attendees from South-East Europe, Israel, and Ukraine as well as participants that come from other EU13 countries.

Programme: A detail programme will be announced in early January 2022 on the course webpage. A short list of the software packages for hands-on sessions includes GROMACS, CP2K, Alya, NAMD, DL_PLOY, and DL_MESO. 

Cost: There is no registration fee. The course is free of charge.

Registration: Please click here.

Registration deadline: January 25, 2022. 

Organising committee leaders: Assoc. prof. Dr. Peicho Petkov (NCSA) and Prof. Dr. Simeon Stoyanov (PetaSC).