22 March 2021
MaX Workshop at the EuroHPC Summit Week 2021
At the beginning of March 2020, the MaX team was ready to buy the tickets and fly to Porto to attend the EuroHPC Summit Week (EHPCSW) 2020 where it was expected to present and chair a workshop. But it soon became clear that the pandemic was going to change our lives, and this was the first event to be cancelled from MaX’s agenda in the Covid era.
After twelve months of adaptation to new ways of doing science and networking, MaX will participate in the digital edition of the EHPCSW21, together with the main European HPC stakeholders. The event, organized by PRACE and ET4HPC from 22nd to 26th of March, will gather the major technology suppliers, the most important HPC facilities, and many HPC users from industry and academia (full programme here).
MaX will contribute to the wide EHPCSW21 programme with a one-hour workshop dedicated to “Computational Materials Design at the Exascale: porting community codes, challenges and success cases”. Key personalities in the field of materials modelling - such as Nicola Marzari, Stefano Baroni, Pablo Ordejon, and Joost VandeVondele - will discuss the performance and portability of the MaX flagship codes. The speakers will present scientific success cases enabled by the performance advancement of MaX codes and unravel high throughput computing strategies for materials discovery, new avenues from data analytics/artificial intelligence in materials science, trends in high-performance computing and in codesign towards exascale and energy efficiency routes in HPC systems.
MaX CoE Workshop: Computational Materials Design at the Exascale: porting community codes, challenges and success cases
The videos are available on our Youtube channel: have a look to the playlist!
When: March, Wednesday 24th, 3-4PM.
Where: online in EHPCSW2021, registration are open here
Who: see the agenda below. Please note: the speakers’ talks are pre-recorded, while the Q&A session will be live.
- Andrea Ferretti (CNR Nano): Welcome (download the presentation)
- Nicola Marzari (EPFL): Materials design at the intersection of high-throughput and high-performance-computing (download the presentation)
- Stefano Baroni (SISSA): Challenges and success towards the exascale: the perspective of Quantum ESPRESSO, a large community code (download the presentation)
- Joost VandeVondele (ETHZ): Software engineering towards exascale: domain specific libraries, communication optimality, and machine learning (download the presentation)
- Daniele Varsano (CNR Nano): Accelerating GW and many-body perturbation theory using GPUs: yambo hunting for excitonic insulators (download the presentation)
- Uliana Alekseeva (FZ Juelich): Parallelization and optimization of the FLEUR code: new possibilities for all-electron Density Functional Theory (download the presentation)
- Pablo Ordejón (ICN2): HPC-enabled very large scale quantum simulations in materials with SIESTA (download the presentation)
- Live Q&A
The recording of the complete session (with the Q&A slot) is available @EHPCSW21 dedicated webpage.
One more session involving MaX representative (Elisa Molinari and Joost VandeVondele) is "Applications Support in EuroHPC - Status and Future: Centres of Excellence in Context", the Panel Discussion inside the "CoEs on the road to Exascale Session" - March 23 from 3 to 4 pm. More info at this link