13
Jan 2025
14
Jan 2025
The University of Manchester will be hosting the final PAX-HPC project meeting/workshop in room 3A.012 (Core 1, Floor 3) of the Nancy Rothwell Building which is a 10-15 minute walk from the main train stations of Manchester Piccadilly or Oxford Road. Those interested in attending should contact Phil Hasnip () or Ben Rogers ().
Agenda
DAY 1: Achievements of PAX-HPC
| Time | Activity | Presenter |
| 14:00 – 14:15 | Welcome to Manchester | Benedict D. Rogers |
| 14:15 – 15:15 | Achievements of PAX-HPC 1: (1) Accelerating SWIFT’s Task-based parallelism with GPUs: How close are we to exascale? (2) SWIFT 2: Towards Exascale SPH with Task Parallelism and the Peano4 Framework Engine (3) Complex multiscale workflows and parallel I/O | Abouzied Nasar Mladen Ivkovic Rajany Kv |
| 15:15 –15:35 | Tea & Coffee break | |
| 15:35 – 16:35 | Achievements of PAX-HPC 2: (1) A new hybrid engine for electron repulsion integrals in CP2K (2) Unbiased Monte Carlo Simulations of Li Battery Cathode Materials (3) Quantifying Uncertainty in DFT-Driven Structure Prediction | Sergey Chulkov Scott Woodley Alexey Sokol |
| 16:35 –16:45 | Comfort break | |
| 16:45 – 17:45 | Guest Speakers: A look forward in HPC with AMD Planning and co-design process for the next generation of DiRAC service | Maggie Anderson/Rowan Pavlovic Mark I. Wilkinson |
| 18:30 – 21:00 | Evening Meal at Christie’s |
DAY 2: PAX-HPC Status Quo & Future Challenges
| Time | Activity | Presenter |
| 9:00 – 9:30 | Invited Keynote Lecture: Breaking the Million-Electron and 1 EFLOP/s Barriers Winner of the 2024 Gordon Bell Prize | Prof. Giuseppe Barca (University of Melbourne) |
| 9:30 – 11:00 | Achievements of PAX-HPC 3 (cont): (1) Acceleration of Electronic Structure Codes on Heterogeneous Hardware (2) CASINO and ONETEP GPU port updates. Fun and games with FORTRAN and OpenACC (3) Accelerating CASTEP and GPUs | Marcello Puligheddu Ben Thorpe Matt Smith |
| 11:00 – 11:30 | Coffee & Tea break | |
| 11:30 – 12:30 | Guest Speaker: Energy Efficient Computing Through Mixed-Precision Algorithms and Floating-Point Emulation Training: “What’s next for our exascale developments?” (5 mins summary & 10 minutes on future needs and involvement) Knowledge Transfer: Where next? | Filippo Spiga (NVIDIA) Xu Guo Phil Hasnip |
| 12:30 – 13:30 | Lunch | |
| 13:30 – 15:00 | PAX-HPC Discussion: Outcomes, Lessons Learnt and Future Needs | Chair: Benedict Rogers |
| 15:00 | Finish |