NERSCPowering Scientific Discovery for 50 Years

GPUs for Science Day, Oct. 12, 2023

October 12, 2023

GPUs have been instrumental in ground-breaking innovations, from scientific simulations to generative AI. This year, NERSC is proud to host the annual GPUs for Science event in person. Our goal is to celebrate recent GPU-enabled scientific achievements and inspire future roadmaps. The day will start with an introduction to three DOE compute facilities (NERSC, ALCF, and OLCF), followed by a series of talks on GPU-accelerated scientific applications and emerging software programming models. The day will wrap up with a panel of leading industry experts discussing their vision for upcoming GPU ecosystems.

With increasing diversity in GPU hardware and software, users interested in performance and portability across DOE supercomputers are highly encouraged to join. The event is also open to everyone interested in learning about the exciting science in action. 


  • Meeting type: In-person (with optional Zoom attendance)
  • Location: Lawrence Berkeley National Lab (Berkeley Lab), Bldg 59 (NERSC), Room 3101
  • Date: October 12, 2023 (Thursday)
  • Time: 8:30 a.m. - 5 p.m. (Pacific Daylight Time, UTC-7)
  • Recording available on YouTube


  • In-person attendee registration is now closed.
  • Online attendee (live stream) registration is closed.


Title Speakers Affiliation Time PDT (UTC-07)
Breakfast and Registration     8 a.m.
Opening Remarks Jack Deslippe  LBNL 8:45 a.m.
Session 1: Compute Facilities      9 a.m.
Perlmutter system at NERSC

Debbie Bard

Hannah Ross

LBNL 9:05 a.m.
The path to Aurora Jae Hyuk Kwack ANL 9:25 a.m.
Science from GPUs on the Frontier Exascale Supercomputer Balint Joo ORNL 9:45 a.m.
Break (10 mins)     10:05 a.m.
Session 2: Applications     10:15 a.m.
Harnessing GPUs for science: lessons from the Exascale Computing Project Erik Draeger LLNL 10:15 a.m.
Towards the Convergence of Data-Driven and Kinetic Models at Exascale Axel Huebl LBNL 10:35 a.m.
Global Cloud Resolving Modeling on Exascale Computers Mark Taylor Sandia 10:55 a.m.
ExaCA: exascale component-scale microstructure simulation Sam Reeve ORNL 11:15 a.m.
Exascale Flow Simulations for Energy Science Paul Fischer ANL 11:35 a.m.
Q&A Session over lunch (45 mins)     11:55 a.m.
Enhancing Science: Efficient Julia Workflows and GPU Use on Perlmutter with Jupyter Marius Millea UC Davis 12:40 p.m.
Accelerating Molecular Discovery and Design with AI: Insights from the Open Catalyst Project Brandon Wood Meta 1:00 p.m.
Then and Now: How GPUs Empower ECP Mathematical Libraries Sherry Li  LBNL 1:20 p.m.
AMReX and selected AMReX-based applications

Ann Almgren

Weiqun Zhang

LBNL 1:40 p.m.
Break (10 mins)     2 p.m.

Session 3: Programming Models

    2:10 p.m.

A Task Graph-based Programming System for CPU-GPU Heterogeneous Computing

Dian-lun Lin UW - Madison 2:10 p.m.
Stellar Mergers as a Benchmark: Performance of Octo-Tiger, HPX and Kokkos on Perlmutter Gregor Daiß

University of Stuttgart / LSU

2:30 p.m.

Evaluating the Performance of One-sided Communication on CPUs and GPUs

Nan Ding LBNL 2:50 p.m.
Break (20 mins)     3:10 p.m.
Session 4: Emerging Hardware and Software Ecosystems     3:30 p.m. 
NVIDIA's Accelerated Computing Ecosystem Scot Halverson NVIDIA 3:30 p.m.
Software & Hardware Co-design for Exascale Scientific Computing Michael Rowan AMD 3:45 p.m.
Future-Proofing Your Science: Programming GPUs (and More!) with Open Standards John Pennycook Intel 4 p.m.
Panel Discussion (30 min)     4:15 p.m.
Closing Remarks  Weile Wei LBNL  4:45 p.m.
Adjourn     4:55 p.m.

*Agenda subject to change

Visitor Information

Please refer to our visitor information page and an interactive map of the Berkeley Lab campus. An area map is shown below for quick reference.

Arial view of building 59 with routes marked.

Location of the meeting: Building 59/Shyh Wang Hall

Organizing Committee

Mukul Dave
Muhammad Haseeb

Dhruva Kulkarni
Weile Wei 

About Berkeley Lab

Lawrence Berkeley National Laboratory is a multidisciplinary national laboratory located in Berkeley, California, on a hillside directly above the campus of UC Berkeley. The site consists of 76 buildings located on 183 acres, which overlook both the campus and the San Francisco Bay.