Agenda 2023

 
 
[ Introductions | Track 1 | Track 2 | Track 3 | Track 4 | Tour | Track 5 | Track 6 | Track 7 | Track 8 ]
[ MACHINE RESERVATIONS ]
 
ALL TIMES ARE U.S. CENTRAL DAYLIGHT TIME (UTC-5) 
 
 
SUNDAY, July 30, 2023
           
1:00PM Registration opens.        
2:00PM Welcome and Introduction to ATPESC Ray Loy, ANL      
2:30PM Quick Start on ATPESC Computing Resources JaeHyuk Kwack, ANL      
3:15PM Break All      
3:45PM Hands-on All      
4:30PM Participant Introductions All      
6:30PM Adjourn/Dinner        
 
MONDAY, July 31, 2023
           
 

Track 1 – Hardware Architectures

        
8:30AM Overview Vitali Morozov, ANL      
8:35AM Frontier Exascale Architecture – AMD MI250x and HPE Slingshot Tom Papatheodore, ORNL      
9:10AM Aurora Exascale Architecture – Intel Data Center GPU Max Series, DAOS and HPE Slingshot Servesh Muralidharan, ALCF      
9:50AM NVIDIA H100 and Grace Hopper Architecture Giri Chukkapalli, NVIDIA      
10:30AM Break        
11:00AM Advancing Scientific Machine Learning with AI Accelerators in ALCF AI Testbed Murali Emani, ALCF      
11:45AM Introduction on DataFlow Architectures and Trends Jose Monsalve Diaz, ALCF
Sid Raskar, ALCF		      
12:30PM Lunch        
1:30PM The Next Hardware Revolution is Software Kelly Marquardt, Next Silicon      
2:00PM Quantum Computing Trends Yuri Alexeev, ANL      
2:30PM Q&A All presenters      
3:00PM Break        
 

Track 2 – Programming Models and Languages

Part A: GPUs

        
3:30PM Low-level GPU Programming Models Thomas Applencourt, ANL      
6:30PM Dinner        
7:30PM After-dinner talk: Conversation with the Argonne Leadership Computing Facility Director Mike Papka, ANL/UIC      
8:30PM Adjourn        
           
 
TUESDAY, August 1, 2023
           
 

Track 2 – Programming Models and Languages

Part B: OpenMP

Click here for full slide deck.

        
8:30AM Introduction to Parallel programming and the OpenMP Common Core Tim Mattson, Intel      
9:00AM Working with threads: the SPMD Pattern Tim Mattson, Intel      
10:00AM Break        
10:30AM Worksharing: The Loop Parallelism Pattern Tim Mattson, Intel      
11:30AM Working with OpenMP: Data sharing and synchronization Tim Mattson, Intel      
12:30PM Lunch        
1:30PM Task-level parallelism in OpenMP:  The Divide and Conquer Pattern Tim Mattson, Intel      
2:30PM Beyond the common core: Revisiting worksharing and synchronization Tim Mattson, Intel      
3:30PM Break        
4:00PM Beyond the common core: memory models, NUMA, and other advanced topics Tim Mattson, Intel      
5:00PM Programming your GPU with OpenMP:  A brief Introduction Tim Mattson, Intel      
6:00PM Wrap-up Discussion        
6:30PM Dinner        
7:30PM After-dinner talk: Efficient Computation through Tuned Approximation David Keyes, KAUST      
8:30PM Adjourn        
 
WEDNESDAY, August 2, 2023
           
 

Track 2 – Programming Models and Languages

Part C: MPI

Click here for full slide deck.

        
8:30AM Introduction, Unintended Synchronization, Collectives and Nonblocking Collectives, Hands-on Yanfei Guo, ANL
Ken Raffenetti, ANL		      
10:00AM Break        
10:30AM Derived Datatypes, Introduction to RMA, Hands-on Ken Raffenetti, ANL
Hui Zhou, ANL		      
12:30PM Lunch
        
1:30PM RMA continued, Introduction to Hybrid Programming, Hands-on Hui Zhou, ANL
Yanfei Guo, ANL		      
3:00PM Group photo
        
3:10PM Break
        
3:30PM Hybrid Programming with Threads and GPUs, What’s new in MPI-4, Hands-on Yanfei Guo, ANL      
5:00PM Continue hands-on        
6:30PM Dinner        
7:30PM After-dinner talk: Foundation models, Exascale Simulations, and Autonomous Discovery: Enabling Biological Systems Design at Scale Arvind Ramanathan, ANL      
8:30PM Adjourn        
 
THURSDAY, August 3, 2023
           
 

Track 2 – Programming Models and Languages

Part D: SYCL and Kokkos

        
8:30AM Introduction Thomas Applencourt, ANL      
8:35AM SYCL Abhishek Bagusetty, ANL      
10:10AM Break        
10:30AM SYCL (continued) Abhishek Bagusetty, ANL      
12:30PM Lunch        
1:30PM Kokkos Daniel Arndt, ORNL      
3:30PM Break        
4:00PM Kokkos (continued) Daniel Arndt, ORNL      
5:30PM Open discussion        
6:30PM Dinner        
7:30PM After-dinner talk: Understanding and Controlling Fluid Flows Using Data, Physics, and Machine Learning Scott Dawson, IIT      
 
FRIDAY, August 4, 2023
           
  Track 3 – Software Productivity and Sustainability        
8:30AM Introduction David E. Bernholdt, ORNL      
8:35AM Motivation and Overview of Best Practices in HPC Software Development David E. Bernholdt, ORNL      
9:15AM Scientific Software Design Anshu Dubey, ANL      
10:00AM Break        
10:30AM Spack: Package Management for HPC Greg Becker, LLNL      
11:30AM Spack: Hands-On Greg Becker, LLNL      
12:30PM Lunch        
1:30PM Software Testing and Verification Anshu Dubey, ANL      
2:30PM Refactoring Scientific Software Anshu Dubey, ANL      
3:00PM Break        
3:30PM Lab Notebooks for Computational Mathematics, Sciences, & Engineering Jared O’Neal, ANL      
4:30PM Managing Computational Experiments Anshu Dubey, ANL      
4:45PM Improving Reproducibility Through Better Software Practices David E. Bernholdt, ORNL      
5:45PM Summary David E. Bernholdt, ORNL      
6:00PM Q&A, including your software experiences and challenges All      
6:30PM Adjourn        
 
SATURDAY, August 5, 2023
           

8:30AM

Argonne Tour  – Bus departs Q Center from main entrance

Rotating Tour Stops:

  • Theory and Computing Sciences Data Center
  • ALCF Visualization Lab
  • Nuclear Engineering Exhibit
  • Advanced Photon Source
        
1:00PM Lunch talk: A Brief History of ALCF Ray Loy, ANL      
1:30PM Bus departs ANL to return to Q Center.  Also stops at:
 		       
           
MONDAY, August 7, 2023
           
  Track 4 – Data Analysis and Visualization        
8:30AM Data Analysis and Visualization Introduction Joseph Insley, ANL/NIU
Silvio Rizzi, ANL
Viktor Mateevitsi, ANL		      
9:15AM Scalable Molecular Visualization and Analysis Tools in VMD Alex Bryer, UD      
10:00AM Break        
10:30AM Large Scale Visualization with ParaView Dan Lipsa, Kitware      
12:00PM Visualization and Analysis of HPC Simulation Data with VisIt Cyrus Harrison, LLNL      
12:30PM Lunch        
1:30PM Visualization and Analysis of HPC Simulation Data with VisIt (Continued) Cyrus Harrison, LLNL      
2:30PM Vapor Scott Pearse, NCAR      
3:30PM Break        
4:00PM Exploring Visualization with Jupyter Notebooks, Part 1 David Koop, NIU      
4:45PM Exploring Visualization with Jupyter Notebooks, Part 2 Cyrus Harrison, LLNL      
5:30PM Hands-on        
6:30PM Dinner        
7:30PM After-dinner talk: Growing up at Argonne National Lab Jack Dongarra, UT      
 
TUESDAY, August 8, 2023
           
 

Track 5 – Numerical Algorithms and Software for Extreme-Scale Science

        
8:30AM Introduction to Numerical Software Ulrike Yang, LLNL      
9:30AM Parallel Session 1        
 
  • Main Room: Structured Meshes (with AMReX)
 Ann Almgren, LBNL
Andrew Myers, LBNL		      
 

Tzanio Kolev, LLNL
Mark Shephard, RPI
Cameron Smith, RPI

      
10:45AM

Break.  Subject Matter Expert (SME) selections, Panel Questions

        
11:15AM Parallel Session 2        
 

Sarah Osborn, LLNL
Ulrike Yang, LLNL

      
 

Sherry Li, LBL
Pieter Ghysels, LBL

      
12:30PM Lunch.  Subject Matter Expert (SME) selections
Panel Questions		        
1:30PM Parallel Session 3        
  Richard Tran Mills, ANL      
  David Gardner, LLNL      
2:45PM Break: SME Selections
Panel Questions Due		        
3:15PM Parallel Session 4        
  Tobin Isaac, ANL      
  Christian Glusa, SNL
Graham Harper, SNL		      
4:30PM Wrap-up Ann Almgren, LBNL      
4:45PM Panel Discussion: Extreme-Scale Numerical Algorithms and Software Ann Almgren (moderator), LBNL
Graham Harper, SNL
Tobin Isaac, ANL
Sherry Li, LBL
Andrew Myers, LBNL		      
5:30PM Unstructured time: SME selections due, break, informal discussion, continued hands-on        
6:30PM Dinner        
7:30PM Optional Activity: SME speed-dating        
 
WEDNESDAY, August 9, 2023
           
  Track 6 – Performance Tools and Debuggers        
8:30AM Introduction of Tools Track JaeHyuk Kwack, ANL
Scott Parker, ANL		      
8:40AM NVIDIA Kris Keipert, NVIDIA      
9:20AM Intel Xiao Zhu, Intel      
10:00AM Break        
10:30AM AMD Suyash Tandon, AMD      
11:10AM Parallel Sessions:        
 
  • Main room: Hands-on (Intel, AMD)
 Xiao Zhu, Intel
Suyash Tandon, AMD		      
 
  • Breakout room: Hands-on (NVIDIA)
 Kris Keipert, NVIDIA      
12:30PM Lunch        
1:30PM Linaro Tools Rudy Shand, Linaro      
2:10PM TotalView Bill Burns, Perforce Software      
2:50PM Parallel Sessions:        
 
  • Main room: Hands-on (TotalView)
 Bill Burns, Perforce Software      
 
  • Breakout room: Hands-on (Linaro Tools)
 Rudy Shand, Linaro      
3:50PM Break        
4:10PM HPCToolkit John Mellor-Crummey, Rice U.      
4:50PM Tau Sameer Shende, Paratools/U Oregon      
5:30PM Parallel Sessions:        
 
  • Main room: Hands-on (Tau)
 Sameer Shende, Paratools/U Oregon      
 
  • Breakout room: Hands-on (HPCToolkit)
 John Mellor-Crummey, Rice U.      
6:30PM Dinner        
7:30PM After-dinner talk: 50 Years of Supercomputing – A Perspective David Barkai      
8:30PM Hands-on (NVIDIA, Intel, AMD, Linaro, TotalView, HPCToolkit, Tau) Xiao Zhu, Intel
Suyash Tandon, AMD
Rudy Shand, Linaro
Bill Burns, Perforce Software
John Mellor-Crummey, Rice U.
Sameer Shende, Paratools/U Oregon		      
9:30PM Adjourn        
           
 
THURSDAY, August 10, 2023
           
  Track 7 – I/O        
8:30AM Welcome and Introduction Phil Carns, ANL      
8:40AM Principles of HPC I/O Phil Carns, ANL      
9:10AM Survey of HPC storage systems Mike Brim, ORNL      
10:00AM Break        
10:30AM Deep dive: example HPC storage system Mike Brim, ORNL      
11:00AM Darshan introduction Shane Snyder, ANL      
11:30AM Globus Greg Nawrocki, U Chicago      
12:30PM Lunch        
1:30PM MPI-IO Rob Latham, ANL      
2:00PM Parallel-NetCDF Rob Latham, ANL      
2:45PM HDF5 part 1 Scot Breitenfeld, THG      
3:15PM Break        
3:45PM HDF5 part 2 Scot Breitenfeld, THG      
4:15PM Understanding and tuning performance Shane Snyder, ANL      
5:15PM Discussion and hands-on prep        
5:30PM Hands-on session        
6:30PM Dinner        
7:30PM After-dinner talk: Communication-Avoiding Algorithms for Linear Algebra, Machine Learning and Beyond Jim Demmel, UC Berkeley      
8:15PM Resume hands-on session (optional)        
9:30PM Adjourn        
 
FRIDAY, August 11, 2023
           
 

Track 8 – Machine Learning

        
8:30AM Intro: Overview of machine learning for science (talk) Bethany Lusch, ANL      
9:00AM Transition time: splitting into groups (people new to deep learning vs. more experienced)        
9:15AM Parallel Session, Part 1 (talk/hands on)        
 
  • Main room: Introduction to deep learning
 Marieme Ngom, ANL      
 
  • Breakout room: Building data pipelines for deep learning
 Taylor Childers, ANL      
10:15AM Break        
10:45AM Parallel Session, Part 2 (talk/hands on)        
 
  • Main room: Introduction to convolutional neural networks
 Varuni Sastry, ANL      
 
  • Breakout room: Profiling deep learning
 Taylor Childers, ANL
Corey Adams, ANL		      
11:50AM Transition time: back to main room        
12:00PM Research talk: AI Ethics and Responsible Data Science for Scientists Savannah Thais, Columbia University      
12:30PM Lunch        
1:30PM Research talk: Transfer and Multi-Task Learning in Physics-Based Applications with Deep Neural Operators Somdatta Goswami, Brown U      
2:00PM Distributed Deep Learning (talk/hands on) Huihuo Zheng, ANL      
3:00PM Break        
3:30PM AI Testbed (talk/hands on) Sid Raskar, ALCF      
5:00PM Close out/Exam Ray Loy, ANL      
6:00PM Adjourn