2025 Agenda | ATPESC

Sun, Jul 27

01:00pm

Registration Opens

2:00pm

Welcome and Introduction to ATPESC

Ray Loy ,

Argonne National Laboratory

Community Building

2:30pm

Quick Start on ATPESC Computing Resources

JaeHyuk Kwack ,

Argonne National Laboratory

4:30pm

Participant Introductions

Community Building

Networking

6:30pm

Dinner

Mon, Jul 28

8:30am

Aurora

Brice Videau ,

Argonne National Laboratory

9:05am

Frontier

John Holman ,

Oak Ridge National Laboratory

9:40am

Perlmutter/Doudna

Jack Deslippe ,

National Energy Research Scientific Computing Center

10:10am

Break

10:40am

El Captain

Judy Hill ,

Lawrence Livermore National Laboratory

11:15am

AI Accelerators

Murali Krishna Emani ,

Argonne National Laboratory

11:50am

Slingshot and Aurora

Vitali Morozov ,

Argonne National Laboratory

12:30pm

Lunch

1:30pm

Low Level Models

Thomas Applencourt ,

Argonne National Laboratory

Nathan Nichols ,

Argonne National Laboratory

3:30pm

Break

4:00pm

OpenMP

Tim Mattson ,

Human Learning Group

Session Description

-Introduction: Parallel Programming and the OpenMP Common Core

-Working with Threads (including synchronization): The SPMD Pattern

-Worksharing and Data Sharing: The Loop Parallelism Pattern

6:30pm

Dinner

7:30pm

Scaling Computational Fluid Dynamics to Exascale and Beyond

9:00pm

Adjourn

Tue, Jul 29

8:30am

OpenMP (continued) — Task-Level Parallelism in OpenMP: The Divide and Conquer Pattern

Tim Mattson ,

Human Learning Group

10am

Break

10:30am

OpenMP (continued) — Beyond the Common Core: More Worksharing and Synchronization

Tim Mattson ,

Human Learning Group

12:30pm

Lunch

1:30pm

OpenMP (continued) — Wrapping Up the CPU and Transitioning to GPU-programming

Tim Mattson ,

Human Learning Group

3:30pm

Break

4:00pm

OpenMP (continued) — Explicit Data Movement and Basic Principles of GPU Optimization

Tim Mattson ,

Human Learning Group

5:30pm

OpenMP (continued) — Detailed Control of the GPU and Comparisons to Other GPU Programming Models

Tim Mattson ,

Human Learning Group

6:30pm

Dinner

7:30pm

Accelerated Quantum Supercomputing

Yuri Alexeev ,

NVIDIA

9:00pm

Adjourn

Wed, Jul 30

8:30am

MPI — Introductions, MPI Fundamentals & Avoiding Unintended Synchronization

Ken Raffenetti ,

Argonne National Laboratory

10:00am

Break

10:30am

MPI — Collectives, Derived Datatypes & RMA

Mike Wilkins ,

Argonne National Laboratory

Yanfei Guo ,

Argonne National Laboratory

12:30pm

Lunch

1:30pm

MPI — Hybrid Programming with Threads and GPUs

Hui Zhou ,

Argonne National Laboratory

3:00pm

Break

3:45pm

MPI — Hybrid Programming and New Features in MPI

Hui Zhou ,

Argonne National Laboratory

6:30pm

Dinner

7:30pm

Networking

9:00pm

Adjourn

Thu, Jul 31

8:30am

SYCL

Thomas Applencourt ,

Argonne National Laboratory

Abhishek Bagusetty ,

Argonne National Laboratory

10:00am

Break

10:30am

SYCL (continued)

Thomas Applencourt ,

Argonne National Laboratory

Abhishek Bagusetty ,

Argonne National Laboratory

12:30pm

Lunch

1:30pm

Kokkos

Conrad Clevenger ,

Sandia National Laboratories

3:30pm

Break

4:00pm

Kokkos (continued)

Conrad Clevenger ,

Sandia National Laboratories

6:30pm

Dinner

7:30pm

Beyond Exascale Computing

Katherine Yelick ,

Lawrence Berkeley National Laboratory

9:00pm

Adjourn

Fri, Aug 1

8:30am

Welcome and Introduction to Machine Learning

Filippo Simini ,

Argonne National Laboratory

8:40am

Deep Learning

Bethany Lusch ,

Argonne National Laboratory

Khalid Hossain ,

Argonne National Laboratory

Session Description

Referenced GitHub: https://github.com/argonne-lcf/ATPESC_MachineLearning/tree/master/01novice_intro_to_deep_learning

Main Room

Introduction to Deep Learning

Breakout Room

Profiling Deep Learning

9:40am

Introduction to Large Language Models (LLMs)

Huihuo Zheng ,

Argonne National Laboratory

10:40am

Group Photo and Break

11:10am

Distributed Deep Learning

Nathan Nichols ,

Argonne National Laboratory

Kaushik Velusamy ,

Argonne National Laboratory

12:30pm

Lunch

1:30pm

Language Model Evaluation and Safety for Scientific Tasks

Sandeep Madireddy ,

Argonne National Laboratory

2:00pm

Al Testbed

Siddhisanket Raskar ,

Pacific Northwest National Laboratory

3:00pm

LLM inference

Siddhisanket Raskar ,

Pacific Northwest National Laboratory

3:50pm

Break

4:20pm

Training LLMs at Scale

Shilpika ,

Argonne National Laboratory

5:20pm

Workflow Management Tools to Couple Simulation and Al

Christine Simpson ,

Argonne National Laboratory

6:30pm

Adjourn (dinner on your own)

Sat, Aug 2

8:30am

Bus departs Q Center from Main Entrance

9:20am

Bus arrives at Argonne/Badge check

9:40am

Rotating Tour Stops

Session Description

Stops include:
– Theory and Computing Sciences Data Center
– ALCF Visualization Lab
– Nuclear Engineering Exhibit
– Advanced Photon Source

1:00pm

Lunch & Presentation: A Brief History of Nuclear at Argonne National Laboratory

Amanda Bachmann ,

Argonne National Laboratory

2:30pm

Bus departs Argonne to return to Q Center

3:30pm

Bus arrives at Q Center

Mon, Aug 4

8:30am

Welcome and Introduction to Data Analysis and Visualization

Joseph Insley ,

Argonne National Laboratory

Silvio Rizzi ,

Argonne National Laboratory

9:15am

Visualization and Analysis of HPC Simulation Data with VisIt

Cyrus Harrison ,

Lawrence Livermore National Laboratory

Justin Privitera ,

Lawrence Livermore National Laboratory

10:00am

Break

10:30am

Visualization and Analysis of HPC Simulation Data with VisIt (continued)

Cyrus Harrison ,

Lawrence Livermore National Laboratory

Justin Privitera ,

Lawrence Livermore National Laboratory

11:00am

Exploring Visualization with Jupyter Notebooks

David Koop ,

Northern Illinois University

11:40am

Large Scale Visualization with ParaView

Dan Lipsa ,

Kitware

12:30pm

Lunch

1:30pm

Large Scale Visualization with ParaView (continued)

Dan Lipsa ,

Kitware

2:00pm

Uncertainty Visualization

Mengjiao Han ,

Argonne National Laboratory

2:45pm

Ascent

Cyrus Harrison ,

Lawrence Livermore National Laboratory

Justin Privitera ,

Lawrence Livermore National Laboratory

3:30pm

Break

4:00pm

Trame

Patrick Avery ,

Kitware

4:45pm

AI/ML Visualization

Shilpika ,

Argonne National Laboratory

5:30pm

Hands-on Session

6:30pm

Dinner

7:30pm

Growing Up at Argonne National Laboratory

Jack Dongarra ,

University of Tennessee

9:00pm

Adjourn

Tue, Aug 5

8:30am

Introduction to Numerical Software

Ulrike Meier Yang ,

Lawrence Livermore National Laboratory

9:30am

Meshes

Andrew Myers ,

Lawrence Berkeley National Laboratory

Weiqun Zhang ,

Lawrence Berkeley National Laboratory

Mark Shephard ,

Rensselaer Polytechnic Institute

Cameron Smith ,

Rensselaer Polytechnic Institute

Mark Stowell ,

Lawrence Livermore National Laboratory

Main Room

Structured Meshes (with AMReX)

Breakout Room

Unstructured Meshes (with MFEM/PUMI)

10:45pm

Break

11:15am

Solvers

Daniel Osei-Kuffuor ,

Lawrence Livermore National Laboratory

Ulrike Meier Yang ,

Lawrence Livermore National Laboratory

Sherry Li ,

Lawrence Livermore National Laboratory

Yang Liu ,

Lawrence Berkeley National Laboratory

Main Room

Krylov Solvers & Algebraic Multigrid (with HYPRE)

Breakout Room

Direct Solvers (with SuperLU/STRUMPACK)

12:30pm

Lunch

1:30pm

Nonlinear Solvers and Time Integration

Richard Tran Mills ,

Argonne National Laboratory

David Gardner ,

Lawrence Livermore National Laboratory

Main Room

Nonlinear Solvers (with PETSc)

Breakout Room

Time Integration (with SUNDIALS)

2:45pm

Break

3:15pm

Optimization and Iterative Solvers

Toby Isaac ,

Argonne National Laboratory

Christian Glusa ,

Sandia National Laboratories

Graham Harper ,

Sandia National Laboratories

Main Room

Optimization (with TAO)

Breakout Room

Iterative Solvers & Algebraic Multigrid (with Trilinos, Belos & MueLu)

4:30pm

Extreme-Scale Numerical Algorithms and Software Panel

Toby Isaac ,

Argonne National Laboratory

Andrew Myers ,

Lawrence Berkeley National Laboratory

Ulrike Meier Yang ,

Lawrence Livermore National Laboratory

Panel

5:15pm

SME Speed Dating (Optional)/Unstructured Time

Networking

6:30pm

Dinner

7:30pm

Communication-Avoiding Algorithms for Linear Algebra, Machine Learning and Beyond

James Demmel ,

University of California at Berkeley

9:00pm

Adjourn

Wed, Aug 6

8:30am

Introduction to Tools

JaeHyuk Kwack ,

Argonne National Laboratory

Scott Parker ,

Argonne National Laboratory

8:35am

Linaro Tools

Rudy Shand ,

Linaro

10:20am

Break

10:45am

TAU

Sameer Shende ,

University of Oregon/ParaTools, Inc.

12:30pm

Lunch

1:30pm

HPCToolkit

John Mellor-Crummey ,

Rice University

3:15pm

Break

3:45pm

Roofline Performance Model

JaeHyuk Kwack ,

Argonne National Laboratory

5:30pm

Panel

Rudy Shand ,

Linaro

Sameer Shende ,

University of Oregon/ParaTools, Inc.

John Mellor-Crummey ,

Rice University

JaeHyuk Kwack ,

Argonne National Laboratory

Panel

6:30pm

Dinner

7:30pm

Networking Event

Networking

Thu, Aug 7

8:30am

Introduction to I/O

Philip Carns ,

Argonne National Laboratory

8:40am

Principles of HPC I/O

Philip Carns ,

Argonne National Laboratory

9:10am

Globus

Lev Gorenstein ,

Globus

10:00am

Break

10:30am

Introduction to Darshan

Philip Carns ,

Argonne National Laboratory

11:25am

DAOS

Kevin Harms ,

Argonne National Laboratory

12:30pm

Lunch

1:30pm

MPI-IO

Robert Latham ,

Argonne National Laboratory

2:00pm

Parallel-NetCDF

Robert Latham ,

Argonne National Laboratory

2:45pm

HDF5

Scot Breitenfeld ,

HDF Group

3:15pm

Break

3:45pm

HDF5 (continued)

Scot Breitenfeld ,

HDF Group

4:15pm

Understanding and Tuning Performance

Jean Luca Bez ,

Lawrence Berkeley National Laboratory

5:15pm

AI Workloads

Jean Luca Bez ,

Lawrence Berkeley National Laboratory

6:00pm

Discussion and Hands-on Preparation

6:30pm

Dinner

7:30pm

Conversation with the Argonne Leadership Computing Facility Director

Mike Papka ,

Argonne National Laboratory

9:00pm

Adjourn

Fri, Aug 8

8:30am

Introduction to Software Sustainability

David Bernholdt ,

Oak Ridge National Laboratory

9:15am

Design

Anshu Dubey ,

Argonne National Laboratory

10:00am

Break

10:30am

Spack

Todd Gamblin ,

Lawrence Livermore National Laboratory

12:30pm

Lunch

1:30pm

Testing

Anshu Dubey ,

Argonne National Laboratory

2:30pm

Refactoring

Anshu Dubey ,

Argonne National Laboratory

3:00pm

Break

3:30pm

Licensing

David Bernholdt ,

Oak Ridge National Laboratory

4:15pm

Reproducibility, Lab Notebooks

David Bernholdt ,

Oak Ridge National Laboratory

5:00pm

Final Exam

6:30pm