HPC 2022

 

High Performance Computing

 

State of the Art, Emerging Disruptive Innovations and Future Scenarios

 

An International Advanced Workshop

 

 

 

July 4 – 8, 2022, Cetraro, Italy

 

 

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Programme Committee

Organizers

Sponsors &

Media Partners

Speakers

Agenda

Chairpersons

Panels

Abstracts

 

 

Final Programme

 

Programme Committee

L. GRANDINETTI (Chair)

University of Calabria

P. MESSINA (Co-Chair)

Argonne National Laboratory

G. ALOISIO

University of Salento

K. AMUNTS

Juelich Supercomputing Centre

F. BAETKE

European Open File System Organization

P. BECKMAN

Argonne National Lab.

R. BISWAS

NASA Ames Research Center

C. CATLETT

University of Illinois System

J. DONGARRA

University of Tennessee

S. S. DOSANJH

Lawrence Berkeley National Lab.

I. FOSTER

Argonne National Laboratory

G. FOX

Indiana University

W. GENTZSCH

The UberCloud

H. KOBAYASHI

Tohoku University

T. LIPPERT

Juelich Supercomputing Centre

S. MATSUOKA

Tokyo Institute of Technology

M. PARASHAR

Rutgers University

V. PASCUCCI

University of Utah and Pacific Northwest National Lab.

T. STERLING

Indiana University

R. STEVENS

Argonne National Laboratory

W. TANG

Princeton University

M. TROYER

Microsoft Research

ITALY

 

U.S.A.

 

ITALY

 

GERMANY

 

GERMANY

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

GERMANY

 

JAPAN

 

GERMANY

 

JAPAN

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

U.S.A.

 

Organizing Committee

 

L. GRANDINETTI (Chair)

ITALY

M. ALBAALI

(OMAN)

J. DONGARRA

(U.S.A.)

W. GENTZSCH

(GERMANY)

P. BECKMAN

(U.S.A.)

P. MESSINA

(U.S.A.)

R. STEVENS

(U.S.A.)

 

 

 

Sponsors

 

AMAZON WEB SERVICES

logo_amazon

CEREBRAS

COLDQUANTA

CSC Finnish Supercomputing Center

CSCS

Swiss National Supercomputing Centre

DELL

E4 Computer Engineering

EOFS

Hewlett Packard Enterprise

IBM

INTEL

logo_intel

Juelich Supercomputing Center, Germany

logo_fzj

LENOVO

NEXT SILICON

NORTHWESTERN UNIVERSITY

NVIDIA

PARTEC

PSIQUANTUM

SAMBANOVA SYSTEMS

SAMSUNG

University of Calabria

Department of Computer Engineering, Electronics, and Systems

dimes-marchio-01

 

 

 

Media Partners

 

 

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https://insidehpc.com/about/

THE News Analysis Site for HPC Insiders: We’re all about HPC, but like the emerging HPC ecosystem, insideHPC is evolving with a number of important updates and topic focus areas coming later in 2022.

To better serve our growing readership and advertising base, insideHPC will deliver an updated format and featured spotlight coverage of the emerging markets of enterprise HPC, HPC-AI, exascale (and post-exascale) supercomputing, quantum computing, cloud HPC, edge computing and High Performance Data Analytics.  Our mission is to cover every aspect of HPC.

Written and edited by seasoned HPC journalists, insideHPC represents the many voices of the global HPC community: where HPC is today and where it’s going.

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Please follow insidehpc.com on LinkedIn, Twitter and Facebook!

 

 

 

 

 

ubercloud

 

UberCloud provides Cloud With One Click – a fully automated, secure, on-demand, browser-based and self-service Engineering Simulation Platform

for engineers and scientists to build, compute, and analyze their engineering simulations. Our unique HPC software containers facilitate software packaging and portability, simplify access and use of any public, privale, hybrid, and multi-cloud resources, and ease software maintenance and support for end-users, IT teams, and their cloud service providers.

 

Please follow UberCloud on LinkedIn and contact us for performing a Proof of Concept in the Cloud.

 

 

 

 

 

 

Speakers

 

JAMES AHRENS

Los Alamos National Laboratory

Information Science and Technology Institute

Los Alamos, NM

U.S.A.

 

ILKAY ALTINTAS

San Diego Supercomputer Center

and

Workflows for Data Science (WorDS) Center of Excellence

and

WIFIRE Lab

University of California at San Diego, CA

U.S.A.

 

FRANK BAETKE

EOFS

European Open File System Organization

GERMANY

 

PETE BECKMAN

US DOE Argonne National Laboratory

and

University of Chicago

and

Northwestern University / Argonne National Lab. Institute for Science and Engineering

U.S.A.

 

KEREN BERGMAN

Electrical Engineering Department

and

Lightwave Research Laboratory

Columbia University, New York

U.S.A.

 

BRENDAN BOUFFLER

HPC Engineering

Amazon Web Services

U.K./U.S.

 

CHARLIE CATLETT

Discovery Partners Institute

University of Illinois System

U.S.A.

 

CARLO CAVAZZONI

SVP of Cloud Computing & Director of the HPC Lab

Chief Technology & Innovation Office

Leonardo S.p.A.

Genoa

ITALY

 

ALOK CHOUDHARY

Electrical and Computer Engineering Department

Northwestern University

U.S.A.

 

TRISH DAMKROGER

Hewlett Packard Enterprise

U.S.A.

 

EWA DEELMAN

University of Southern California

and

Information Sciences Institute

Los Angeles, CA

U.S.A.

 

JACK DONGARRA

Electrical Engineering and Computer Science Department

and

Innovative Computing Laboratory

University of Tennessee

Knoxville, TN, U.S.A.

and

Oak Ridge National Laboratory, U.S.A.

and

University of Manchester, U.K.

 

DANIELE DRAGONI

Leonardo S.p.A.

Genoa

ITALY

 

ANDREW FELDMAN

Founder and CEO of Cerebras Systems

Sunnyvale, California

USA

 

IAN FOSTER

US DOE Argonne National Laboratory

Data Science and Learning Division

and

Department of Computer Science at the University of Chicago

U.S.A.

 

GEOFFREY FOX

Department of Computer Science

School of Engineering and Applied Science

University of Virginia, Charlottesville

and

Digital Science Center

Indiana University, Bloomington

U.S.A.

 

WOLFGANG GENTZSCH

The UberCloud

Regensburg

GERMANY

and

Sunnyvale, CA

USA

 

VLADIMIR GETOV

Distributed and Intelligent Systems Research Group

School of Computer Science and Engineering

University of Westminster

London

UNITED KINGDOM

 

VICTORIA GOLIBER

D-Wave Systems Inc.

GERMANY and U.S.A.

 

MARTIN HILGEMAN

DELL Technologies

U.S.A.

 

BLAKE JOHNSON

IBM Quantum

Quantum Platform Lead

U.S.A.

 

CARL KESSELMAN

Information Sciences Institute

and

Department of Industrial and Systems Engineering

and

Viterbi School of Engineering

and

School of Medicine

University of Southern California

Los Angeles, CA

U.S.A.

 

HIROAKI KOBAYASHI

Architecture Laboratory

Department of Computer and Mathematical Sciences

Graduate School of information Sciences

Tohoku University

JAPAN

 

KIMMO KOSKI

CSC - Finnish IT Center for Science

Espoo

FINLAND

 

SALVATORE MANDRA

Quantum Artificial Intelligence Lab (QuAIL)

KBR, Inc.

NASA, Ames Research Center

Moffet Field, CA

U.S.A.

 

STEFANO MARKIDIS

KTH Royal Institute of Technology

Computer Science Department / Computational Science and Technology Division

Stockholm

SWEDEN

 

SATOSHI MATSUOKA

Director RIKEN Center for Computational Science, Kobe

and

Tokyo Institute of Technology, Tokyo

JAPAN

 

ELENA MESSINA

Principal, Prospicience LLC.

U.S.A.

 

PAUL MESSINA

US DOE Argonne National Laboratory, Argonne Illinois

Argonne Associate and Distinguished Fellow

U.S.A.

 

MASOUD MOHSENI

GOOGLE Quantum Artificial Intelligence Laboratory, Google AI

GOOGLE Headquarters

Venice CA, Los Angeles

U.S.A.

 

CHRISTOPHER MONROE

IonQ Inc.

and

University of Maryland

and

Duke University

U.S.A.

 

MARTIN MUELLER

SambaNova Systems

Palo Alto, California

U.S.A.

 

KEVIN OBENLAND

Quantum Information and Integrated Nanosystems

Lincoln Laboratory

Massachusetts Institute of Technology MIT

Boston, MA

USA

 

MANISH PARASHAR

Scientific Computing and Imaging

Institute

and

School of Computing

University of Utah, Salt Lake City

U.S.A.

 

VALERIO PASCUCCI

Center for Extreme Data Management, Analysis and Visualization

and

Scientific Computing and Imaging Institute

School of Computing

University of Utah, Salt Lake City

and

US DOE Pacific Northwest National Laboratory

U.S.A.

 

KRISTEN PUDENZ

Atom Computing

Berkeley, California

U.S.A.

 

DANIEL REED

Department of Electrical and Computer Engineering

School of Computing

University of Utah

Salt Lake City, Utah

U.S.A.

 

CHAD RIGETTI

Founder and CEO

Rigetti Computing

Berkeley, CA

U.S.A.

 

MARK SAFFMAN

COLDQUANTA Quantum Information

and

University of Wisconsin-Madison

U.S.A.

 

CLAUDIO SCALESE

EuroHPC JU: HPC Research & Innovation

LUXEMBOURG

 

THOMAS SCHULTHESS

CSCS

Swiss National Supercomputing Centre

Lugano

and

ETH

Zurich

SWITZERLAND

 

JAMES C. SEXTON

IBM Fellow

IBM T.J. Watson Research Center, N.Y.

Future Computing Systems

U.S.A.

 

PETE SHADBOLT

Chief Scientific Officer & Co-Founder

PsiQuantum Corp.

Palo Alto, California

U.S.A.

 

GILAD SHAINER

NVIDIA

Mellanox networking at NVIDIA, focusing on high-performance computing,

artificial intelligence and the InfiniBand technology

U.S.A.

 

THOMAS STERLING

AI Computing Systems Laboratory (AICSL)

School of Informatics, Computing, and Engineering

Indiana University, Bloomington

U.S.A.

 

RICK STEVENS

US DOE Argonne National Laboratory

Computing, Environment, Life Sciences Laboratory

and

University of Chicago

U.S.A.

 

FRED STREITZ

Center for Forecasting and Outbreak Analytics (CFA/CDC)

and

Lawrence Livermore National Laboratory (LLNL/DOE)

U.S.A.

 

WILLIAM TANG

Princeton University Dept. of Astrophysical Sciences,

Princeton Plasma Physics Laboratory

and

Center for Statistics and Machine Learning (CSML)

and

Princeton Institute for Computational Science & Engineering (PICSciE)

Princeton University

U.S.A.

 

MICHELA TAUFER

The University of Tennessee

Electrical Engineering and Computer Science Dept.

Knoxville, TN

U.S.A.

 

SCOTT TEASE

Lenovo

Vice President HPC and AI

Morrisville, NC

U.S.A.

 

PHILIPPE THIERRY

INTEL Corporation

U.S.A.

 

ROBERT WISNIEWSKI

Senior Vice President and Chief Architect of HPC

Head of Samsung’s SAIT Systems Architecture Lab

U.S.A.

 

 

 

Workshop Agenda

Monday, July 4th

 

 Session

Time

Speaker/Activity

Session I

State of the art and future scenarios

9:30 – 9:45

Welcome Address

 

9:45 – 10:15

J. DONGARRA

Still Having Fun After 50 Years

 

10:15 – 10:45

T. STERLING

Transition to Memory-Centric HPC Architecture for Data Analytics

 

10:45 – 11:15

J. SEXTON

Accelerating Discovery

 

11:15 – 11:45

COFFEE BREAK

 

11:45 – 12:15

S. MATSUOKA

Towards FugakuNEXT - Life after Exascale

12:15 – 12:45

R. WISNIEWSKI

Innovating the Next Discontinuity

 

12:45 – 13:00

CONCLUDING REMARKS

Session II

 

Emerging Computer Systems and Solutions

 

17:00 – 17:25

C. SCALESE

Presentation of the European High-Performance Computing Joint Undertaking & its activities

 

17:25 – 17:50

E. DEELMAN

16 Years Later: Pegasus in Cetraro: challenges and solutions for emerging computing systems

 

17:50 – 18:15

B. BOUFFLER

We meet again at last. We’ve been busy

18:15 – 18:45

S. TEASE

HPC and Sustainability: The Smarter Path to Zero Emission Computing

 

18:45 – 19:15

COFFEE BREAK

 

19:15 – 19:35

P. MESSINA

Laudatio for prof. Jack Dongarra

 

19:35 – 20:00

M. HILGEMAN

Innovating and democratizing HPC, challenges for a platform vendor

 

20:00 – 20:10

CONCLUDING REMARKS

 

 

Tuesday, July 5th

 

Session

Time

Speaker/Activity

Session III

AI on HPC Platforms I

 

9:25 – 9:50

I. FOSTER

Intelligent Simulations: How Combining AI and HPC Can Enable New Discoveries

 

9:50 – 10:15

G. FOX

Deep Learning for Earthquake Nowcasting

 

10:15 – 10:40

R. STEVENS

Trillion Parameter Language Models pre-trained with Science Text and Data: Is this a plausible path towards the development of Artificial General Intelligence for Science?

 

10:40 – 11:05

K. BERGMAN

Multi-terabit Photonic Connectivity for Energy Efficient AI Computing

 

11:05 – 11:35

COFFEE BREAK

 

11:35 – 12:00

A. FELDMAN

Powering the Future: AI, AI+HPC at Wafer Scale

 

12:00 – 12:25

P. BECKMAN

AI for the Instrument to HPC Continuum

 

12:25 – 12:50

A. CHOUDHARY

Accelerating Discovery and Design using AI

 

12:50 – 13:00

CONCLUDING REMARKS

Session IV

 

AI on HPC Platforms II

 

17:00 – 17:25

c. kesselman

How not to Forget What You Have Learned: A Data-Centric Approach To Reproducibility and Sharing for Machine Learning

 

17:25 – 17:50

W. TANG

HPC Acceleration of Progress in Fusion Energy Prediction & Control Enabled by AI / Deep Learning

 

17:50 – 18:15

E. MESSINA

Embodied AI for Robotics

 

18:15 – 18:45

COFFEE BREAK

18:45 – 19:45

PANEL DISCUSSION

“Whither AI + HPC + Big Data?”

Paul Messina (chair)

Preliminary slate of panelists:

Keren Bergman, Andrew Feldman, Geoffrey Fox, Carl Kesselman, Martin Mueller, Rick Stevens

The use of AI has exploded in recent years. Many of the applications that have been tackled make use of HPC architectures and algorithms, as well as massive data collections. There has been much progress and experience gained, which makes this a good time to assess what worked well and what did not. The panelists will be asked to identify advances in algorithms, software environments, data analytics, standards, and computer architectures that would lead to more productive and reliable use of AI.

 

 

Wednesday, July 6th

 

Session

Time

Speaker/Activity

Session V

The QUANTUM COMPUTING Promises I

 

9:00 – 9:25

M. MOHSENI

Nonlocal Monte Carlo with algorithmic thermal and quantum fluctuations

 

9:25 – 9:50

C. RIGETTI

Path To Large Scale Fault-Tolerant Quantum Computing

 

9:50 – 10:15

C. MONROE

Quantum Computing with Atoms

 

10:15 – 10:40

M. SAFFMAN

Quantum computing with neutral atom qubits

 

10:40 – 11:05

B. JOHNSON

Enabling quantum-classical computation on multiple time scales

11:05 – 11:30

COFFEE BREAK

 

11:30 – 11:55

K. PUDENZ

Atom Computing’s Quantum Platform

 

11:55 – 12:20

V. GOLIBER

Unlocking the Power of Quantum with D-Wave

 

12:20 – 12:45

K. OBENLAND

Benchmarking and Analysis of Noisy Intermediate-Scale Trapped Ion Quantum Computing Architectures

12:45 – 13:00

CONCLUDING REMARKS

Session VI

 

The QUANTUM COMPUTING Promises II

 

17:00 – 17:25

P. SHADBOLT

Silicon photonic quantum computing

 

17:25 – 17:50

S. MANDRA

Large-Scale Simulations of Quantum Circuits on HPC Clusters Using HybridQ

 

17:50 –18:15

D. Dragoni

Exploration of QUANTUM COMPUTING @ Leonardo Labs

18:15 – 18:45

COFFEE BREAK

18:45 – 20:00

PANEL DISCUSSION

“The Intersection of Quantum Computing and HPC”

 

Daniel Reed (co-chair), Christopher Monroe (co-chair, t.b.c.)

 

Panelists: Pete Beckman, Rick Stevens, Chad Rigetti, Pete Shadbolt

 

During the past several decades, supercomputing speeds have gone from Gigaflops to Teraflops, to Petaflops and Exaflops. As the end of Moore’s law approaches, the HPC community is increasingly interested in disruptive technologies that could help continue these dramatic improvements in capability. This interactive panel will identify key technical hurdles in advancing quantum computing to the point it becomes useful to the HPC community. Some questions to be considered:

 

·       When will quantum computing become part of the HPC infrastructure?

·       What are the key technical challenges (hardware and software)?

·       What HPC applications might be accelerated through quantum computing?

belle epoque

Is the “belle époque” of classical High Performance Computer Systems coming at the end?

 

 

Thursday, July 7th

 

Session

Time

Speaker/Activity

Session VII

BIG DATA Processing: Challenges and Perspectives

 

9:15 – 9:40

M. PARASHAR

Towards the Intelligent Discovery and Delivery of Major Facility Data

 

9.:40 – 10:05

V. PASCUCCI

The National Science Data Fabric:Democratizing Data Access for Science and Society

 

10:05 – 10:30

I. ALTINTAS

C is not for Cookie: Collaboration, Convergence and Composable CI Through the Fire Lense

 

10:30 – 10:55

M. MUELLER

Reconfigurable Dataflow Architecture - AI made easy

10:55 – 11:25

COFFEE BREAK

 

11:25 – 11:50

M. TAUFER

The Curios Case of Reproducing Scientific Results about Black Holes

 

12:00 – 12:25

H. KOBAYASHI

R&D of a Quantum-Classical HPC Hybrid Platform and its Target Applications with QA-Based Simulation-Data Analysis Hybrid

12:50 – 13:00

CONCLUDING REMARKS

Session VIII

Advances in HPC Technology and Systems, Architecture and Software II

 

17:30 – 17:55

D. REED

Reinventing High-Performance Computing

 

17:55 – 18:20

F. STREITZ

HPC and Machine Learning for Molecular Biology: the ADMIRRAL Project

18:20 – 18:50

COFFEE BREAK

 

18:50 – 19:15

P. THIERRY

The road to Zettascale from an application perspective, and a few other details

 

19:15 – 19:40

G. SHAINER

Cloud-Native Supercomputing: Bare-Metal, Secured Supercomputing Architecture

19:40 – 19:50

CONCLUDING REMARKS

 

 

Friday, July 8th

 

Session

Time

Speaker/Activity

Session IX

Key Projects, Novel Developments and Challenging Applications

 

9:30 – 9:55

K. KOSKI

LUMI EuroHPC architecture and impact for research

 

9:55 – 10:20

K. PUDENZ

Long coherence times pave the path to quantum applications

 

10:20 – 10:45

V. GETOV

Component-Based Message Passing for Java: Developments, Achievements, and Impact

10:45 – 11:15

COFFEE BREAK

 

11:15 – 11:40

W. GENTZSCH

Enhancing the Engineering Simulation HPC Cloud Platform and HPC Containers Towards Multi-Cloud and Kubernetes

 

11:40 – 12:05

T. SCHULTHESS

What accelerated data analytics and computing applied to numerical weather prediction is telling us about the future of supercomputing

 

12:05 – 12:30

S. MARKIDIS

What we Learned About Programming Models During the Race to Exascale

12:30 – 12:40

CONCLUDING REMARKS

 

 

 

Chairpersons

 

SESSION I

 

PAUL MESSINA

US DOE Argonne National Laboratory, Argonne Illinois

Argonne Associate and Distinguished Fellow

U.S.A.

 

SESSION II

 

WOLFGANG GENTZSCH

The UberCloud

Regensburg

GERMANY

and

Sunnyvale, CA

USA

 

SESSION III

 

THOMAS STERLING

AI Computing Systems Laboratory (AICSL)

School of Informatics, Computing, and Engineering

Indiana University, Bloomington

U.S.A.

 

SESSION IV

 

EWA DEELMAN

University of Southern California

and

Information Sciences Institute

Los Angeles, CA

U.S.A.

 

SESSION V

 

GEOFFREY FOX

Department of Computer Science

School of Engineering and Applied Science

University of Virginia, Charlottesville

and

Digital Science Center

Indiana University, Bloomington

U.S.A.

 

SESSION VI

 

HIROAKI KOBAYASHI

Architecture Laboratory

Department of Computer and Mathematical Sciences

Graduate School of information Sciences

Tohoku University

JAPAN

 

SESSION VII

 

IAN FOSTER

US DOE Argonne National Laboratory

Data Science and Learning Division

and

Department of Computer Science at the University of Chicago

U.S.A.

 

 

SESSION VIII

 

VLADIMIR GETOV

Distributed and Intelligent Systems Research Group

School of Computer Science and Engineering

University of Westminster

London

UNITED KINGDOM

 

 

SESSION IX

 

WOLFGANG GENTZSCH

The UberCloud

Regensburg

GERMANY

and

Sunnyvale, CA

USA

 

 

 

Panels

 

“Whither AI + HPC + Big Data?”

Tuesday, July 5th, 2022

 

Panelists: Keren Bergman, Andrew Feldman, Geoffrey Fox, Carl Kesselman, Martin Mueller, Rick Stevens

 

The use of AI has exploded in recent years. Many of the applications that have been tackled make use of HPC architectures and algorithms, as well as massive data collections. There has been much progress and experience gained, which makes this a good time to assess what worked well and what did not. The panelists will be asked to identify advances in algorithms, software environments, data analytics, standards, and computer architectures that would lead to more productive and reliable use of AI.

“The Intersection of Quantum Computing and HPC”

Wednesday, July 6th, 2022

 

Daniel Reed (co-chair), Christopher Monroe (co-chair, t.b.c.)

 

Panelists: Pete Beckman, Rick Stevens, Chad Rigetti, Pete Shadbolt

 

During the past several decades, supercomputing speeds have gone from Gigaflops to Teraflops, to Petaflops and Exaflops. As the end of Moore’s law approaches, the HPC community is increasingly interested in disruptive technologies that could help continue these dramatic improvements in capability. This interactive panel will identify key technical hurdles in advancing quantum computing to the point it becomes useful to the HPC community. Some questions to be considered:

 

  • When will quantum computing become part of the HPC infrastructure?
  • What are the key technical challenges (hardware and software)?
  • What HPC applications might be accelerated through quantum computing?

 

 

 

 

Abstracts

To Exascale and Beyond: Accomplishments and Challenges for Large Scale Scientific Visualization

 

James Ahrens

Los Alamos National Laboratory, Los Alamos, NM, USA

 

Short Abstract

Highlighting accomplishments from exascale visualization projects and presenting a vision of how to support visual analysis for the evolving modern scientific process.

 

Long Abstract

Visualization plays a critical role in the scientific understand of the massive streams of data from scientific simulations and experiments. Continued growth in performance and availability of large scale supercomputing resources (e.g. exascale soon and faster over the next decade) enables both increasing simulation resolutions and an increasing number of and breadth of simulation ensemble runs. In the modern scientific process these simulation ensembles are verified for correctness and then validated with experimental ensembles to increase our overall scientific knowledge. Effective visualization of the verification and validation (V&V) process is a significant challenge. Additional challenges include the significant gap between supercomputer processing and data storage speeds. In this talk, I will highlight current accomplishments from the U.S. Exascale Computing Project to address these challenges include high-dimensional visual analysis, comparative visualization, in situ visualization, portable multi-threaded visualization algorithms, and automated techniques. I will present a vision of a set of needed initiatives to support the visual understanding of the complex and evolving modern scientific process.

 

Bio

Dr. James Ahrens is the director of the Information Science Technology Institute at Los Alamos National Laboratory. He is also the Department of Energy Exascale Computing Project (ECP) Data and Visualization lead for seven storage, data management and visualization projects that will be a key part of a vibrant exascale supercomputing application and software ecosystem. His research interests include visualization, data science and parallel computing. Dr. Ahrens is author of over 120 peer reviewed papers and the founder/design lead of ParaView, an open-source visualization tool designed to handle extremely large data. ParaView is broadly used for scientific visualization and is in use at supercomputing and scientific centers worldwide. Dr. Ahrens received his B.S. in Computer Science from the University of Massachusetts at Amherst in 1989 and a Ph.D. in Computer Science from the University of Washington in 1996. Dr. Ahrens is a member of the IEEE and the IEEE Computer Society. Contact him at ahrens@lanl.gov.

 

Back to Session IX

Trends in Parallel File Systems for HPC - A European Perspective

 

Frank Baetke

EOFS (European Open File Systems - Societas Europaea)

 

Parallel File Systems are an essential part of almost all HPC-Systems. The need for that architectural concept originated with the growing influence and finally complete takeover of the HPC spectrum by parallel computers either defined as clusters or as MPPs following the nomenclature of the TOP500.

A major step towards parallel file systems for the high end of HPC systems occurred around 2001 when the US DoE funded the development of such an architecture called LUSTRE as part of the ASCI path forward project with external contractors that included Cluster File Systems Inc. (CFS), Hewlett Packard and Intel. The acquisition of the assets of CFS by SUN Microsystems in 2007 and its subsequent acquisition by ORACLE in 2010 led to a crisis with the cancellation of future work on LUSTRE.

To save the assets and ensure further development a few HPC-focused individuals founded organizations as EOFS, OpenSFS and Whamcloud to move LUSTRE to a community-driven development. In 2019 EOFS and OpenSFS jointly acquired the LUSTRE trademark, logo and related assets and have jointly organized LUSTRE-focused sessions at SC and ISC ever since.

In Europe development of a parallel file system focused on HPC began in 2005 at the German Fraunhofer Society also as an open-source project dubbed FhGFS (Fraunhofer Global Parallel File System) that has now - driven by its spin-off ThinkParQ and renamed BeeGFS – gained worldwide recognition and visibility.

In contrast to community-driven open-source concepts several proprietary parallel file systems are widely in use with IBM’s Spectrum Scale – originally known as GFPS – having the lead in HPC with a significant number of installations at the upper ranks in the TOP500 list. But there are other interesting proprietary concepts with specific areas of focus and related benefits.

In this talk we will review the role of EOFS (European Open File Systems - SCE) and Europe’s focus and contribution in the further development of this essential components of HPC-Systems.

 

Note: All trademarks are the property of their respective owners

 

Back to Session II

C is not for Cookie: Collaboration, Convergence and Composable CI Through the Fire Lense

 

Ilkay Altintas

San Diego Supercomputer Center and Workflows for Data Science (WorDS) Center of Excellence and WIFIRE Lab University of California at San Diego, CA, U.S.A.

 

We are in “the age of complexity”. Our world is increasingly influenced by grand challenge problems, requiring new integrated systems of knowledge, technology and environment to be developed at the societal scale. In every area of science and society, new solutions are becoming possible through the advances in data science, information and computing, but also through developments of collaborative teams. This talk discusses the systems and methodology requirements such team science and integrated applications pose on cyberinfrastructure, and provides an example application in wildland fire science area.

 

Back to Session VII

AI for the Instrument to HPC Continuum

 

Pete Beckman

Argonne National Laboratory, Argonne, IL, USA

 

No longer does a chasm exist between scientific instrumentation and advanced computation. From the sensor to the laptop, from the telescope to the supercomputer, from the microscope to the database, scientific discovery is part of a connected digital continuum that is dynamic and fast. In this new digital continuum, Artificial intelligence (AI) is providing tremendous breakthroughs, making data analysis and automated responses possible across the digital continuum. SAGE is a National Science Foundation project to build a national cyberinfrastructure for programable edge computing. The SAGE infrastructure allows scientists to write “software-defined sensors” by analyzing the data in situ, at the edge, at the highest resolution of data. Data from the edge computation are then transmitted to a cloud computing infrastructure where they can be archived and provided to the community as data products or used in real time to trigger computational models or dynamically modify subsequent edge computation. This new edge computing programming framework gives scientists a new tool for exploring the impacts of global urbanization, natural disasters such as flooding and wildfires, and climate change on natural ecosystems and city infrastructure. SAGE is deploying cyberinfrastructure in environmental testbeds in California, Colorado, and Kansas, in the National Ecological Observatory Network, and in urban environments in Illinois and Texas. Artificial intelligence will transform the digital continuum, changing programming models and how shared scientific facilities are designed and built.

 

Back to Session III

Multi-terabit photonic connectivity for energy efficient AI computing

 

Keren Bergman

Columbia University, USA

 

Modern ML models now use hundreds of billions of parameters. Such large models require distributed systems and are increasingly bottlenecked by the energy and communications costs of interconnection networks. Integrated silicon photonics offer the opportunity for delivering ultra-high bandwidth connectivity that is energy efficient and scalable system wide. We introduce the concept of embedded photonics for deeply disaggregated architectures. Beyond alleviating the bandwidth/energy bottlenecks, the new architectural approach enables flexible connectivity tailored to accelerate distributed ML applications.

 

Keren Bergman is the Charles Batchelor Professor of Electrical Engineering at Columbia University where she also serves as the Faculty Director of the Columbia Nano Initiative. Prof. Bergman received the B.S. from Bucknell University in 1988, and the M.S. in 1991 and Ph.D. in 1994 from M.I.T. all in Electrical Engineering. At Columbia, she leads the Lightwave Research Laboratory encompassing multiple cross-disciplinary programs at the intersection of computing and photonics. Prof. Bergman is the recipient of the 2016 IEEE Photonics Engineering Achievement Award and is a Fellow of Optica and IEEE.

 

Back to Session III

AI for Experimental Design at Urban and Regional Scales

 

Charlie Catlett

Discovery Partners Institute, University of Illinois System, USA

 

Machine learning (ML) methods, particularly for community vulnerability assessment and forecast, have improved our ability to optimize strategies ranging from the quantity and placement of sensors to measure urban heat islands and air pollution to  the selection of sampling points to measure infectious disease levels in urban areas and large rural regions.  The use of ML for these and other experimental design problems will be discussed, noting the unique challenges at different spatial scales, from census tract to city- or county-scale.

 

Back to Session IV

Enabling HPC potential for engineering applications in aerospace and defence

 

Carlo Cavazzoni

SVP of Cloud Computing & Director of the HPC Lab, Chief Technology & Innovation Office, Leonardo S.p.A., Genoa, ITALY

 

The presentation will cover the Leonardo experience in using its own convergent HPC and Cloud infrastructure for aerospace applications, with particular focus on the usage of Digital Twin and BigData technologies.

 

Back to Session VIII

Accelerating Discovery and Design using AI

 

Alok Choudhary

Henry & Isabelle Dever Professor of ECE, Northwestern University, USA

 

How can AI help accelerate knowledge discoveries and exploration of design spaces. An example of this is learning from data to build predictive models that can enable exploration of scientific questions without relying upon underlying theory or even domain knowledge. Another example is the acceleration of so called the “inverse problems” which explore the design space based on desired properties. For example, can AI learn basic chemistry from data? Or how can AI replace or reduce the need for expensive simulations or experiments to perform discoveries quickly or evaluate a feasible design space? This talk will present some learnings that address some of the questions above using various materials design and discovery examples.

 

Biography:

Dr. Alok Choudhary is the Dever Professor of Electrical Engineering and Computer Science at Northwestern University. He also teaches at Kellogg School of management. He is the founder, chairman and chief scientist of 4C insights, a big data analytics and marketing technology software company (4C was recently acquired by MediaOcean). He received the National Science Foundation's Young Investigator Award in 1993. He is a fellow of IEEE, ACM and AAAS. He has published more than 400 papers in various journals and conferences and has graduated 45+ PhD students, including more than 10 women PhDs.

 

Back to Session III

The future of HPC Systems

 

Trish Damkroger

HPE, Germany

 

Driven by convergence with artificial intelligence and data analytics, increased

heterogeneity, and a hybrid cloud/on-premise delivery model, dynamic composition of workflows will be a key in designing future high-performance computing systems. While tightly coupled HPC workloads will continue to execute on dedicated supercomputers, other jobs will run elsewhere, including public clouds, and at the edge. Connecting these distributed computing tasks into coherent applications that can perform at scale is the key to harnessing the power of HPC.

 

Back to Session I

16 Years Later: Pegasus in Cetraro: challenges and solutions for emerging computing systems

 

Ewa Deelman

Los Alamos National Laboratory, Los Alamos, NM, USA

 

The talk will examine the challenges faced by workflow management systems over the last two decades, what concepts survived and what new solutions were developed to address emerging computing systems, and where the gaps remain.  In particular the talk will focus on the Pegasus workflow management system and its applications and describe their evolution and adaptation over time as the execution systems have gone from tera- to exa-scale.

Back to Session II

Still having Fun After 50 Years

 

Jack Dongarra

University of Tennessee, Oak Ridge National Laboratory, University of Manchester, USA & United Kingdom

 

In this talk, we will look back at some of the highlights I have had good luck in being involved in.

 

Back to Session I

Exploration of QUANTUM COMPUTING @ Leonardo Labs

A pragmatic industrial approach

 

Daniele Dragoni

Leonardo S.p.A., High Performance Computing Lab, Genova, Italy

 

Quantum Computing (QC) is an emerging paradigm that offers the potential to solve complex problems that are considered intractable within the classical/digital computing domain. Building a quantum computer capable of solving problems of practical interest is, however, an engineering challenge unmatched. In fact, despite the rapid pace of development of the hardware technologies that has recently enabled the first demonstrations of quantum supremacy, no evidence of quantum advantage on real-world problems has been observed yet. Nonetheless, we are currently witnessing an era of quantum enablement where industries, attracted by glimpses of quantum computational capabilities, have started to investigate potential benefits associated with this technology.

In this talk, I will present the approach Leonardo is taking to explore the QC domain, introducing the research areas and applications that we intend to investigate by means of emulators on HPC systems and quantum hardware. Finally, I will show some examples of activities that we are carrying out within these research areas.

Back to Session VI

Powering the Future: AI, AI+HPC at Wafer Scale

 

Andrew Feldman

Founder and CEO Cerebras Systems, Sunnyvale, California, USA

 

Artificial intelligence (AI) has shown transformative potential for scientific discovery in applications ranging from life sciences and medicine to physics and energy. In addition, AI is being used alongside or in conjunction with traditional high performance computing (HPC) routines to build better and more efficient simulation and processing pipelines. While the potential of this work is high, the associated compute demands are large and growing much faster than Moore’s law allows us to build processors.  Large scale AI, HPC, and AI+HPC for science requires massive sparse compute, near compute memory and high bandwidth communication – attributes not found in clusters of traditional processors.

 

In this talk, Cerebras will describe its wafers scale processor, the WSE-2 and the software architecture that takes advantage of the 850,000 near memory compute cores. We will discuss the chip architecture, hardware software co-design, and the challenges presented to engineering by wafer scale.  We will show real world use cases in AI, HPC, and AI+HPC that show unique advantage in scientific and commercial applications and we will also present new research enabled by the WSE-2’s architecture for training very large models with high levels of sparsity.

 

Back to Session III

Intelligent Simulations: How Combining AI and HPC Can Enable New Discoveries

 

Ian Foster

Argonne National Laboratory, USA

 

The search for ever-more accurate and detailed simulations of physical phenomenon has driven decades of improvements in both supercomputer architecture and computational methods. It seems increasingly likely that the next several orders of magnitude improvements are likely to come, at least in part, from the use of machine learning and artificial intelligence methods to learn approximations to complex functions and to assist in navigating complex search spaces. Without any aspiration for completeness, I will review some relevant activities in this space and suggest some implications for future research.

 

Back to Session III

Deep Learning for Earthquake Nowcasting

 

Geoffrey Fox

Indiana University, USA

 

AI is expected to transform both science and the approach to science. As an example, we take the use of deep learning to describe geospatial time series and present a general approach building on previous work on recurrent neural networks and transformers. We give examples of so-called spatial bags from earthquake nowcasting, hydrology, medical time series, and particle dynamics and focus on the earthquake case. The latter is presented as an MLCommons benchmark challenge with three different implementations: a pure recurrent network, a Spatio-temporal science transformer, and a version of the Google Temporal Fusion Transformer. We discuss the physics intuition that hidden variables may be elusive for Earthquakes but more natural in for example hydrology. We discuss  deep learning issues such as the seemingly unreasonable number of parameters (weights), software engineering implications, and the need for significant computational resources

Reference https://www.mdpi.com/2624-795X/3/2/11/htm

 

Back to Session III

Enhancing the Engineering Simulation HPC Cloud Platform and HPC Containers Towards Multi-Cloud and Kubernetes

 

Wolfgang Gentzsch and Daniel Gruber

The UberCloud, Sunnyvale, California, and Regensburg, Germany

 

Over the past 12 months, we extended our cloud application platform and the HPC containers towards several directions. First, early last year, after it has been announced that CentOS will be ‘end-of-lifed’, we entered into a technology partnership with SUSE and jointly ported our containers from CentOS to SUSE Linux Enterprise Server (SLES) and to the SUSE Base Container Image (BCI) and tested it successfully with several commercial application codes.

 

Second, we further improved our multi-cloud engineering simulation platform. It is now used in production on Azure, Google Cloud, and AWS, and we used it in our Living Heart Project with Dassault Systèmes and 3DT Holdings which has been widely recognized in the HPC community.

 

And third, we enhanced our platform with new Kubernetes cluster management capabilities for environments like AWS (EKS), Azure (AKS), Google (GKE), and SUSE (RKE). Each of these managed Kubernetes environments has their specialties and challenges that we successfully tackled one by one. Finally, we tested / benchmarked these environments that showed different performances.

 

Back to Session IX

Component-Based Message Passing for Java: Developments, Achievements, and Impact

 

Vladimir Getov

Distributed and Intelligent Systems Research Group, University of Westminster, London, U.K.

 

Released in 1995, the Java programming language was rapidly adopted by industry and end users because of its portability and internet programming support. However, Java did not have the symmetric message passing capability, widely recognised as vitally important for parallel and distributed memory computing. By contrast, efficient message passing support had already been captured in the MPI (message-passing interface) standard for other programming languages such as C, C++, and Fortran. To alleviate this difficulty, various early projects including our own work started the development of Java message-passing systems. Then, a single MPI-like API specification and reference implementation were developed by the Message Passing for Java (MPJ) International Working Group as part of the JavaGrande Forum. This group also developed a methodology for building mixed-language MPJ applications which evolved from three approaches: (a) wrapping of existing MPI libraries via hand-written software; (b) automatic code generation of the wrapper interface by a novel tool-generator; and (c) development from scratch of the MPJ libraries in Java. The development of all three approaches implemented the MPJ specification which successfully resembled MPI, providing symmetric message passing for distributed computing with Java.

Nowadays, MPJ is the predecessor of the Java binding included since 2014 in the core distribution of the widely used Open MPI software environment. The invention of MPJ resulted in an industry standard specification and a novel component-based hierarchical development methodology which enables the development of very large and complex grid and cloud-based distributed systems. These achievements led to: (a) impact on professional practice and development productivity; (b) significant economic impact; and (c) social impact via the results of the novel component-based application.

 

Back to Session IX

Unlocking the Power of Quantum with D-Wave

 

Victoria Goliber

D-Wave Systems Inc., Germany & USA

 

As quantum technologies advance, more and more customers are seeing the value in bringing quantum into their business. With D-Wave’s quantum annealers and hybrid quantum-classical solvers, we now have the ability to solve real-world problems with up to one million variables. In addition, upgraded software tools provide easy-to-use functionality for users to quickly translate their business problems into quantum applications. Join us to hear about the latest releases and industry case studies.

 

Back to Session V

Innovating and democratizing HPC, challenges for a platform vendor

 

Martin Hilgeman

Dell Technologies, USA

 

It is the Dell Technologies’ mission to make HPC systems available to everyone, with an emphasis on ease of use, standards compliance without vendor lock-in, while also advancing HPC through research. Most of Dell’s HPC research is done at the HPC and AI Innovation Lab, which is hosted on the Dell campus in Austin, TX. This presentation gives an overview of the lab’s capabilities, amended with selected case studies. The author also discusses the challenges that HPC platform vendors like Dell Technologies face in terms of enabling application efficiency, while using massively parallel and multi-core processors, domain specific accelerators, and large-scale parallel storage systems.

 

Biography

Martin joined Dell Technologies in 2011, after having worked as an HPC application specialist for 12 years at SGI and IBM. In 2019, he joined AMD as a senior manager and worked on porting and optimizing the major HPC applications to the “Rome” microarchitecture. Martin returned to Dell Technologies in May 2020 as the HPC performance lead and Distinguished Member of Technical Staff in Dell ISG. He owns a master’s degree in physical chemistry, obtained at the VU University of Amsterdam.

 

Back to Session II

Enabling quantum-classical computation on multiple time scales

 

Blake Johnson

Distinguished RS, Quantum Platform Lead, IBM Quantum

 

It is increasingly apparent that quantum computers will not enter the world of computing as standalone entities. Rather, they will be used in concert with classical computers to solve problems. These interactions take several forms and occur on several distinct time scales, from the ultra-low latency domain of dynamic circuits utilizing feedforward of quantum measurements, to the domain of scalable elastic compute with cloud HPC. These considerations motivate new interfaces to quantum hardware to express such interactions and/or enable integration in other compute models. I will discuss developments in two of these domains, including the OpenQASM3 circuit description language for combining real-time classical computation with quantum operations, and the Qiskit Runtime that powers higher-level primitives that allow for managed performance of algorithmic building blocks. Time permitting, I will provide an outlook for how elastic cloud HPC might be combined with Runtime primitives to extend the computational power of quantum systems.

 

Back to Session V

R&D of a Quantum-Classical HPC Hybrid Platform and its Target Applications with QA-Based Simulation-Data Analysis Hybrid

 

Hiroaki Kobayashi

Architecture Laboratory, Department of Computer and Mathematical Sciences, Graduate School of information Sciences, Tohoku University, JAPAN

 

In this talk, I will be presenting our on-going project entitled Quantum-Annealing Assisted Next-Generation HPC Infrastructure,

In this project, we try to realize transparent accesses to not only classical HPC resources with heterogeneous computing platforms such as x86 and vector accelerator, but also Quantum Computing one in a unified fashion.

We are also developing next-generation applications in the fields of computational science, data sciences and their fusions best suited for this infrastructure.

The target applications are three digital twins: Digital Twin for Disaster Resilience, Digital Twin for Stable Power Generation and Digital Twin for Soft-Material Design.

In these applications developments, we introduce quantum annealing and simulated annealing accelerated by classical HPC into optimal evacuation route analysis and data clustering, respectively.

Some performance discussion on different type of annealers by quantum and classical computing is also presented in this talk.

 

Back to Session VII

LUMI EuroHPC architecture and impact for research

 

Kimmo Koski

CSC - Finnish IT Center for Science, Espoo, Finland

 

The #1 European supercomputer LUMI  hosted by CSC at the Kajaani data centre in Finland  is an 200 MEUR investment by 10 European countries and the European Commission. A peak flops GPU partition is complemented not only by a x86 based partition, but also with different large storage capabilities in form of  fast flash-based disks, large parallel file system and object store for sharing and staging data. A cloud container partition to support complex workflows and a partition for interactive data analytics and visualization are included. One additional feature of  LUMI is that it from beginning includes a support for quantum computing. Initially by a quantum simulator/emulator and, as presented in this, direct access to several quantum computers. By this way making experimentation with quantum computing available for the advanced HPC users of LUMI our aim is to accelerate the up-take of quantum computing within the computational sciences, stimulate co-creation with the quantum computing community and, contribute to development of the quantum computing and HPC integration software stack.

 

The architecture of the installation is aimed to satisfy a broad range of advanced research needs. Having LUMI installed and operational during this summer in its full capability, over half-an-exaflop performance, is only the beginning of the story. The next steps include providing world class computing capability for various applications and research projects, targeting to address grand challenges of computing in different fields – number of which are discussed in this talk.

 

Back to Session IX

What we Learned About Programming Models During the Race to Exascale

 

Stefano Markidis

Computer Science Department, KTH Royal Institute of Technology, Stockholm, Sweden

 

In late May 2022, the Frontiers supercomputer at the Oakridge national laboratory broke the exaflop barrier ending the international race to deliver the first exaflop supercomputer. The significant engineering effort in designing, developing, and integrating hardware for the exascale machine has been accompanied by substantial developments within programming models. Traditional programming approaches further developed to keep up with and ease the programmability of extremely heterogeneous compute and memory systems; new programming approaches emerged and established themselves as credible HPC programming systems. In this talk, I review the recent developments in programming models and discuss the current challenges to improve them in the post-exascale era further.

 

Back to Session IX

Towards FugakuNEXT - Life after Exascale

 

Satoshi Matsuoka

Tokyo Institute of Technology, Japan

 

Fugaku, the Japanese flagship supercomputer commissioned early 2021 at Riken R-CCS, has been a great success as the first supercomputer to demonstrate exascale performance across a variety of applications pertaining to the Japanese Society 5.0 i.e., digital transformations towards solving the society’s most important problems to realize SDGs. Now, we are embarked on a possible path towards FugakuNEXT, which will be a successor to Fugaku, to be launched towards the end of this decade. The goal is to significantly amplifying the two key metrics of Fugaku, namely high performance and broad applicability, but of course such would be even harder to achieve compared to Fugaku, especially with semiconductor advances slowing down. The talk will introduce the current efforts towards the feasibility study which will commence August 2021, but already, some ideas have been explored with our recent set of research, which gives us good guidance towards a novel, somewhat different trajectory than the exascale machines today.

 

Back to Session I

Embodied AI for Robotics

 

Elena Messina

Principal, Prospicience LLC. USA

 

Artificial intelligence (AI) technologies and robotic systems have been intertwined since their inceptions. Recently, there has been an explosion of research and development in applying machine learning (ML) to robotic perception, planning, grasping, and human interaction, enabled by broad availability of datasets and greater computational resources. This new generation of learning algorithms relies on vast quantities of data, which is currently obtained via ad hoc procedures, typically without traceability, quality measures, or ways to characterize applicability. Expectations for the advancements in robotics that ML and other AI technologies will enable are quite high. Examples of anticipated breakthroughs include autonomous vehicles used as transportation and for deliveries, home robots that allow aging in place, and highly dexterous and adaptive robots that can plan and perform manufacturing operations as well as humans.

 

Are these expectations grounded in reality? The great promise of ML-augmented robotics raises the need for a measurement science infrastructure to help assess the technology’s maturity and guide researchers towards highly-reliable solutions.

Machine learning algorithms are only as good as the data that is used to train them. Therefore the datasets that are used must be vetted and characterized. Additionally, the applicability and limitations of the resulting systems need to be well-understood in order to have effective, safe, and reliable deployments. Robots are an example of embodied AI. Their physicality presents additional challenges in training and execution due to unpredictable interactions with humans and real-world objects and environments. In this talk, I will discuss some of these challenges as well as efforts that are underway at the U. S. National Institute of Standards and Technology and other organizations to address the missing measurement science to help guide researchers, practitioners, and policy makers.

 

Back to Session IV

Quantum Computing with Atoms

 

Christopher Monroe

Duke University and IonQ, Inc., USA

 

Trapped atomic ions are a leading physical platform for quantum computers, featuring qubits with essentially infinite idle coherence times and the highest purity quantum gate operations. Such atomic clock qubits are controlled with laser beams, allowing densely-connected and reconfigurable universal gate sets. The path to scale involves concrete architectural paths, from shuttling ions between QPU cores to modular photonic interconnects between multiple QPUs. Full-stack ion trap quantum computers have thus moved away from the physics of qubits and gates and toward the engineering of optical control signals, quantum gate compilation for algorithms, and software-defined error correction. I will summarize the state-of-the-art in these quantum computers in both academic and industrial settings, and summarize how they are being used for both scientific and commercial applications.

 

Back to Session V

Reconfigurable Dataflow Architecture - AI made easy

 

Martin Mueller

Sambanova Systems, Germany

 

Sambanova Systems developed a novel approach to process neural-network like AI challenges of nearly arbitrary size. The talk will introduce you to the company, the “Reconfigurable Dataflow Architecture”, and the components that make up the whole platform.

 

Speaker bio: Martin has 25yrs of experience in various different technical roles in information technology, from being part of microprocessor development group, field technical presales to product management roles. He holds a diploma in theoretical physics, and lives in Germany.

 

Back to Session VII

Benchmarking and Analysis of Noisy Intermediate-Scale Trapped Ion Quantum Computing Architectures

 

Kevin Obenland

Quantum Information and Integrated Nanosystems, Lincoln Laboratory, Massachusetts Institute of Technology MIT, USA

 

Quantum computing is at the cusp of showing relevance for real-world problems. However, currently available devices are small in scale, and hardware demonstrations have shown limited applicability to scientific and commercial problems of interest. In this work, we investigate a set of application-specific noisy intermediate-scale quantum (NISQ) algorithms varying in size from 4-80 qubits, and use these benchmarks to evaluate trade-offs in the design of 5 candidate trapped ion quantum computing architectures. We have developed a tool-chain consisting of architecture specific compilation and simulation tools, which allows us to estimate metrics such as application run-times and overhead. Additionally, we use our tools to determine the critical operations of an architecture and to study the sensitivity to architectural constraints in particular implementations. Our tools are designed to be flexible, allowing us to study a broad range of benchmarks, hardware architectures, physical constraints, and operation timing.

 

Back to Session V

Towards the Intelligent Discovery and Delivery of Major Facility Data

 

Manish Parashar

Rutgers University, USA

 

Data collected by large-scale instruments, observatories, and sensor networks, i.e., science facilities, are key enablers of scientific discoveries in many disciplines. However, ensuring that these data can be accessed, integrated, and analyzed in a democratized and timely manner remains a challenge. In this talk, I will explore how state-of-the-art techniques for data discovery and access can be adapted to facility data and develop a conceptual framework for intelligent data access and discovery.

 

Back to Session VII

The National Science Data Fabric:

Democratizing Data Access for Science and Society

 

Valerio Pascucci

John R. Parks Endowed Chair, University of Utah, Professor, School of Computing, Faculty, Scientific Computing, and Imaging Institute,  Director, Center for Extreme Data Management, Analysis and Visualization (CEDMAV), USA

 

Effective use of data management techniques for the analysis and visualization of massive scientific data is a crucial ingredient for the success of any experimental facility, supercomputing center, or cyberinfrastructure that supports data-intensive scientific investigations. Data movements have become a central component that can enable or stifle innovation in the progress towards high-resolution experimental data acquisition (e.g., APS, SLAC, NSLS II). However, universal data delivery remains elusive, limiting the scientific impacts of these facilities. This is particularly true for high-volume/high-velocity datasets and resource-constrained institutions.

This talk will present the National Science Data Fabric (NSDF) testbed, which introduces a novel trans-disciplinary data fabric integrating access to and use of shared storage, networking, computing, and educational resources. The NSDF technology addresses the key data management challenges involved in constructing complex streaming workflows that take advantage of data processing opportunities that may arise while  data is in motion. This technology finds practical use in many research and industrial applications, including materials science, precision agriculture, ecology, climate modeling, astronomy, connectomics, and telemedicine.

This NSDF overview will include several techniques that allow building a scalable data movement infrastructure for fast I/O while organizing the data in a way that makes it immediately accessible for processing, analytics, and visualization with resources from Campus Computing Cybeinfrastructures, the Open Storage Network, the Open Science Grid, NSF/DOE leadership computing facilities, the CloudLab, Camelion, and Jetstream, just to name a few. For example, I will present a use case for the real-time data acquisition from an Advanced Photon Source (APS) beamline to allow remote users to monitor the progress of an experiment and direct integration in the Materials Commons community repository. We accomplish this with an ephemeral NSDF installation that can be instantiated via Docker or Singularity at the beginning of the experiment and removed right after. In general, the advanced use of containerized applications with automated deployment and scaling makes the practical use of clients, servers, and data repositories straightforward in practice, even for non-expert users. Full integration with Python scripting facilitates the use of external libraries for data processing. For example, the scan of a 3D metallic foam can be easily distributed with the following Jupyter notebook https://bit.ly/NSDF-example01.

Overall, this leads to building flexible data streaming workflows  for  massive imaging models without compromising the interactive nature of the exploratory process, the most effective characteristic of discovery activities in science and engineering. The presentation will be combined with a few live demonstrations of the same technology including notebooks which are being used to provide undergraduate students of a minority-serving institution (UTEP) with real-time access to large-scale data normally used only by established scientists in well-funded research groups.

 

BIOGRAPHY

Valerio Pascucci is the Inaugural John R. Parks Endowed Chair, the founding Director of the Center for Extreme Data Management Analysis and Visualization (CEDMAV), a Faculty of the Scientific Computing and Imaging Institute, and a Professor of the School of Computing of the University of Utah. Valerio is also the President of ViSOAR LLC, a University of Utah spin-off, and the founder of Data Intensive Science, a 501(c) nonprofit providing outreach and training to promote the use of advanced technologies for science and engineering. Before joining the University of Utah, Valerio was the Data Analysis Group Leader of the Center for Applied Scientific Computing at Lawrence Livermore National Laboratory and an Adjunct Professor of Computer Science at the University of California, Davis. Valerio's research interests include Big Data management and analytics, progressive multi-resolution techniques in scientific visualization, discrete topology, and compression. Valerio is the coauthor of more than two hundred refereed journal and conference papers and was an Associate Editor of the IEEE Transactions on Visualization and Computer Graphics.

 

Back to Session VII

Atom Computing’s Quantum Platform

 

Kristen Pudenz

Atom Computing, Berkeley, CA, USA

 

Atom Computing is creating a quantum processing platform based on nuclear spin qubits. The system makes use of optical tweezers to assemble and individually manipulate a two-dimensional register. We will explore progress on the Phoenix hardware platform and the potential of the technology to create scalable quantum computing solutions.

 

Back to Session V

Reinventing High-Performance Computing

 

Daniel Reed

University of Utah, USA

 

Although there are exceptions, most HPC systems on the TOP500 are examples of a commodity monoculture, built from nodes containing server-class microprocessors and the same GPU accelerators widely used for machine learning. With the end of Dennard scaling, the slowing of Moore’s Law, and exponentially rising costs for semiconductor fabrication facilities, high-performance computing (HPC) is at an important inflection point, with deep and profound change now in the wind. In addition to the technical challenges of chip design, the global semiconductor shortage and associated political battles surrounding fabrication facilities are now affecting everyone. In another profound shift, computing economics are now dominated by cloud hyperscalers and smartphone vendors who are increasingly building using custom semiconductors.

 

Back to Session VIII

Path To Large Scale Fault-Tolerant Quantum Computing

 

Chris Rigetti

Founder and CEO Rigetti Computing, Berkeley, CA, U.S.A.

 

Over the past decade gate-model quantum computers with ~100 qubits have gone from concept to commercial reality. Current practical applications include quantum machine learning, optimization, and simulation and center on the use of hybrid quantum/classical algorithms as the core computational subroutines. Future systems aim to reduce physical error rates to increase computational utility, and to deliver vastly larger numbers of qubits with these low error rates to enable error correction and fault-tolerant routines.

 

Back to Session V

Quantum computing with neutral atom qubits

 

Mark Saffman

ColdQuanta and University of Wisconsin-Madison, USA

 

One of the daunting challenges in developing a computer with quantum advantage is the need to scale to a very large number of qubits while maintaining the fidelity and isolation of pristine, few qubit demonstrations. Neutral atoms are one of the most promising approaches for meeting this challenge, in part due to the combination of excellent isolation from the environment and the capability to turn on strong two-qubit interactions by excitation to Rydberg states. I will present our recent results on running quantum algorithms on a neutral atom processor. Progress towards scaling up the array, high fidelity gate operations, and mid-circuit measurements for error correction, will also be described.

 

Back to Session V

What accelerated data analytics and computing applied to numerical weather prediction is telling us about the future of supercomputing

 

Thomas Schulthess

CSCS

Swiss National Supercomputing Centre, Lugano and ETH, Zurich, SWITZERLAND

 

Numerical Weather Prediction (NWP) was one of the new domains that emerged in the early days of electronic computing and continues to play a central role in supercomputing today. For almost a decade CSCS and its partners at MeteoSwiss, as well as at the Center for Climate Systems Modelling and the Scalable Parallel Computing Lab of ETH Zurich, have exploited the virtues of accelerated computing and data analytics for NWP and climate modelling. I will share these experiences, as well as the conclusions we have drawn for the design of the “Alps” infrastructure, with which CSCS will be offering future extreme computing and data solutions to support the evolving needs of science.

 

Back to Session IX

Silicon photonic quantum computing

 

Pete Shadbolt

Chief Scientific Officer & Co-Founder PsiQuantum, Palo Alto, CA, USA

 

It is increasingly accepted that all commercially useful quantum computing applications require error-correction and therefore at least 1 million physical qubits. The manufacturing capability and expertise of the semiconductor industry are needed to deliver a commercially useful quantum computer on any reasonable time or money scale. In this talk, we will show how unique technology in the areas of silicon photonics and quantum system architecture enable the path to manufacturability and scalability of a fault-tolerant, general-purpose 1-milliion qubit quantum computer.

 

Back to Session VI

Cloud-Native Supercomputing: Bare-Metal, Secured Supercomputing Architecture

 

Gilad Shainer

NVIDIA, USA

 

High-performance computing and artificial intelligence have evolved to be the primary data processing engines for wide commercial use, hosting a variety of users and applications. While providing the highest performance, supercomputers must also offer multi-tenancy security. Therefore they need to be designed as cloud-native platforms. The key element that enables this architecture is the data processing unit (DPU). DPU is a fully integrated data-center-on-a-chip platform that can manage the data center operating system instead of the host processor, enabling security and orchestration of the supercomputer. This architecture enables supercomputing platforms to deliver bare-metal performance, while natively supporting multi-node tenant isolation. We’ll introduce the new supercomputing architecture, and include applications performance results.

Back to Session VIII

Transition to Memory-Centric HPC Architecture for Data Analytics

 

Thomas Sterling

Indiana University, Bloomington, USA

 

Matrix-based applications exhibit memory access patterns that favor temporal and spatial locality, allowing effective use of caches and registers to mitigate performance degradation due to latency effects. Such conventional methods also make better use of memory bandwidth; both using variations of conventional von Neumann core architectures. Two recent trends in the domain of HPC-AI are now constraining future advances in performance progress. One is the flat-lining of Moore’s Law and the other is the demands of data-intensive analytics and AI applications. To address both of these barriers, a new generation of memory-centric computer architectures are being explored as a means of accelerating time-varying graph computation or even serving in an innovative highly scalable standalone data-oriented computing platforms. This presentation will describe the Pilot-CRIS experimental memory-centric architecture under investigation, in part by Indiana University, to address both of these strategic challenges for future AI. Pilot-CRIS is one of a number of leading-edge architectures under development or recently deployed to exercise these new opportunities from academic and start-up companies to some of the biggest corporations in the world. The principles of Pilot-CRIS and their potential will be described in detail. Pilot-CRIS is to be sponsored by the ARO and IARPA AGILE research program.

 

Back to Session I

Trillion Parameter Language Models pre-trained with Science Text and Data: Is this a plausible path towards the development of Artificial General Intelligence for Science?

 

Rick Stevens

Argonne National Laboratory and University of Chicago, USA

 

In the last three years study after study has demonstrated the unexpected power and flexibility of large-scale Generative Pre-trained Transformer 3 (GPT-3) like Large Language Models (LLMs) with >>100 billion parameters pre-trained on >>100 billions of input tokens. These state-of-the-art LLMs need exascale class machines for training and development and may represent a major emerging class of applications for exascale systems. LLMs can be used in a variety of applications, such as answering questions, summarizing documents, translating, planning, writing programs, generating step-by-step directions for common laboratory procedures, associating the function of genes and the mechanism of action of drugs and many more uses. Unlike common narrow problem specific deep learning models widely used in scientific and commercial domains and generally trained in a supervised fashion, LLMs are pre-trained in an unsupervised fashion on large-scale collections of general text, images, and code.  Our group and others are investigating how to assess the performance of existing LLMs in the context scientific and technical tasks, as well studying how performance on scientific tasks might be improved by augmenting general knowledge training datasets with 10’s of millions of scientific papers, scientific images, and structured scientific datasets from domains such as biology, chemistry, and materials science.  In this talk I’ll review recent progress in building general purpose LLMs that may be useful for downstream scientific tasks. I’ll review the approach to building, training and testing LLMs, including computing needs and our emerging multi-lab and University collaborative project of developing a trillion-parameter general purpose “foundation” model based on LLM that we can adapt for scientific data integration, data distillation, scientific tasks in design and analysis and scientific hypothesis formation.  It seems clear that trillion parameter models are important and maybe a significant stepping-stone on the path towards Artificial General Intelligence for science.

Back to Session III

HPC and Machine Learning for Molecular Biology: the ADMIRRAL Project*

 

Fred Streitz

Center for Forecasting and Outbreak Analytics (CFA/CDC) and Lawrence Livermore National Laboratory (LLNL/DOE) U.S.A.

 

The combination of high performance computing (HPC) and Machine Learning (ML) has proven to be a fruitful one, as evidenced by the number of scientific disciplines that have seen advances through their joint application. One of the most powerful demonstrations has been in the area of computational biology, where the addition of ML techniques has helped ameliorate the lack of clear mechanistic models and often poor statistics which has impeded progress in our understanding. I will discuss the development of a hybrid ML/HPC approach to investigate the behavior of an oncogenic protein on cellular membranes in the context of the ADMIRRAL (AI-Driven Machine-learned Investigation of RAS-RAF Activation Lifecycle) Project, a collaboration between the US Department of Energy and the National Cancer Institute.

 

*This work was performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344 and under the auspices of the National Cancer Institute (NCI) by Frederick National Laboratory for Cancer Research (FNLCR) under Contract 75N91019D00024. This work has been supported by the Joint Design of Advanced Computing Solutions for Cancer (JDACS4C) program established by the U.S. DOE and the NCI of the National Institutes of Health.

 

Back to Session VIII

HPC Acceleration of Progress in Fusion Energy Prediction & Control Enabled by AI/Deep Learning

 

William Tang

Princeton University, USA

 

This presentation discusses recent HPC advances in the rapidly growing application of AI/Deep Learning to accelerate progress in scientific discovery for Fusion Energy Science. Attention is focused on constraints encountered for existing and expected algorithms and data representations when dealing with the major challenge of prediction and control in magnetically-confined thermonuclear plasmas relevant to the international $25B ITER burning plasma. Associated techniques have enabled new avenues of data-driven discovery in this quest to deliver clean energy as one of the most prominent grand challenges for the world today.

 

Back to Session IV

The Curios Case of Reproducing Scientific Results about Black Holes

 

Michela Taufer

University of Delaware, USA

 

In 2016, the LIGO Collaboration announced the first observation of gravitational waves from a binary black hole merger, known as GW150914. In 2019, the Event Horizon Telescope (EHT) Collaboration  announced the generation of the first image of a black hole, called M87. Both collaborations used large-scale scientific data and workflows to measure significant astrophysical events. Reproducibility remains a challenging aspect of these and other large-scale scientific workflows: reproducibility can be limited by the availability of data, software, platforms, and documentation. To enable the understanding, analysis, and use of the GW150914 and M87 published scientific results, we developed sustainable knowledge necessary to reproduce the projects’ outcome. In this talk, we discuss the challenges we encountered and we share recommendations to make large-scale scientific workflows reproducible. Specifically, we leverage the two projects to investigate the impact of data availability and integrity. Furthermore, we model the GW150914 and M87 workflows and study limitations in terms of software availability, dependencies, configuration, portability, and documentation. Our work can enhance the reproducibility of scientific projects such as the LIGO and EHT, empowering the scientific community (i.e., including postdocs and students, regardless of the domain) to address similar challenges for other projects.

 

Bio: Michela Taufer is an ACM Distinguished Scientist and holds the Jack Dongarra Professorship in High Performance Computing in the Department of Electrical Engineering and Computer Science at the University of Tennessee Knoxville (UTK). She earned her undergraduate degrees in Computer Engineering from the University of Padova (Italy) and her doctoral degree in Computer Science from the Swiss Federal Institute of Technology or ETH (Switzerland). From 2003 to 2004 she was a La Jolla Interfaces in Science Training Program (LJIS) Postdoctoral Fellow at the University of California San Diego (UCSD) and The Scripps Research Institute (TSRI), where she worked on interdisciplinary projects in computer systems and computational chemistry.

 

Michela has a long history of interdisciplinary work with scientists. Her research interests include scientific applications on heterogeneous platforms (i.e., multi-core platforms and accelerators); performance analysis, modeling and optimization; Artificial Intelligence (AI) for cyberinfrastructures (CI); AI integration into scientific workflows, computer simulations, and data analytics. She has been serving as the principal investigator of several NSF collaborative projects. She also has significant experience in mentoring a diverse population of students on interdisciplinary research. Michela’s training expertise includes efforts to spread high-performance computing participation in undergraduate education and research as well as efforts to increase the interest and participation of diverse populations in interdisciplinary studies.

 

Back to Session VII

HPC and Sustainability: The Smarter Path to Zero Emission Computing

 

Scott Tease

Vice President HPC& AI Lenovo

 

Super Computing tackles some of the most challenging tasks on the planet. The work we do in weather forecasting and climate modelling/simulation is helping us understand what the future of our planet looks like and what must be done today to avoid a crisis. We as an HPC community know that it is essential to drive research in a more sustainable way that protects the climate as while we drive the research needed to solve humanity’s greatest challenges. This talk will discuss steps we can take to drive out carbon emissions and lighten our environmental impact as we deploy, use and dispose of IT. We can make a difference today – let’s talk about how to start.

Back to Session II

The road to Zettascale from an application perspective,

and a few other details

 

Philippe Thierry

Sr Principal Engineer, Intel, France

 

As the exascale boundary has recently been crossed, it is time to come back to the question « How can we achieve another 1000x » to reach a ZettaFlops, at least while running a simple benchmark?

If we assume that the size of  computing centers remains roughly constant and that we cannot really increase the energy envelope, or we better decrease it, we  fall back on a  performance/density problem for  all levels that constitute a computer.

The computing unit today is able to reach about 100 TF/s in 1 kW (dp64) ; to reach 100 PF/s in a few years, that translates to 100 Roadrunner (#1 in the top500 of June 2008) or 1 Summit (June 2018) in a socket.

We’ve proven over the years that we can meet and surpass large computing challenges, so we can hold hope; but knowing  the real usage of these machines today, will we be lucky enough to manage to run applications without excessive efficiency loss?

If we consider that the applications and the associated test cases can theoretically scale by simple oversampling (a factor of 10 in the 3 dimensions) and assuming that the numerical schemes and the physics can remain stable, then the problem comes back again to the conservation of the ratios of bandwidth, floating point (and other data types), latencies for scalability of applications, and reduction of the energy needed to move a bit.

It is difficult to predict if the current model of building HPC Supercomputers can  be scaled without new breakthroughs, or if limits will be reached.

A few Angstrom separate us from the size of an atom to make a transistor. So what else?  Silicon photonics, quantum computing, cooling are words that come up frequently as methods to address limits.

In this presentation, we will briefly discuss these points as well as the upcoming initiatives and investments in Europe to put applications and software at the center of the problem when designing new technologies.

Additionally we will focus on performance and power prediction from the SOC to the complete system from an application perspective.

 

Back to Session VIII

Innovating the Next Discontinuity

 

Robert Wisniewski

HPC Architecture Chief, Samsung Electronics, and Samsung’s SAIT Systems, Architecture Lab Head, U.S.A.

 

A growing number of classical HPC applications - modeling and simulation applications - are bottlenecked due to insufficient memory bandwidth. At the same time, AI applications, which are forming an increasingly important part of HPC, and compute in general, are often bottlenecked because of insufficient communication (node to node) bandwidth. In addition, the ability to leverage efficient accelerator cycles for both types of applications is key towards continuing the exponential growth for post-exascale computing. In this talk I will describe the key trends identified above, and discuss the research we are undertaking to design the hardware and software architecture for HPC and AI applications to obtain the next level of exponential increase in performance. I will suggest a path forward based on leveraging tightly integrating memory and compute, and describe the interesting design space that needs to be considered to make this architecture a reality. This capability has the potential to be the next discontinuity in HPC and AI.

 

Back to Session I