EuroHPC Summit Week 2020

Mar 23, 2020, 8:00 AM → Mar 26, 2020, 7:00 PM Europe/Lisbon

Porto, Portugal

The EuroHPC Summit Week (EHPCSW) 2020 will gather the main European HPC stakeholders from technology suppliers and HPC infrastructures to scientific and industrial HPC users in Europe. As in previous years, PRACE, the Partnership for Advanced Computing in Europe, organises the seventh edition of its Scientific and Industrial Conference (PRACEdays20) within the EHPCSW 2020. PRACEdays20 will bring together experts from academia and industry who will present their advancements in HPC-supported science and engineering. The EHPCSW 2020 will provide a great opportunity for the attendees to network.

The 2020 edition of the EuroHPC Summit Week has been cancelled.

The main organisers of the EHPCSW 2020 are the European Extreme Data & Computing Initiative (EXDCI-2), the Partnership for Advanced Computing in Europe (PRACE), and the European Technology Platform for High-Performance Computing (ETP4HPC). The European Commission (EC) will represent the EuroHPC Joint Undertaking in the organisation of the conference. The logistical organisation is supported by a local host: for the 2020 edition this will be Fundação para a Ciência e a Tecnologia - Computação Cientifica Nacional (FCT-FCCN).

Terms & Conditions.

 

Mon, March 23

9:00 AM → 10:00 AM Coffee

10:00 AM → 12:00 PM PRACE Scientific Steering Committee (SSC) (invitation only)

Convener: Matej Praprotnik (Chair of the PRACE SSC)

12:00 PM → 1:00 PM Lunch

1:00 PM → 4:00 PM EuroHPC Infrastructures Advisory Group (INFRAG) meeting (invitation only)

Conveners: Claus-Axel Müller (Gauss Centre for Supercomputing (GCS)), Sinéad Ryan (Trinity College Dublin)

1:00 PM → 4:00 PM EuroHPC Research and Innovation Advisory Group (RIAG) meeting (invitation only)

Conveners: Jean-Pierre Panziera (Atos), Thomas Lippert (FZJ)

1:00 PM → 5:00 PM Joint EuroHPC / GÉANT Meeting (invitation only)

Convener: Vincenzo Capone (GÉANT)

1:00 PM → 4:00 PM PRACE Scientific Steering Committee (SSC) (invitation only)

Convener: Matej Praprotnik (National Institute of Chemistry/University of Ljubljana)

4:00 PM → 4:30 PM Coffee

4:00 PM → 6:00 PM EuroHPC INFRAG/RIAG joint meeting (invitation only)

Conveners: Claus-Axel Müller (Gauss Centre for Supercomputing (GCS)), Jean-Pierre Panziera (Atos)

Tue, March 24

8:30 AM → 10:30 AM Opening & Welcome

Convener: Janne Ignatius (PRACE Council Vice-Chair)

8:30 AM Housekeeping & Social Programme

Speaker: Marjolein Oorsprong (PRACE aisbl)

8:35 AM Chair of the EHPCSW 2020 / PRACEdays20 OPC

Speaker: Serge Bogaerts (PRACE aisbl)

8:40 AM Welcome address - Vice-President National Research Agency FCT

Speaker: Prof. Nuno Feixa Rodrigues (FCT - Fundação para a Ciência e a Tecnologia)

Bio_Photo_Nuno Feixa Rodrigues.pdf

9:15 AM EuroHPC

Speakers: Gustav Kalbe (EuroHPC JU Interim Executive Director), Hertbert Zeisel (Chair of the EuroHPC JU Governing Board)

9:45 AM AI for improving HPC efficiency and energy footprint

Speaker: Michela Milano (University of Bologna)

Abstract_Bio_Photo_Michela Milano.pdf

10:30 AM → 11:00 AM Coffee

11:00 AM → 12:30 PM Plenary

Convener: Jean-Pierre Panziera (Atos)

11:00 AM EOSC

Speaker: John Womersley (EOSC)

11:30 AM BDVA Talk

Speaker: Thomas Hahn (Siemens, president of BDVA)

11:45 AM Computational Materials Chemistry: From Industrial Application to HPC

Speaker: Glenn Jones (Johnson Matthey)

Abstract_Bio_Photo_Glenn Jones.pdf

12:30 PM → 1:00 PM Diversity & Inclusivity in HPC

Conveners: Marjolein Oorsprong (PRACE aisbl), Philippe Segers (GENCI)

12:30 PM The inclusion, with participation, in one of the best indicators, for the health of your society / enterprise

Speaker: Rui Coimbras (EDF)

Bio_Title_Rui Coimbras.pdf

1:00 PM → 2:30 PM Lunch

2:30 PM → 4:00 PM Computational Materials Science towards the Exascale: performance portability and use cases

Materials design at the exascale: success cases using HPC and HTC

Performance portability of legacy scientific codes on HPC architectures, co-design, and energy efficiency

In today's data-driven world, High-Performance Computing (HPC) is an emerging reference platform that drives scientific research and enables industrial innovations. This is articularly true for the research in Materials Science, in which, by simply applying the equations of quantum mechanics in large HPC calculations, scientists are able to study and design new materials, before running actual experiments, decreasing costs and enhancing performance.

MaX CoE – ‘Materials design at the eXascale’ - is devoted to enable materials modelling, simulations, discovery and design at the frontiers of the current and future pre-exascale and exascale HPC architectures.

MaX workshop, that gathers scientists and organisations active in the field of materials modelling, aims at discussing the performance and portability of MaX flagship codes (Quantum ESPRESSO, Yambo, Siesta, Fleur, CP2K, BigDFT and AiiDA) and the recent advances in computational materials research based on quantum physics and electronic structure methods.
In particular we will focus on:

● advances in high-performance computing for materials science,
● high throughput computing for materials discovery,
● new avenues from data analytics/artificial intelligence in materials science,
● trends in high-performance computing and codesign towards exascale,
● energy efficiency strategy in HPC systems
● novel algorithms for first-principles simulations.

Furthermore, some success cases of materials simulations will be presented.

Conveners: Andrea Ferretti (CNR Nano), Elisa Molinari (University of Modena and Reggio Emilia), Ivan Marri (University of Modena and Reggio Emilia), Maria Celeste Maschio (CNR Nano)

2:30 PM Co-designing and porting MaX codes to ARM SVE and heterogeneous architecture

Speaker: Carlo Cavazzoni (CINECA)

Abstract_CarloCavazzoni.pdf

2:55 PM Software engineering towards exascale: domain specific libraries, communication optimality, and machine learning

Speaker: Joost Vandevondele (ETH Zürich)

3:20 PM Performance portability of GW and many-body perturbation theory codes: the case of Yambo on GPUs

Speaker: Nicola Spallanzani (CNR Nano)

Abstract_NicolaSpallanzani.pdf

3:40 PM Parallelization and optimization of the FLEUR code: new possibilities for all-electron Density Functional Theory

Speaker: Uliana Alekseeva

2:30 PM → 4:00 PM EXDCI-2 Workshop on AI and HPC convergence

Machine/Deep Learning (ML/DL) and Artificial Intelligence (AI) have evolved over the last years as disruptive technologies and are extensively used by several distinct communities to develop scientific and technological approaches, targeting different application domains. Today a trend is emerging toward a convergence between ML/DL, AI and HPC with high benefits expected from this cross-fertilization, in terms of hardware, software and applications.

The aim of the workshop is to provide concrete feedback about how deep AI has permeated into the HPC ecosystem and viceversa.

The workshop will focus on the convergence between HPC and AI, encouraging analysis and discussion in particular, for a deeper understanding of the reasons why HPC and HTC need AI approaches and why AI needs HPC. To give just some examples, HPC & HTC need AI approaches (I) for inferring data flows from large scale scientific instruments, to better manage stream access and support end to end workflows, (II) for hybrid modelling, based on combining deterministic modelling and machine learning components and in general (III) for coupling learnt models and simulation codes toward cognitive simulation, (IV) for in-situ and in-transit) post processing of numerical simulations, to optimise data movement and minimise energy, (V) for better exploiting systems and computing centres, to improve security, have a preventive maintenance, optimise the infrastructure and develop AI driven schedulers. At the same time, AI needs HPC, (I) to scale up the learning phase of NN/DL networks, due to the availability of the huge amount of data, (II) to develop Auto DL/ML networks and in general Auto AI, allowing auto-tuning of the choice of models, (III) to use federated/transfer learning solutions, (IV) to develop new AI methods, such as eXplainable Artificial intelligence (XAI) approaches.

The workshop will involve representatives from FETHPC projects as well as from the Center of Excellence (CoEs) working in the area of AI and HPC convergence. Link to the CoEs will be established via FocusCoE representatives as done in the previous EXDCI2 Workshop on HPDA (2019). Moreover, other initiatives like BDVA and AI4EU will be taken into consideration due to their role in the overall European landscape on the workshop topics.

After the end of the workshop, the organizing committee will evaluate the possibility to prepare a journal contribution titled “A survey about EU key initiatives and efforts on HPC & AI convergence”, based on the gathered workshop feedback and results as well as on the speakers availability to join the editorial team of the manuscript.

Convener: Mathis Bode (RWTH Aachen University)

2:30 PM HPDA for Biomolecular Research:The BioExcel Case

Speaker: Rosa Badia (BSC)

Abstract_Badia_Rosa.pdf

CV_Badia_Rosa.pdf

2:45 PM Towards the next level of use of HPC in Engineering

Speaker: Bastian Koller (HLRS)

Abstract_Koller_Bastian.pdf

CV_Koller_Bastian.pdf

3:00 PM Efficient CNN for space data classification on EuroEXA multi-FPGA platform

Speaker: Iakovos Mavroidis (ICS-FORTH)

Abstract_Mavroidis_Iakovos .pdf

CV_Mavroidis_Iakovos.pdf

3:15 PM Using AI models and AI-supported workflows for solving Global Challenges

Speaker: Francisco Javier Nieto (ATOS)

3:30 PM Elastic Ensemble Run Data Processing with Melissa

Speaker: Bruno Raffin (INRIA)

Abstract_Raffin_Bruno.pdf

CV_Raffin_Bruno.pdf

3:45 PM Towards the use of HPC for AI workflows in HEP

Speaker: Maria Girone (CERN)

CV_Girone_Maria.pdf

2:30 PM → 4:00 PM EXDCI-2 Workshop on emerging technologies

Today HPC system architecture is dominated by standard CPU+GPU solution. This architecture has been effective to propose the performance increase requested by HPC users while challenging them to exploit the massive parallelism and heterogeneity offered by this solution. We foresee little changes in the 2020-2023 time frame with the first exascale systems based on this approach. After to sustain the growth of number of operations per watt, new solutions will have to be found as the Moore’s law will be fading and Denard’s scaling gone.

Progresses can be made in three axis:

• New architectures
• New data representation schemes
• New technologies (compared to CMOS)

Most of the new approaches is a combination of the three (or at least of two of them). The workshop will introduce the potential technologies paths and then focus on three technologies that could be integrated in HPC systems in the coming years. A discussion with the audience will conclude the workshop.

• Introduction potential technologies paths for future HPC systems
• (TBC)
• Photonics technologies for HPC systems (Tolga Tekin Fraunhofer)
• Integration dimension (Denis Dutoit CEA/Leti)
• Discussion

Conveners: Jean-François Lavignon (Technology Strategy), Marc Duranton (CEA)

2:30 PM → 4:00 PM EuroHPC State-of-Play

The EuroHPC state of play session will be the meeting point for participants interested to get updated on the JU’s activities in the past period and what lies ahead in the coming months. It will cover both the Infrastructure and Research and Innovation pillars of the JU. The tightly packed session includes presentations from the EuroHPC officers on the currently running procurements, the R&I calls closed in 2019 and the upcoming Work Programme 2020 calls. The chairs of Research and Innovation (RIAG) and Infrastructure (INFRAG) Advisory Groups will share their experience and vision for EuroHPC. INFRAG will also report on their preparatory work on the definition of the Access Policy for the EuroHPC supercomputers currently under procurement. Finally, the Hosting Entities of the 3 pre-exascale EuroHPC systems (LUMI, MN5 and Leonardo) will provide an overview of the system architectures, the target application domains and their planned deployment timeline.

Convener: Evangelos Floros (EuroHPC)

2:30 PM EuroHPC JU Overview

JU state of play. 2019 Call for Tenders and R&I Calls status

2:45 PM EuroHPC WP2020

Upcoming calls in WP2020

3:00 PM RIAG report and vision

RIAG state-of-play

Speaker: Jean-Pierre Panziera (Atos)

3:10 PM INFRAG report and vision

INFRAG state-of-play

Speaker: Claus-Axel Müller (Gauss Centre for Supercomputing (GCS))

3:20 PM Access Policy

Findings of the INFRAG Access Policy Working Group

Speaker: Sergi Girona (BSC)

3:30 PM LUMI supercomputer

LUMI supercomputer report

3:40 PM MN5 supercomputer

Marenostrum5 supercomputer report

3:50 PM Leonardo supercomputer

Leonardo supercomputer

2:30 PM → 4:00 PM PRACEdays20 Scientific Parallel Track "Other domains"

2:30 PM Inclusion of explicit tidal motions in ocean simulations of the North Atlantic at unprecedently high resolution

Speaker: Laurent Brodeau (Ocean Next)

Abstract_Brodeau_Laurent.pdf

CV_Brodeau_Laurent.pdf

Photo_Brodeau_Laurent.jpg

2:50 PM Molecular simulations of cellular membranes: coming of age?

Speaker: Stefano Vanni (University of Fribourg)

Abstract_Vanni_Stefano.pdf

CV_Vanni_Stefano.pdf

Photo_Vanni_Stefano.jpg

3:10 PM Performance Evaluation of Artificial Intelligence in Science and Engineering

Speaker: Ezhilmathi Krishnasamy (Luxembourg University)

Abstract_Krishnasamy_Ezhilmathi.pdf

CV_Krishnasamy_Ezhilmathi.pdf

Photo_Krishnasamy_Ezhilmathi.jpg

3:30 PM The Chaotic Life of Mayonnaise

Speaker: Ivan Girotto (The Abus Salam, International Centre for Theoretical Physics)

Abstract_Girotto_Ivan.pdf

CV_Girotto_Ivan.pdf

Photo_Girotto_Ivan.jpg

4:00 PM → 4:30 PM Coffee

4:30 PM → 6:10 PM Computational Materials Science towards the Exascale: performance portability and use cases

Materials design at the exascale: success cases using HPC and HTC

Performance portability of legacy scientific codes on HPC architectures, co-design, and energy efficiency

In today's data-driven world, High-Performance Computing (HPC) is an emerging reference platform that drives scientific research and enables industrial innovations. This is articularly true for the research in Materials Science, in which, by simply applying the equations of quantum mechanics in large HPC calculations, scientists are able to study and design new materials, before running actual experiments, decreasing costs and enhancing performance.

MaX CoE – ‘Materials design at the eXascale’ - is devoted to enable materials modelling, simulations, discovery and design at the frontiers of the current and future pre-exascale and exascale HPC architectures.

MaX workshop, that gathers scientists and organisations active in the field of materials modelling, aims at discussing the performance and portability of MaX flagship codes (Quantum ESPRESSO, Yambo, Siesta, Fleur, CP2K, BigDFT and AiiDA) and the recent advances in computational materials research based on quantum physics and electronic structure methods.
In particular we will focus on:

● advances in high-performance computing for materials science,
● high throughput computing for materials discovery,
● new avenues from data analytics/artificial intelligence in materials science,
● trends in high-performance computing and codesign towards exascale,
● energy efficiency strategy in HPC systems
● novel algorithms for first-principles simulations.

Furthermore, some success cases of materials simulations will be presented.

Conveners: Andrea Ferretti (CNR Nano), Elisa Molinari (University of Modena and Reggio Emilia), Ivan Marri (University of Modena and Reggio Emilia), Maria Celeste Maschio (CNR Nano)

4:30 PM High-throughput computational discovery and characterization of novel low-dimensional materials for applications in energy and electronics

Speaker: Davide Campi (EPFL)

5:00 PM Addressing electrified water-metal interfaces at the atomic level with TranSIESTA

Speaker: Pablo Ordejón (CSIC-BIST)

Abstract_PabloOrdejòn.pdf

5:30 PM Organic-metal interfaces studied using DFT and GW ab initio methods with Quantum ESPRESSO and Yambo

Speaker: Claudia Cardoso (CNR Nano)

Abstract_ClaudiaCardoso.pdf

4:30 PM → 6:00 PM EXDCI-2 Workshop on AI and HPC convergence

Machine/Deep Learning (ML/DL) and Artificial Intelligence (AI) have evolved over the last years as disruptive technologies and are extensively used by several distinct communities to develop scientific and technological approaches, targeting different application domains. Today a trend is emerging toward a convergence between ML/DL, AI and HPC with high benefits expected from this cross-fertilization, in terms of hardware, software and applications.

The aim of the workshop is to provide concrete feedback about how deep AI has permeated into the HPC ecosystem and viceversa.

The workshop will focus on the convergence between HPC and AI, encouraging analysis and discussion in particular, for a deeper understanding of the reasons why HPC and HTC need AI approaches and why AI needs HPC. To give just some examples, HPC & HTC need AI approaches (I) for inferring data flows from large scale scientific instruments, to better manage stream access and support end to end workflows, (II) for hybrid modelling, based on combining deterministic modelling and machine learning components and in general (III) for coupling learnt models and simulation codes toward cognitive simulation, (IV) for in-situ and in-transit) post processing of numerical simulations, to optimise data movement and minimise energy, (V) for better exploiting systems and computing centres, to improve security, have a preventive maintenance, optimise the infrastructure and develop AI driven schedulers. At the same time, AI needs HPC, (I) to scale up the learning phase of NN/DL networks, due to the availability of the huge amount of data, (II) to develop Auto DL/ML networks and in general Auto AI, allowing auto-tuning of the choice of models, (III) to use federated/transfer learning solutions, (IV) to develop new AI methods, such as eXplainable Artificial intelligence (XAI) approaches.

The workshop will involve representatives from FETHPC projects as well as from the Center of Excellence (CoEs) working in the area of AI and HPC convergence. Link to the CoEs will be established via FocusCoE representatives as done in the previous EXDCI2 Workshop on HPDA (2019). Moreover, other initiatives like BDVA and AI4EU will be taken into consideration due to their role in the overall European landscape on the workshop topics.

After the end of the workshop, the organizing committee will evaluate the possibility to prepare a journal contribution titled “A survey about EU key initiatives and efforts on HPC & AI convergence”, based on the gathered workshop feedback and results as well as on the speakers availability to join the editorial team of the manuscript.

Convener: Stephane Requena (GENCI)

4:30 PM Maestro: Orchestrating Data for HPC (and AI) Applications

Speaker: Dirk Pleiter (FZJ)

Abstract_Pleiter_Dirk.pdf

CV_Pleiter_Dirk.pdf

4:45 PM The Combination of Real-Time Data, HPC, and Interactive Visualization in the VESTEC project

Speaker: Max Kontak (DLR)

Abstract_Kontak_Max.pdf

CV_Kontak_Max.pdf

5:00 PM ASPIDE: A data-oriented programming model for AI/HPC Convergence

Speaker: Jesus Carretero (UC3M)

Abstract_Carretero_Jesus.pdf

CV_Carretero_Jesus.pdf

5:15 PM SAGE -Object Storage Platform for HPC & AI

Speaker: Sai Narasimhamurthy (Seagate Technology, LLC)

Abstract_Narasimhamurthy_Sai.pdf

CV_Narasimhamurthy_Sai.pdf

5:30 PM Subgrid Modeling of Turbulent Reactive Multiphase Flows Using Physics-Informed Enhance Super-Resolution Generative Adversarial Networks

Speaker: Mathis Bode (RWTH Aachen University)

Abstract_Bode_Mathis.pdf

CV_Bode_Mathis.pdf

5:45 PM The New HPC: Accelerating AI, HPC and Visualisation

Speaker: Tim Lanfear (NVIDIA)

Abstract_Lanfear_Tim.pdf

CV_Lanfear_Tim.pdf

4:30 PM → 6:30 PM EuroHPC Workshop on Industrial User Needs

4:30 PM → 6:30 PM European HPC Ecosystem Meeting

PRACE has recently engaged in the coordination of European HPC services and activities through a series of events and workshops. This includes access to HPC systems, HPC user support, training in HPC, HPC policy, HPC technology development, HPC operations and dissemination.

The objective of this session is to present and discuss the final conclusions of this initiative with the key stakeholders. The conclusions from this session will be used to structure the new "HPC in Europe" services portal that will collect the results from this initiative, with a special focus on User Support and Training.

Answering the policies of the European Comission ('High Performance Computing: Europe's place in a Global Race', followed by 'European Cloud Initiative - Building a competitive data and knowledge economy in Europe'), the European HPC stakeholders have recently engaged in the coordination of their HPC services and activities, with the objective to set the role and responsibilities of each major European HPC actor with regards to Access to HPC systems, HPC user support, Training in HPC, HPC policy, HPC technology development, HPC operations and dissemination. To this end, a working group led by PRACE distributed a self-evaluation survey to more than 80 institutions, in order to identify their services and competences in HPC. The first analysis of the results was presented and discussed during the EuroHPC Summit Week 2019 in Poznan.

In this session, the final conclusions of this working group will be presented and discussed, including a proposal for the boundaries and responsibilities in Support to HPC users and Training in HPC among PRACE, the European Centres of Excellence in HPC and other actors. PRACE will organize this BoF and invite the relevant stakeholders to controbute.

The ultimate goal of this session will be to analyse colectively the conclusions of the working group, which will define the structure of the new "HPC in Europe" services portal. The new HPC in Europe portal will provide a framework to collect the complete catalogue of HPC services throughout Europe, following a user-driven and audience-oriented approach. A white paper collecting the conclusions of this BoD will be developed and published to share the results with the stakeholders.

Agenda:
1) The European HPC Ecosystem Follow-Up Report – Approval of this document
2) Live demo of the HPC in Europe portal
3) Discuss improvements
4) Collect new ideas

The actual versions of the European HPC Ecosystem Follow-Up Report and the HPC in Europe portal will be provided in advance in order to support the discussion and feedback will be requested.

Convener: Oriol Pineda (BSC)

4:30 PM → 6:00 PM PRACEdays20 Scientific Parallel Track "Other domains"

4:30 PM Chasing new particles with GAMBIT and HPC

Speaker: Anders Kvellestad (University of Oslo)

Abstract_Kvellestad_Anders.pdf

CV_Kvellestad_Anders.pdf

Photo_Kvellestad_Anders.jpeg

4:50 PM HPC challenges of running large ensemble simulations in a Tier-0 machine to model global dust mineralogy.

Speaker: Francesca Macchia (Barcelona Supercomputing Center (BSC))

Abstract_Macchia_Francesca.pdf

CV_Macchia_Francesca.pdf

Photo_Macchia_Francesca.jpg

5:10 PM Fine-tuning the Photosynthetic Light Harvesting Apparatus by Molecular Simulations

Speaker: Vangelis Daskalakis (Cyprus University of Technology)

Abstract_Daskalakis_Vangelis.pdf

CV_Daskalakis_Vangelis.pdf

Photo_Daskalakis_Vangelis.jpg

5:30 PM 3D Blood Flow for the Virtual Human with HemeLB: Steps Towards the Exascale

Speaker: Jon McCullough (University College London)

Abstract_McCullough_Jon.pdf

CV_McCullough_Jon.pdf

Photo_McCullough_Jon.png

4:30 PM → 6:00 PM Pitch your scientific work across different audiences!

• Short session, as part of the collaboration activities between HiPEAC, Eurolab4HPC, PRACE university programme and EXDCI to help students from the poster session to present their research. In this session students will be briefly introduced how to prepare and structure a short pitch and will practice to present their research across different audiences.

• Pre-Requisites: No technical pre-requisite. No-poster needed. Best mood to practice, discuss and contribute

Convener: Xavier Salazar (HiPEAC / Eurolab4HPC / BSC)

6:00 PM → 8:30 PM EuroHPC Summit Week Networking Reception

6:00 PM → 8:30 PM PRACEdays20 Poster Session

Wed, March 25

8:30 AM → 8:45 AM Opening & Housekeeping

8:45 AM → 10:30 AM BDEC Open Plenary

10:30 AM → 11:00 AM Coffee

11:00 AM → 11:30 AM Exploiting exascale computing to unravel multi-physics and multi-scale earthquake dynamics and seismic wave propagation

Convener: Alice-Agnes Gabriel ( Department of Earth and Environmental Sciences Geophysics, Ludwig-Maximilians-University of Munich (LMU))

Abstract_Photo_Alice-Agnes Gabriel.pdf

11:30 AM → 1:00 PM PRACEdays User Forum Open Session

The PRACE User Forum provides a communication channel between PRACE and the researchers and users involved in PRACE computational projects. Its aim is to identify generic issues and needs that users encounter during all steps related to computational projects awarded by PRACE. The yearly general assembly is held during PRACEdays.
Europe will soon have a new infrastructure of accelerator-based pre-exascale machines. The challenge is to assist in transitioning the many research groups in Europe that deliver excellent science and development for the industry but rely on traditional multi-core architecture. In the open session, we will give a user perspective on HPC and the challenges that we see in the near future and provide a forum where users of the PRACE infrastructure can voice their opinion and bring up issues. The open discussion will also include a discussion of the Peer Review process by Maria Grazia Giuffreda (tbc) and Oriol Pineda (tbc).

Convener: Troels Haugbølle (Niels Bohr Institute Københavns Universitet)

1:00 PM → 2:30 PM Lunch

1:30 PM → 3:30 PM Deep Learning with Tensorflow, Keras and Python: Hands-on workshops for students - selected students only

Learn how to use Tensorflow and Keras to build own Deep Neural Networks (DNNs) and train them in the HPC realm. We will explain how DNNs work in a nutshell and provide hands-on examples you can use as starting point after the course for your own projects.

Furthermore, we will discuss the differences to train on different HPC architectures (CPU and GPU). We will also give you an overview on the metrics used to evaluate the performance of DNNs and share best known methods with you on how to prepare training data sets for best performance.

Convener: Georg Zitzlsberger ( IT4Innovations)

1:30 PM → 3:30 PM Fundamentals of Accelerated Computing with OpenACC: Hands-on workshops for students - selected students only

In this workshop you learn the basics of OpenACC, a high-level programming language for programming on GPUs. Discover how to accelerate the performance of your applications beyond the limits of CPU-only programming with simple pragmas. In this workshop, you will learn:

How to profile and optimise your CPU-only applications to identify hot spots for acceleration
How to use OpenACC directives to GPU accelerate your codebase
How to optimise data movement between the CPU and GPU accelerator

Upon completion, you will be ready to use OpenACC to GPU accelerate CPU-only applications. The lectures are interleaved with many hands-on sessions using Jupyter notebooks on fully configured GPU-accelerated cloud resources.

The workshop is co-organised by LRZ, PRACE and NVIDIA Deep Learning Institute (DLI).

Convener: Volker Weinberg (LRZ)

2:30 PM → 4:00 PM 2nd European HPC Training Stakeholder Workshop (FocusCoE) & EuroHPC "Development of HPC Skills" (invitation only)

2:30 PM → 4:00 PM Bringing your authentic self to work

This session is meant to raise awareness and exchange experiences and opinions. Instead of trying to come up with superficial or cosmetic solutions, the idea is to make people think and discuss. Diversity is about ideas, not about demographic characteristics. Inclusivity is about respect and openness. In addition to focusing on diversity, organisations need to create inclusive environments for employees to feel comfortable bringing their authentic selves to work. For instance, by using strategic using language that says “welcome, you belong here”. Not “enter at your risk” or “those who enter here, abandon all authenticity”.

Has your organisation embraced diversity (also known as a colour-blind ideology) or strongly embraced differences (also known as a multicultural ideology)? Is it enough to be respectful and open, or does a safe working environment, where everyone can be their authentic self (at feel “at home”), need more than that?

Conveners: Marjolein Oorsprong (PRACE aisbl), Philippe Segers (GENCI)

2:30 PM Opening & Welcome

Speaker: Philippe Segers (GENCI)

2:40 PM Equality & Diversity in STEM: changing the culture

Speaker: Inês Crespo (Roslin Institute)

Abstract_Bio_Photo_Ines Crespo.pdf

3:00 PM The AdvCompBio Conference

Speaker: Nataly Buslón Valdez (BSC)

Abstract_Bio_Photo_Nataly Buslon.pdf

3:20 PM Title to be confirmed

Speaker: Alfredo Carpineti (IFL Science)

Abstract_Bio_Photo_Alfredo Carpineti.pdf

3:40 PM Shoe Shuffle Discussion

Moderator: Marjolein Oorsprong, PRACE aisbl

The last 20 minutes of the session will be used to do a shoe shuffle discussion, where the panel members react to statements by moving to the left (disagree) or right (agree) of the discussion leader. They are then asked to comment on their “movement” and in reaction to this the others can then move again. The audience can participate after every statement. The discussion leader can ask members of the audience to comment as well. The idea is not to have an “adversarial discussion” (some are right, others are wrong), but a discussion that allows “argument repair” where the proponents of a position revise their argument in response to criticism. We are not looking for truth, we are looking for wisdom.

2:30 PM → 4:00 PM European Urgent Computing Workshop

Several high-impact phenomena require of on demand solutions of HPC applications under strong time constrains. Examples include, among other, affectations from geohazards (e.g. propagation of tsunami waves, earthquakes, volcanic eruptions), atmospheric or ocean toxic dispersal (e.g. incidental nuclear release, pathogen emission), or extreme weather events (e.g. triggering large flooding). Prompt reaction to these scenarios requires tier-0 computing infrastructures, complicated data workflows, and engagement with stakeholders formally involved in emergency management (e.g. the European Emergency Response Coordination Centre; ERCC) through shared protocols and policies. Interest to set up Urgent Computing (UC) services in Europe is growing trough the ChEESE CoE, PRACE and also recommendations of the EuroHPC INFRAG Access Policy Group.

Following the Workshop about Urgent HPC held during SC19, we would like to organize a similar one with European HPC stakeholders based on the need for these services in Europe. This half-day workshop would have around 5-6 talks of 20 minutes each, including other European HPC-related initiatives such as the ESiWACE CoE, VESTEC and Lexis projects. The event will finish with an interactive discussion panel on the subject of the need for HPC in urgent decision making. The feedback will be reported to the EC in a joint report or common white paper by various parties involved in this European workshop.

Convener: Arnau Folch (Barcelona Supercomputing Center (BSC))

2:30 PM Welcome message

2:40 PM HPC and HPDA Applications for Radiological Dispersion in the Atmosphere

Speaker: Antonio Cervone (ENEA)

3:00 PM HPC for Urgent Tsunami Computation

Speaker: Steven Gibbons (NGI)

3:20 PM Urgent Computing for Seismic Hazard Assessment: Progress and Challenges

Speaker: Marta Pienkowska-Cote (ETH)

3:40 PM Frontiers and Challenges in the Operational Forecast of Volcanic Ash

Speakers: Arnau Folch (Barcelona Supercomputing Center (BSC)), Sara Barsotti (Icelandic MET Office)

2:30 PM → 4:00 PM HPC, Big Data, IoT and AI future industry-driven collaborative strategic topics

PRACE recently engaged in the coordination of European HPC services and activities through a series of events and workshops. This includes access to HPC systems, HPC user support, training in HPC, HPC policy, HPC technology development, HPC operations and dissemination. The objective of this session is to present and discuss the final conclusions of this initiative with the key stakeholders, including the new "HPC in Europe" services portal, arising from these coordination efforts.

Answering the policies of the European Commission ('High Performance Computing: Europe's place in a Global Race', followed by 'European Cloud Initiative - Building a competitive data and knowledge economy in Europe'), the European HPC stakeholders have recently engaged in the coordination of their HPC services and activities, with the objective to set the role and responsibilities of each major European HPC actor with regards to Access to HPC systems, HPC user support, Training in HPC, HPC policy, HPC technology development, HPC operations and dissemination. To this end, a working group led by PRACE distributed a self-evaluation survey to more than 80 institutions, in order to identify their services and competences in HPC. The first analysis of the results was presented and discussed during the EuroHPC Summit Week 2019 in Poznan. A follow-up session was held in the form of a BoF during SC19.

In this session, the final conclusions of this working group will be presented and discussed, including a proposal for the boundaries and responsibilities in Support to HPC users and Training in HPC among PRACE, the European Centres of Excellence in HPC and other actors. The ultimate goal of this session will be to analyse collectively the conclusions of the working group and engage the utilisation of the new HPC in Europe portal as a framework to collect the complete catalogue of HPC services throughout Europe, following a user-driven and audience-oriented approach.

Convener: Maria Perez (Universidad Politécnica de Madrid and BDVA)

2:30 PM → 4:00 PM PRACEdays20 Parallel track "Industry"

Convener: Lee Margetts (Chair of the PRACE IAC)

2:30 PM EPI common platform for a heterogeneous and energy-efficient European processor

Speaker: Denis Dutoit (CEA)

Abstract_Bio_Photo_ Denis Dutoit.pdf

2:50 PM High-Fidelity High-Performance Modelling of Renewable Energy Systems

Speaker: Guilherme Nuno Vasconcelos Beleza Vaz (WavEC-Offshore Renewables)

Abstract_Vasconcelos_Beleza_Vaz_Guilherme_Nuno.pdf

CV_Vasconcelos_Beleza_Vaz_Guilherme_Nuno.pdf

Photo_Vasconcelos_Beleza_Vaz_Guilherme_Nuno.jpg

3:10 PM Topology optimization of steel-box girders in cable supported bridges

Speaker: Niels Aage (Technical University of Denmark)

Abstract_Aage_Niels.pdf

CV_Aage_Niels.pdf

Photo_Aage_Niels.jpg

3:30 PM Aeronautics Large-scale Pilot in Lexis: context, objectives and first outcomes

Speaker: Donato Magarielli (GE AVIO SRL)

Abstract_Magarelli_Donato.pdf

CV_Magarielli_Donato.pdf

2:30 PM → 4:00 PM PRACEdays20 Scientific Parallel Track "Astrophysics"

2:30 PM Multi-scale simulations of the formation of early cosmic structures and the reionization of the universe

Speaker: Ilian Iliev (University of Sussex)

Abstract_Iliev_Ilian.pdf

CV_PRACEdays_shortCV_iliev.pdf

Photo_Iliev_Ilian.jpg

2:50 PM Interplay of Turbulence and Reconnection for Particle Acceleration in Astrophysical Systems

Speaker: Giovanni Lapenta (KU Leuven)

Abstract_Lapenta_Giovanni.pdf

CV_Lapenta_Giovanni.pdf

Photo_Lapenta_Giovanni.jpeg

3:10 PM Coding the Cosmos: A New Generation of Superstring Simulations

Speaker: Carlos Martins (University of Porto)

Abstract_Martins_Carlos.pdf

Bio_Martins_Carlos.pdf

Photo_Martins_Carlos_web.jpg

3:30 PM Energy Transfer across Boundary Layers in the Earth’s Magnetosphere

Speaker: Takuma Nakamura (Austrian Academy of Sciences)

Abstract_Nakamura_Takuma.pdf

CV_Nakamura_Takuma.pdf

Photo_Nakamura_Takuma.jpg

2:30 PM → 4:00 PM PRACEdays20 Scientific Parallel Track "Energy / Renewable Energy"

2:30 PM Turbulent/non-turbulent interfaces in Newtonian and viscoelastic fluids

Speaker: Carlos Silva (Instituto Superior Técnico/University of Lisbon)

Abstract_Silva_Carlos.pdf

CV_Silva_Carlos.pdf

Photo_Silva_Carlos.jpeg

2:50 PM Nanofluidic water transport for blue energy conversion

Speaker: Gabriele Tocci (University of Zurich)

Abstract_Tocci_Gabriele.pdf

CV_Tocci_Gabriele.pdf

Photo_Tocci_Gabriele.jpeg

3:10 PM Predictive computational approaches to complex excited state phenomena in functional materials

Speaker: Sivan Refaely-Abramson (Weizmann Institute of Science)

Abstract_Refaely-Abramson_Sivan.pdf

CV_Refaely-Abramson_Sivan.pdf

Photo_Refaely-Abramson_Sivan.jpg

3:30 PM QMC for selective hydrogen production on platinum catalys

Speaker: Philip Hoggan (Institut Pascal)

Abstract_Philip_Hoggan.pdf

CV_Philip_Hoggan.pdf

Photo_Philip_Hoggan.jpg

3:45 PM → 5:45 PM Fundamentals of Accelerated Computing with CUDA C/C++: Hands-on workshops for students - selected students only

The CUDA computing platform enables the acceleration of CPU-only applications to run on the world’s fastest massively parallel GPUs. Experience C/C++ application acceleration by:

Accelerating CPU-only applications, and refactoring them to run in parallel on GPUs
Utilizing essential CUDA memory management techniques to optimise accelerated applications
Exposing accelerated application potential for concurrency and exploiting it with CUDA streams
Leveraging command line and visual profiling to guide and check your work

Upon completion, you will be able to accelerate and optimise existing C/C++ CPU-only applications using the most essential CUDA tools and techniques. You will understand an iterative style of CUDA development that will allow you to ship accelerated applications fast. The lectures are interleaved with many hands-on sessions using Jupyter notebooks on fully configured GPU-accelerated cloud resources.

The workshop is co-organised by LRZ, PRACE and NVIDIA Deep Learning Institute (DLI).

Convener: Volker Weinberg (LRZ)

3:45 PM → 5:45 PM Machine Learning with scikit-learn and Python: Hands-on workshops for students - selected students only

Learn how to use the most important Machine Learning (ML) methods scikit-learn offers, such as classification, clustering, regression, dimensionality reduction and visualization.

For every category, we will provide hands-on examples from different problem domains. We also visualize and explain the most important ML methods to help you decide where to use them for your own projects. Last but not least, we show you what's needed to run ML with scikit-learn efficiently on HPC architectures.

Convener: Georg Zitzlsberger ( IT4Innovations)

4:00 PM → 4:30 PM Coffee

4:30 PM → 6:00 PM 2nd European HPC Training Stakeholder Workshop (FocusCoE) & EuroHPC "Development of HPC Skills" (invitation only)

4:30 PM → 6:00 PM European Urgent Computing Workshop

Several high-impact phenomena require of on demand solutions of HPC applications under strong time constrains. Examples include, among other, affectations from geohazards (e.g. propagation of tsunami waves, earthquakes, volcanic eruptions), atmospheric or ocean toxic dispersal (e.g. incidental nuclear release, pathogen emission), or extreme weather events (e.g. triggering large flooding). Prompt reaction to these scenarios requires tier-0 computing infrastructures, complicated data workflows, and engagement with stakeholders formally involved in emergency management (e.g. the European Emergency Response Coordination Centre; ERCC) through shared protocols and policies. Interest to set up Urgent Computing (UC) services in Europe is growing trough the ChEESE CoE, PRACE and also recommendations of the EuroHPC INFRAG Access Policy Group.

Following the Workshop about Urgent HPC held during SC19, we would like to organize a similar one with European HPC stakeholders based on the need for these services in Europe. This half-day workshop would have around 5-6 talks of 20 minutes each, including other European HPC-related initiatives such as the ESiWACE CoE, VESTEC and Lexis projects. The event will finish with an interactive discussion panel on the subject of the need for HPC in urgent decision making. The feedback will be reported to the EC in a joint report or common white paper by various parties involved in this European workshop.

Convener: Arnau Folch (Barcelona Supercomputing Center (BSC))

4:30 PM Preparing HPC for Future Pandemic Virus Outbreaks

Speaker: Victor Guallar (BSC)

4:50 PM Extreme-Scale Computing for the Advanced Prediction of Weather Extremes

Speaker: Peter Bauer (ECMWF)

5:10 PM European Projects Panel Discussion About Urgent Computing

Speakers: Arnau Folch (Barcelona Supercomputing Center (BSC)), Max Kontak (DLR), Peter Bauer (ECMWF), Thierry Goubier (CEA-LIST)

5:30 PM Report and Recommendations

4:30 PM → 6:00 PM Fenix: A novel approach to federated supercomputing e-infrastructures

The session provides an overview over the Fenix architecture, available and upcoming resources as well as the resource access mechanisms. Details on how to request resources are also provided. The session will show that Fenix enables science, as highlighted by lightning talks from users of the Fenix infrastructure.

https://fenix-ri.eu/events/eurohpc-summit-week-2020

Convener: Dirk Pleiter (FZJ)

4:30 PM Fenix infrastructure architecture and services

Speaker: Dirk Pleiter (FZJ)

5:00 PM Fenix AAI

Speaker: Michele Carpene (CINECA)

5:10 PM Access to Fenix resources

Speaker: Cristiano Padrin (CINECA)

5:20 PM Fenix User Forum

Speaker: Renata Giménez (BSC)

5:30 PM Discussion and questions

Speaker: Jean-Philippe Nomine (CEA)

4:30 PM → 6:00 PM HPC, Big Data, IoT and AI future industry-driven collaborative strategic topics

PRACE recently engaged in the coordination of European HPC services and activities through a series of events and workshops. This includes access to HPC systems, HPC user support, training in HPC, HPC policy, HPC technology development, HPC operations and dissemination. The objective of this session is to present and discuss the final conclusions of this initiative with the key stakeholders, including the new "HPC in Europe" services portal, arising from these coordination efforts.

Answering the policies of the European Commission ('High Performance Computing: Europe's place in a Global Race', followed by 'European Cloud Initiative - Building a competitive data and knowledge economy in Europe'), the European HPC stakeholders have recently engaged in the coordination of their HPC services and activities, with the objective to set the role and responsibilities of each major European HPC actor with regards to Access to HPC systems, HPC user support, Training in HPC, HPC policy, HPC technology development, HPC operations and dissemination. To this end, a working group led by PRACE distributed a self-evaluation survey to more than 80 institutions, in order to identify their services and competences in HPC. The first analysis of the results was presented and discussed during the EuroHPC Summit Week 2019 in Poznan. A follow-up session was held in the form of a BoF during SC19.

In this session, the final conclusions of this working group will be presented and discussed, including a proposal for the boundaries and responsibilities in Support to HPC users and Training in HPC among PRACE, the European Centres of Excellence in HPC and other actors. The ultimate goal of this session will be to analyse collectively the conclusions of the working group and engage the utilisation of the new HPC in Europe portal as a framework to collect the complete catalogue of HPC services throughout Europe, following a user-driven and audience-oriented approach.

Convener: Maria Perez (Universidad Politécnica de Madrid and BDVA)

4:30 PM → 6:00 PM PRACEdays20 Industrial track and BoF

Convener: Lee Margetts (Chair of the PRACE IAC)

4:30 PM Industrial Successes in HPC and AI

Speaker: Brendan McGinty (University of Illinois at Urbana-Champaign (UIUC))

Abstract_McGinty_Brendan.pdf

CV_McGinty_Brendan.pdf

Photo_McGinty_Brendan.jpg

4:50 PM SHAPE – Helping SMEs to get started with HPC

Speaker: Chris Johnson (EPCC - The University of Edinburgh)

Abstract_Johnson_Chris.pdf

CV_Johnson_Chris.pdf

Photo_Johnson_Chris.jpeg

5:10 PM BoF "Industrial Engagement Special Interest Group"

Speaker: Wahid Rofagha (PRACE aisbl)

4:30 PM → 6:00 PM PRACEdays20 Scientific Parallel Track "Astrophysics"

4:30 PM First full global 6D hybrid-Vlasov simulation of the near-Earth space

Speaker: Minna Palmroth (University Of Helsinki)

Abstract_Palmroth_Minna.pdf

CV_Palmroth_Minna.pdf

Photo_Palmroth_Minna.png

4:50 PM The SPHINX simulations of the first billion years of galaxy evolution and cosmic reionisation

Speaker: Joakim Rosdahl (Centre National de Recherche Scientifique)

Abstract_Rosdahl_Joakim.pdf

CV_Rosdahl_Joakim.pdf

Photo_Rosdahl_Joakim.jpg

5:10 PM Obelisk - Radiation hydrodynamical simulation of the formation of a proto-cluster

Speaker: Maxime Trebitsch (Max-Planck-Institut for Astronomy / Center for Astronomy of Heidelberg University)

Abstract_Trebitsch_Maxime.pdf

CV_Trebitsch_Maxime.pdf

Photo_Trebitsch_Maxime.jpg

5:30 PM Surprises in three dimensional models of planet migration

Speaker: Colin McNally (Queen Mary University of London)

Abstract_McNally_Colin.pdf

CV_McNally_Colin.pdf

Photo_McNally_Colin.jpg

4:30 PM → 6:00 PM PRACEdays20 Scientific Parallel Track "Energy / Renewable Energy"

4:30 PM Application of high performance computing for fusion research

Speaker: Shimpei Futatani (Polytechnic University of Catalonia (Universitat Politècnica de Catalunya))

Abstract_Futatani_Shimpei.pdf

CV_Futatani_Shimpei.pdf

Photo_Futatani_Shimpei.png

4:50 PM ThermoHydraulics of Advanced Liquid MEtal Nuclear reactors

Speaker: Lilla Koloszar (von Karman Institute for Fluid Dynamics)

Abstract_Koloszar_Lilla.pdf

CV_Koloszar_Lilla.pdf

Photo_Koloszar_Lilla.jpg

5:10 PM Energetic applications of Hydrophobic Nanopores: HPC and in silico design

Speaker: Antonio Tinti (Sapienza University of Rome)

Abstract_Tinti_Antonio.pdf

CV_Tinti_Antonio.pdf

Photo_Tinti_Antonio.jpg

5:30 PM Developing turbulence models for Large-eddy simulation of jet flows of viscoelastic fluids

Speaker: Fernando Pinho (University of Porto)

Abstract_Pinho_Fernando.pdf

CV_Pinho_Fernando.pdf

Photo_Pinho_Fernando.jpg

6:00 PM → 10:00 PM EuroHPC Summit Week Conference Dinner

Thu, March 26

8:30 AM → 10:30 AM Plenary

Convener: Nuria López (ICIQ)

8:30 AM Opening & Housekeeping

9:00 AM Computing Challenges at CERN and the potential of High-Performance Computing

Scientific Keynote

Speaker: Maria Girone (CERN)

Abstract_Bio_Photo_MariaGirone.pdf

9:45 AM Big Science projects and their advances for the industry

Speaker: Jorge Almeida

Abstract_Bio_photo_Jorge Almeida.pdf

10:30 AM → 11:00 AM Coffee

11:00 AM → 12:30 PM PRACEdays20 Panel Discussion: Will HPC, AI and Data Science be the same in 10 years' time?

Panel Brief

Scientific and industrial research is taking ownership of the revolution, started a decade ago by online enterprises such as Google and Facebook, of data-centric discovery as a complement to the simulation-centric approach traditional to the HPC community. While data processing has always been at the heart of scientific discoveries relying on large-scale instruments, the need to increase the performance of the associated data processing with extreme computing and the interdependence of accurate simulations and efficient design of experiments, has become more pressing. The advent of data science resulting from the accessibility of new huge sets of data of unprecedented detail, coming from traditional research as well as from new sources such as the Internet of Things, and the ability to extract information from these efficiently also extended the scientific communities benefitting from the use of large cyberinfrastructures with, for instance, social sciences and humanities. This convergence of interests comes with the challenge of providing an infrastructure that is suited for this wider range of research topics, and that supports new discoveries efficiently. Architectures of exascale computers relying on computing accelerators are a key element in this evolving landscape in providing, for instance, efficient platforms for AI supported research. The challenge for the decade to come is to enable researchers to leverage value of data from the edge where a significant part of the data needs to be collected, cured and filtered, to the data centre where it can be further processed at extreme scale. This is associated with the need to train researchers to use new transverse disciplines such as AI, machine learning, and data-mining, and to provide them with tools that manage the associated data logistics and implement large scale workflows across the future computing continuum. The panel will discuss the evolution towards full blending of the traditional simulation-centric research with the new data-centric paradigms for scientific and industrial discovery and innovation, and what this will look like in 10 years from now.

Panel Moderator

• Guy Lonsdale, SCAPOS

Panel Members

• Maria Girone, CERN
• Mark Asch, BDEC
• Joost VandeVondele, PRACE
• Alice-Agnes Gabriel, PRACE Ada Lovelace Award Winner 2020
• Jorge Almeida, Critical Software
• Maria Perez, EuroHPC RIAG

Convener: Serge Bogaerts (PRACE)

12:30 PM → 1:00 PM PRACEdays20 Award Ceremony

PRACE Ada Lovelace Award for HPC
Other awards to be confirmed

Convener: Serge Bogaerts (PRACE)

1:00 PM → 2:30 PM Lunch

2:30 PM → 4:00 PM HPC3/ FocusCoE (invitation only)

Convener: Guy Lonsdale

2:30 PM → 4:00 PM User Forum Programme Commitee (invitation only)

Convener: Troels Haugbølle (Niels Bohr Institute Københavns Universitet)

4:30 PM → 6:00 PM HPC3/ FocusCoE (invitation only)

Convener: Guy Lonsdale (SCAPOS)

4:30 PM → 6:00 PM User Forum Programme Commitee (invitation only)

Convener: Troels Haugbølle (Niels Bohr Institute Københavns Universitet)