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Durham HPC/AI Days 2024

Durham HPC/AI Days 2024

7 May – 10 May 2024
Durham University, Department of Computer Science, Durham, UK

MSCS 0001

Due to the limited number of places, we will close registration on Friday, 19 April 2024, high noon.

The call for presentations is now closed.

Following a successful 2023 event, we once again plan to host HPC Days in Durham in the week before ISC 2024 with friends and colleagues from all over the UK and from abroad. Registration is open and free of charge for all researchers. While we will stream the talks, the core event will run face-to-face in Durham. Our overarching themes this year are

Challenges for the compute centre of the future: Finding talent, compute in green, serve both communities

Compute centres and HPC research groups in academia face multifaceted challenges. Some key challenges today are the permanent lack of talent, the fact that many codes suffer from a lack of scalability and efficiency – notably the fact that supercomputers consume a lot of energy becomes increasingly challenging for many institution, i.e. there is a strong push towards green or even Net-Zero computing – and the permanent tension between the ML/AI community and the traditional simulation “customers”. The talks at the HPC Days will look at these challenges from different angles, share experience, and discuss potential approaches and solutions.

Programme overview

If the programme doesn’t display properly (on your smartphone, e.g.), please scroll down to the detailed agenda. On mobile phones, we recommend to switch to portrait mode.

TuesdayWednesdayThursdayFriday

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Keynote: Hatem Ltaief (KAUST) Keynote: Thomas Hauser (NCAR) and Michele Weiland (EPCC) Keynote: Alison Kennedy (STFC)
Coffee

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Continuous Professional Development – Experience reports from the 2023/24 CPD participants Research talks: Net Zero
Lunch break Keynote: Johannes Doerfert (LLNL)

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Opening remarks Keynote: Luigi Del Debbio (Edinburgh/EuroHPC JU)
Coffee

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Social event

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Poster Session Conference Dinner
Dinner speech: Hans-Joachim Bungartz (TUM)

Detailed Agenda

Lecture Theatre
Computer Science
MSCS0001
Lecture Theatre
Rowan House
RH0007
Tuesday
9:00-12:00 Nick Brown (EPCC):
Cerebras tutorial
Filippo Spiga (NVIDIA):
Grace Hopper tutorial
Participants will have the opportunity to access Durham’s N8 Grace Hopper test nodes throughout the tutorial.
12:00-13:00Lunch
13:00-15:00 Algorithms and applications
  • 13:00-13:20 Iain Stenson: A tale as old as time: the challenges of porting performant code to new hardware (abstract)
  • 13:25-13:45 Anita Karsa, Matt Archer, Jerome Boulanger and Leila Muresan: Leveraging high-performance computing for bioimage analysis (abstract)
  • 13:50-14:10 Matthew Smith: Stronger Scaling Plane-Wave Density Functional Theory (abstract)
  • 14:15-14:35 James McKevitt and Eduard Vorobyov: Accelerating Fortran Codes: Merging Intel Coarray Fortran with CUDA and OpenMP (abstract)
  • 14:40-15:00 Sean Baccas, Alexander Belozerov, Eike Mueller, Dmitry Nikolaenko and Tobias Weinzierl: Multigrid for ExaHyPE (abstract)
Lustre User Group meeting
The UK Lustre User Group brings together the UK Lustre community to share experiences of using Lustre in large-scale HPC and AI systems, as well as to hear the latest Lustre roadmap and community updates from Whamcloud and DDN field engineering teams.

  • 13:00-13:10 Robert Esnouf, University of Oxford: Welcome from Chair of LUG UK
  • 13:10-13:30 Matt Raso-Barnett, Whamcloud: Lustre Community and Roadmap update
  • 13:30-14:00 Alastair Basden, DiRAC/ICC, Durham University:  Host showcase
  • 14:00-14:30 Jon Marshall, Cancer Research, UK: Lustre at CRUK
  • 14:30-15:00 Robert Esnouf, WHG Head of Research Computing Core and BDI Director of Research Computing: Lustre at University of Oxford
15:00-16:00 Tobias Weinzierl and Nick Brown:
Opening Remarks
Official opening of the HPC/AI Days with welcome messages from
  • Colin Bain (Durham University/PVC Research)
  • Mark Wilkinson (Leicester/DiRAC)
  • Richard Gunn (UKRI)
  • Matthew Johnson (Durham University/Head of Computer Science)
16:00-16:30Coffee
16:30-18:30 AI@HPC
  • 16:30-16:50 Anna Roubickova, Elena Breitmoser, Amrey Krause, Dave McKay, Moritz Linkmann and Jacob Page: SiMLInt: Simulation and Machine Learning Integration (abstract)
  • 16:55-17:15 Kevin Mulder: AI accelerated computational imaging at exascale with uncertainty quantification (abstract)
  • 17:20-17:40 Jeremy Yates, Jeyan Thiyagalingam and Marion Samler: Blueprinting AI for Science at Exascale (BASE-II) (abstract)
  • 17:45-18:05 David Llewellyn-Jones and Tomas Lazauskas: Matching AI Research to HPC Resource through Benchmarking and Processes (abstract)
Lustre Tutorials by DDN
New to Lustre? Interested to learn more about tools and best practice? Come along to our Lustre Tutorials, provided by DDN and Whamcloud, both for those who are new to Lustre, and for those looking to learn more about Lustre monitoring and performance, with Rich Mansfield and Vic Cornell of DDN.

  • 16:30-16:50 Introduction to Lustre – Start here for a brief overview of the key components of the Lustre file system
  • 16:50-17:10 Lustre & HPC Performance – What makes Lustre so well-suited to HPC and AI applications?
  • 17:10-17:30 Lustre Application Monitoring & Tuning – Discover common tools to help monitor and tune Lustre performance
18:15-21:00 ExCALIBUR H&ES ECP Exchange
The ExCALIBUR-ECP Hardware & Enabling Software Knowledge Exchange Programme provides financial support for exchange visits of personnel who have been involved in UKRI projects, and those from the USA . The programme has a particular focus on technical Knowledge Transfer aspects and the Hardware & Enabling Software (H&ES) pre-exascale testbed projects funded under the ExCALIBUR initiative. More information is available at https://excalibur.ac.uk/themes/excalibur-ecp-exchange-programme.

One of the goals of the ExCALIBUR-ECP H&ES Exchange Programme is to identify opportunities for UK-US collaborative activities which will form the basis of a longer term proposal for an engagement programme. There will be a series of scoping workshops during 2024 covering areas of exascale such as already optimised numerical and IO libraries and applications, MPI and other parallel enabling tools including new compilers, system monitoring tools; parallel profiler and debugger applications.

The purpose of this session is to identify potential areas of interest to focus on during the first scoping workshop and to gather feedback and ideas from the community on how to maximise the impact of this new engagement programme.

Light refreshments will be provided. All participants of the Durham HPC/AI Days on all career levels are encouraged to participate and to contribute.
HPC Networking with DDN
This networking event, hosted by DDN and the Lustre User Group, is open to everyone attending Durham HPC/AI Days. Join us at Whitechurch, 29 Church Street Head, Durham DH1 3DN, for drinks and canapés from 18:30 onwards!
Wednesday
9:00-10:00 Hatem Ltaief
The Energy Diet: Trimming Excess in Data Movement for Scientific Applications
(short bio)
10:00-12:00 Workflows and programming environments
  • 10:00-10:20 Bob Cregan, Yiannos Stathopoulos and Joshua Reed: Integrating a High Performance Burst Buffer Filesystem with the Slurm Resource Scheduler (abstract)
  • 10:25-10:45 Grenvile Lister, Bryan Lawrence, Jean-Thomas Acquaviva, Konstantinos Chasapis, Mark Goddard, Scott Davidson, David Hassell, Valeriu Predoi, Matt Pryor and Stig Telfer: Practical Computational Storage for Scientific Workflows (abstract)
  • 10:50-11:10 Tom Meltzer: Introducing mdb – a debugger for parallel MPI applications (abstract)
  • 11:15-11:35 Matt Pryor and John Garbutt: The HPC+AI Cloud: flexible and performant infrastructure for HPC and AI workloads (abstract)
  • 11:40-12:00 Gabriel Rodríguez Canal and Nick Brown: Delivering performance and programmer productivity on energy efficient hardware (abstract)
DiRAC and AI
  • 10:00-10:20 Jack Atkinson: Blending Machine Learning and Numerical Simulation, with Applications to Climate Modelling (abstract)
  • 10:25-10:45 Matthieu Schaller: Model calibration using ML and ML-derived code simplification of computationally expensive algorithms (abstract)
  • 10:50-11:10 Mark Wilkinson: STFC AI strategy working group (abstract)
  • 11:15-12:00 Discussion session: Current AI usage in DiRAC codes
12:00-13:00Lunch
13:00-15:00 Benchmarking, training and community
  • 13:00-13:20 Daniel Cole, Robert Welch, James Gebbie-Rayet and Sarah Harris: Establishing the Accessible Computational Regimes for Biomolecular Simulations at Exascale (abstract)
  • 13:25-13:45 Andrew Turner, Marion Weinzierl, Ed Hone and Nick Brown: Building the HPC RSE Community (abstract)
  • 13:50-14:10 Ilektra Christidi, Tuomas Koskela, Mose Giordano, Emily Dubrovska, Jamie Quinn, Tom Deakin, Kaan Olgu, Chris Maynard and David Case: Benchmarking for the exascale (abstract)
  • 14:15-14:35 Chris Rae, Joseph Lee and James Richings: Testing and Benchmarking Machine Learning Accelerators using Reframe (abstract)
  • 14:40-15:00 Jeremy Cohen, Weronika Filinger, Martin Robinson, Steve Crouch and Neil Chue Hong: Developing pathways and structures to support HPC training (abstract)
Panel discussion: AI vs. HPC Compute Centres
15:00-16:00 Luigi Del Debbio
EuroHPC Joint Undertaking
A brief overview of the machines available through EuroHPC JU. The talk is enriched with remarks on different access routes (AI, test accounts, regular access, extreme scale calls) and puts special emphasis on routes that are (still) open to UK researchers. The audience will benefit from some insider remarks on how the resource allocation panel works, what good proposals look like, and what distinguishes good from not so good proposals.
16:00-16:30Coffee
16:30-18:30 Talent & Careers
The pipeline of talent in HPC and large-scale AI computing is fragile and leaking. In this session, we present initiatives that aim to increase the number of colleagues moving into our area and to improve professional development.

  • 16:30-16:45 Georgina Ellis (Logicalis) and Damian Jones (STFC): Why we push for a Student Cluster Competition at CIUK
  • 16:50-17:05 Richard Gunn (EPSRC): Why we are investing in RSE training within ExCALIBUR
  • 17:10-17:25 Clare Jennner and Richard Reagan (DiRAC): Professional development in DiRAC
  • 17:30-17:45 Wil Mayer (Alces Flight): Investing into WHPC – one way to recruit and retain talent
  • 17:50-18:30 Panel: What skills and training opportunities are missing?

We will invite industry partners to serve on the panel besides our speakers. The new panel members will start with a brief presentation what they see lacking in terms of skills among applicants, challenging the initial presentations. After that, the audience is invited to submit questions.
SYCL, OneAPI & Performance-portability
  • 16:30-16:50 Juliana Kwan: Going from GRChombo to GRTeclyn: An exascale journey (abstract)
  • 16:55-17:15 Wei-Chen Lin, Tom Deakin and Simon McIntosh-Smith: On the impact of MPI on the performance portability of heterogeneous parallel programming models (abstract)
  • 17:20-17:40 Arjen Tamerus: t.b.c. (abstract)
  • 17:45-18:05 Chung Ming Loi, Heinrich Bockhorst and Tobias Weinzierl: SYCL compute kernels for ExaHyPE (abstract)
  • 18:10-18:30 Rod Burns: Portable SYCL Math Libraries for pre and post exascale (abstract)
18:30-21:00 Poster Session
We present posters from Durham’s SIAM Student Chapter. Participants from the UK’s ExCALIBUR projects are invited to bring along their project posters, too. There will be a best poster prize sponsored by NVIDIA.
Thursday
9:00-10:00 Thomas Hauser (NCAR) and Michele Weiland (EPCC)
t.b.a.
10:00-12:00 Correctness & Debugging, GPUs, Performance Analysis & Tuning – Workshop Wrap-up
Durham’s Computer Science runs, in close collaboration with Durham’s Advanced Research Computing and DiRAC, a series of professional development workshops for HPC developers. These activities comprise a debugging and correctness workshop series, a sequence of GPU events, and the Performance Analysis Workshop Series where various UK HPC groups study one piece of code over multiple weeks using multiple tools. The Thursday morning session gives the groups the opportunity to report on their experiences both with their codes, the training, and the educational programme overall. They also have the opportunity to highlight missing training ingredients and the impact of professional development on their own careers.
12:00-13:00Lunch
13:00-15:00 Community Building and Fostering Diversity (Women in HPC)
  • 13:00-14:00: Lightning talks
    Emma Finch: An introduction to WHPC and highlights from the N8 CIR Chapter
    Wil Mayer: Moving the needle
    Marion Weinzierl: WHPC/RSE community building
    Alan Real: Experiences as an ally
    t.b.c.
  • 14:00-14:30: Lyceum Panel
  • 14:30-15:00: Open Discussion
Topics addressed will cover:
  • What are your lessons learnt when building your own (RSE) community?
  • How has improving diversity improved your workplace?
  • Can you share tips on being more inclusive?
  • What is the value of mentoring?
  • How do you effectively onboard new staff members?
  • What are the changes you want to see?
Algorithms and applications
  • 13:00-13:20 Pawel Radtke and Tobias Weinzierl: Optimising SPH kernels via compiler-driven AoS-SoA conversions (abstract)
  • 13:25-13:45 John Buckeridge, Omer Rathore, Rhonda Au Yeung and Viv Kendon: QEVEC: Towards obtaining a quantum advantage in practice (abstract)
  • 13:50-14:10 Mladen Ivkovic: SWIFT 2 : Keeping the Good, Discussing the Bad, Removing the Ugly (abstract)
  • 14:15-14:35 Alison Heppenstall, Gary Polhill, Mike Batty, Doug Salt, Richard Milton, Hatt Hare and Ric Colsanti: Using HPC to model policy scenarios with agent-based models (abstract)
  • 14:40-15:00 Andrew Mole and Sylvain Laizet: Efficient Experimental Design using Multi-fidelity Bayesian Optimisation (abstract)
15:00-18:00 Guided tour through Durham Castle
We have organised two guided tours (25 persons per tour) through Durham’s historic castle. The tour slots will be filled upon registration first-come first-served. Meeting point is 15:40 in front of the Castle entrance.
18:00-21:00 Conference Dinner
The conference dinner will be hosted at Durham’s Business School. Please allow some time to get from the conference venue or castle/cathedral up the hill to this building. Food will be served at 19:00. Troughout the dinner, we’ll have a dinner speach by Hans-Joachim Bungartz (TUM):
SPPEXA – Experiences & lessons learned from the German Priority Programme 1648 – Software for Exascale Computing.
Friday
9:00-10:00 Alison Kennedy
Responsible computing in the exa era
This talk orbits around some key questions raised by the Pathway to Exascale project: nergy usage – if we are looking at energy to solution, does that mean we should prioritise some science areas over others? Is the Green 500 list something the UKL should take seriously or a gamified gimmick? What’s the role of the RSE community in minimising energy usage or should we be expecting vendors to do more? How do we balance cost in our procurements or outsourcing while ensuring that costs are not kept artificially low by forced labour or unethical employment practices in the supply chain? Should we look to lower UK emissions by shipping our computers and data to other countries and if so what issues does that cause?
10:00-12:00 Net Zero
  • 10:00-10:20 Joseph Lee and Eleanor Broadway: Experiences and Challenges in achieving Green AI with HPC systems (abstract)
  • 10:25-10:45 Alastair Basden: Net-zero and DiRAC
  • 10:50-11:10 Maurice Jamieson and Nick Brown: RISC-V: A potential game changer for delivering green HPC? (abstract)
No parallel sessions.
11:30-12:30 Johannes Doerfert
LLVM, ECP, t.b.c.

Call for presentations and registration

The call for presentations is now closed. Thanks for submitting more than 30 talks. We will struggle to accommodate all of them in the main programme, but we will manage, as all of them sound promising! However, we will not be able to accept any late submissions anymore.

Registration is available from this page. Due to the high demand, we will close the registration on Friday, 19 April, 2024 at 11:59am.

Travel in and around Durham and accommodation

There is no financial or logistics support for accommodation and travel, but we can point to a few hotels nearby that guests of the department use frequently. Participants will need to make all booking

The University has their own Events team. They also provide B&B accommodation. However, as we approach the new term, it is not likely that they have “spare” rooms.

The University’s official Visit Us page provides some general guidance how to find us. The Department of Computer Science is on Mount Joy next to the Botanic Garden. Here are some further remarks how to get there:

  • If you are arriving at Newcastle International, take the tram (there’s only one) to Newcastle Central (less than 40 minute) and then take a train to the South. Durham is 15 minutes away from Newcastle Central.
  • Alternatively, you can take a taxi from the airport (should be around 60 GBP for a drive of around 40 minutes in total). You can book a taxi directly within the airport at the counter next to the International Arrivals.
  • From Durham train station, it is a 30-40 minute walk, which is quite beautiful.
  • Taxis should be available from the station and should be around 10-15 GBP.
  • Right in front of the station, there’s a bus stop with two lines:
    • Bus 42 to Mount Oswald. It runs every 30 minutes. Get off at “South Road Colleges” and walk up the hill from there (5 minutes).
    • Bus 41 to University Science Park. Hop off at the final stop.

Arriving by plane and travel to ISC

Many of our guests and friends will travel to ISC afterwards. Newcastle is the nearest airport and there are regular connections from Heathrow (BA), Frankfurt (Lufthansa) and Amsterdam (KLM). For some connections, it might be more convenient to take the train from Manchester (served by Turkish, e.g.). It is a 3hrs train ride directly into Durham, but the Manchester Airport train station is at least directly inside the terminal.

We will be happy to organise bus drop off on Friday afternoon at Newcastle International if required. There are multiple convenient travel options:

  • There are regular flights from Newcastle (NCL) to Amsterdam (KLM), London (BA) or Frankfurt (Lufthansa) from which there are flights into Hamburg. You might however have to stay overnight to continue to Hamburg very early in the (Sunday/Monday) morning.
  • Ryanair/EasyJet offer non-stop flights from Edinburgh which is around 3hrs by train (incl local change) north of Durham.
  • LNER has a fast, frequent connection (3hrs) to London Kings Cross, next to the EuroStar.

Programme committee