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News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
The newsletter of EPCC, the supercomputing centre at the University of Edinburgh

                                            news                      Issue 84 AUTUMN 2018

       The Bayes Centre: EPCC’s new
       home at the heart of the Data
       Driven Innovation Programme
       and supercomputing in the UK
News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
From our Director                                                                                               3
                                                                                                                 Contents
                                                                                                                      EPCC’s new home
                                                                                                                      We’ve moved!

Welcome to the Autumn 2018                             power at the ACF and a fourth
edition of EPCC News. Over the                         computer room.                                           4     Prosperity Partnership
                                                                                                                      Next-generation engineering
summer EPCC has moved offices                                                                                         simulation
                                                       We have also successfully won a
for the first time in its 28-year
                                                       number of new projects which you
history.
                                                       can read about in this issue. The                        5     Catalyst UK programme
                                                                                                                      Major Arm-based HPC system
While the process has not been                         largest of these is the 5-year £15m
without its challenges, we’ve now
settled into our beautiful new home
                                                       Prosperity Partnership which EPCC
                                                       leads with Rolls-Royce. This project
                                                                                                                6     Industry roundup
                                                                                                                      Our industry partnerships
on the second floor of the £45m                        will develop the world’s first high-
Bayes Centre in central Edinburgh.                     fidelity simulation of a next-                           7     Data-driven innovation
                                                                                                                      What it means for business
We’re already benefiting from this                     generation gas turbine engine in
central location in terms of                           operation.
interaction with the School of
                                                       We are also looking forward to the
                                                                                                                8     Fortissimo review
                                                                                                                      Bringing HPC to business
Informatics and visitors to the
                                                       delivery of our first large-scale
University.
                                                       Arm-based HPC system from the                            9     VESTEC project
                                                                                                                      HPC for urgent decision making
The Bayes Centre is one of the six                     Catalyst UK project led by HPE.
new buildings funded through the                       This 4,096-core system based on
Edinburgh & SE Scotland City                           Cavium’s ThunderX2 Arm processor                      10       ISO certification
                                                                                                                      Ensuring data security
Region deal which was signed by                        is a new departure for us. More
the Prime Minister and First Minister
in August. As well as being a key
                                                       diversity in processor technology is
                                                       very important for the long-term
                                                                                                             11       Data research
                                                                                                                      Supporting national policy making
organisation within the Bayes                          future of the HPC industry world-
Centre, EPCC is also in charge of                      wide - particularly as we approach                    12       Humanities data
                                                                                                                      Cray Urika-GX’s data services
creating the World Class Data                          the Exascale.
Infrastructure which supports the
Data Driven Innovation Programme.
                                                       I hope you enjoy this issue!                          14       Our MSc programmes
                                                                                                                      New beginnings
Over the next 10 years we will invest
£115 million in this infrastructure
including an increase to 32MW of
                                                       Mark Parsons, EPCC Director
                                                       m.parsons@epcc.ed.ac.uk
                                                                                                             15       Online learning at EPCC
                                                                                                                      Study with us anywhere

                                                                                                             16       SpiNNaker
                                                                                                                      Neuromorphic HPC at EPCC
EPCC at Supercomputing 2018
                                                                                                             17       EPCC’s Computing Facility
                                                                                                                      Energy-efficient computing
EPCC booth: 2800
EPCC will be participating in a wide                   (2033). At the EPCC booth in the                      18       EPiGRAM-HS project
                                                                                                                      Doing more with less
range of activities at this year’s                     exhibition hall you can find out
Supercomputing conference in
Dallas, including the "Open Source
                                                       about our latest work including our
                                                       involvement in the Data Driven
                                                                                                             19       ARCHER eCSE
                                                                                                                      Funding research software
Supercomputing" workshop, the                          Innovation Programme. Partner
"Sustaining Research Software"                         booths include the European                           20       Cell biology image analysis
                                                                                                                      Improving usability
panel, and BoF sessions on                             Exascale Project booth (237), where
“Software Engineering and Reuse in                     you can learn about DEEP-EST and
Computational Science and                              SAGE2, and booth 1847 where the                       21       Women in HPC
                                                                                                                      We are now a local Chapter
Engineering", "Multi-Level Memory                      GEANT networking project is                                    HPC-Europa3
and Storage for HPC and Data                           represented.                                                   User group meeting review
Analytics", and education, outreach
                                                       Adrian Jackson, EPCC
and training discussions.
                                                       a.jackson@epcc.ed.ac.uk                               22       Research software
                                                                                                                      engineers
There will be presentations about                                                                                     Building a new community
different projects EPCC is involved                       Full details of all our activities
in, including VESTEC (see p9) and                         at SC’18 can be found on our
INTERTWinE at the PRACE booth                             website: http://bit.ly/2CPaihv                     23       Outreach
                                                                                                                      EPCC at New Scientist Live

www.epcc.ed.ac.uk                 info@epcc.ed.ac.uk                +44 (0)131 650 5030               Twitter: @EPCCed
EPCC is a supercomputing centre based at The University of Edinburgh, which is a charitable body registered in Scotland with registration
number SC005336.

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News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
Images of the Bayes Centre by Mark K Jackson and Mark Reynolds.

The Bayes Centre: EPCC’s new home
In August EPCC moved to the Bayes Centre, the University of
Edinburgh’s new community of academic, research and
commercial expertise located on its Central campus.
EPCC has left its original home on                    innovation. Education offerings for
the Kings Buildings Campus to join                    companies are also being
the newly established Bayes Centre                    developed here.
community, which will eventually
                                                      The Bayes will enable the University
house some 600 experts in data
                                                      to build on its globally recognised
science and artificial intelligence
                                                      strengths in data management,
                                                                                                 “EPCC’s move to the
from research and industry.
                                                      artificial intelligence, theoretical       Bayes Centre is a really
The move brings us into much                          computer science, computational            important moment in its
closer contact with other data-                       linguistics, systems architectures
based organisations such as The                       and bioinformatics.
                                                                                                 history. We’re at the
Data Lab, the Centre for Design
                                                      As part of the University’s strategy
                                                                                                 heart of the Data Driven
Informatics, and the Alan Turing
                                                      to build multi-disciplinary                Innovation Programme
Institute. Our new open-plan study
area also allows our MSc and PhD
                                                      partnerships with industry, the            and supercomputing in
                                                      Bayes Centre will accommodate              the UK, and this new
students to better integrate with
                                                      industrial tenants such as satellite-
EPCC’s staff (see p10).
                                                      technology provider Orbital Micro          home brings us closer to
The Bayes Centre is one of the                        Systems (OMS), (see page 6 for our         many new opportunities
University’s five innovation hubs,                    collaboration with this company),          for collaboration in the
which are each designed to fuel                       and we look forward to the further
growth in industry partnerships.                      opportunities for knowledge                region.”
World-leading technology, data                        exchange the Bayes will bring.
science and enterprise teams will
                                                                                                 Mark Parsons,
                                                      Finally, we are very much enjoying         EPCC Director
work together with corporate
                                                      exploring the exciting lunch
partners at the Centre to help shape
                                                      opportunities in our new
the future using data-driven
                                                      neighbourhood!
The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                                                3
News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
New Prosperity
    Partnership to
    develop world first
    in high-fidelity
    engineering
    simulations

                                                                                     Rolls-Royce power gearbox.
                                                                                     Image: Rolls-Royce plc

A consortium led by Rolls-Royce and EPCC was recently awarded a
Prosperity Partnership worth £14.7m to develop the next generation of
engineering simulation and modelling techniques, with the aim of
developing the world’s first high-fidelity simulation of a complete gas-
turbine engine during operation.

The five-year “Strategic Partnership      not a single well-defined milestone        Michèle Weiland, EPCC
in Computational Science for              to be reached by 2030 however.             m.weiland@epcc.ed.ac.uk
Advanced Simulation and Modelling         The necessary simulation capability
of Virtual Systems” (ASiMoV for           is essential, but so is the evidential
short) is embarking on an extremely       basis for trusting the simulation.
challenging programme of research
                                          Requirements for speed, fidelity and
to enable this level of simulation. It
                                          accuracy are well beyond current
will require breakthroughs at all
                                          simulation and high performance
levels (mathematics, algorithms,
                                          computing capability. Where
software, and security) and uniquely
                                          simulations can be carried out at all,
combines fundamental engineering
                                          they do not meet fidelity
and computational science research
                                          requirements and take weeks or
to address a challenge that is well
                                          even months to complete. True
beyond the capabilities of today’s
                                          virtual certification simulations will
state of the art.
                                          therefore require new high-
The ultimate long-term goal of the        resolution physical models and full                           The partners gathered for the
                                                                                                       Partnership’s kick-off meeting.
research is to enable the “virtual        system simulations that drive us
certification” of aero engines, be        from today’s model sizes (with
they gas-turbine, hybrid or fully         10-100 million cells) towards
electric, by 2030. The journey to         models with trillions of cells. A result
virtual certification requires a          will be the need for techniques that
thorough evidential database to           can exploit future computing
convince the certification authorities    platforms and the unprecedented
that the analysis can be trusted. For     amounts of data they consume and
example, engine manufacturers             produce, robustly, securely and              In addition to Edinburgh,
working with the FAA have                 affordably.                                  the Prosperity Partnership
successfully replaced the large                                                        includes four Universities
                                          This is a transformational change
bird-strike certification test with                                                    (Bristol, Cambridge, Oxford and
                                          requiring a transformational
analysis - it took around ten years                                                    Warwick) as well as two SMEs,
                                          collaboration, and EPCC is
to obtain FAA approval for virtual                                                     CFMS and Zenotech.
                                          delighted to be leading the
certification. Virtual certification is
                                          Partnership.

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News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
Catalyst UK programme
                        brings Arm-based
                      HPC system to EPCC!

                                                                                             Areas of particular interest to the initial phase of the
                                                                                             Catalyst programme include weather and ocean
                                                                                             modelling.
                                                                                             © iStock.com/shayes17
Earlier this year, HPE announced the Catalyst UK programme: a
collaboration with Arm, SUSE and three UK universities to deploy one of
the largest Arm-based high performance computing (HPC) installations in
the world. EPCC was chosen as the site for one of these systems; the
other two are the Universities of Bristol and Leicester.

The HPE Apollo 70-based systems                      exercise will unearth issues (eg with   Michèle Weiland, EPCC
will each consist of 64 compute                      compilers, libraries, or the network)   m.weiland@epcc.ed.ac.uk
nodes with two 32-core Cavium                        and we will work closely with the
ThunderX2 processors (ie 4096                        vendors to resolve these. A handful
cores in total), 128GB of memory                     of applications will be selected for
composed of 16 DDR4 DIMMs, and                       in-depth optimisation - areas of
Mellanox InfiniBand interconnects.                   particular interest are engineering,
They will be made available to both                  computational chemistry, and
industry and academia, with the aim                  weather and ocean modelling, and
to build applications that drive                     these will be given priority. However
economic growth and productivity                     it’s not an exclusive club: industry,
as outlined in the UK government’s                   high-performance data analytics
Industrial Strategy.                                 and machine learning applications
                                                     are also welcome.
As part of the programme, EPCC
will port the most heavily used                      Catalyst training
ARCHER and Cirrus packages to
                                                     From 3–4 December, we will run a
the Catalyst system and make them
                                                     PRACE Advanced Training Centre
available as modules, so that it’s
                                                     course (free to attend for all) that
easy for users to explore the new
                                                     will teach participants about the
platform.
                                                     Catalyst system architecture and
                                                                                               Hewlett Packard Enterprise
Our initial focus will be on making                  software stack, how to compile
                                                                                               www.hpe.com
as many applications available as                    codes for Arm, as well as
possible. As documentation is a key                  performance hints and tips.               SUSE
component of driving adoption, we                                                              www.suse.com
                                                     The installation of our Catalyst
will create detailed build process
                                                     system at EPCC’s Advanced                 UK Industrial Strategy
documentation as part of our
                                                     Computing Facility is imminent, and       www.gov.uk/government/
porting activities and contribute to
                                                     we are eagerly looking forward to         topical-events/the-uks-
the Arm HPC community on GitLab.
                                                     exploring the potential of this           industrial-strategy
It is expected that the initial porting              Arm-based HPC system!
The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                                                   5
News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
Industry projects round up
                                                                                EPCC is working with satellite technology provider
                                                                                Orbital Micro Systems in the International Centre
                                                                                for Earth Data which will improve forecasts for
                                                                                sectors including shipping.
2018 continues to be a busy year for EPCC in terms of industrial                © iStock.com/wissanu01
collaborations. Following our move to the new Bayes Centre, we look
forward to further exciting industrial collaborations.

Paywizard                               The ICED will enable near real-time     Thomas Blyth, EPCC,
                                        monitoring and improved forecasts       t.blyth@epcc.ed.ac.uk
We recently completed a successful
                                        for sectors such as insurance,
project with Paywizard, the pay-TV
                                        agriculture, aviation, and shipping.
subscription, billing, and customer
                                        EPCC is providing data analytics
relationship management specialist,
                                        expertise in conjunction with the
to drive the development of new
AI-driven capabilities within its
                                        latest in high performance              HPC access
                                        computing (HPC) research to
subscriber intelligence platform.
                                        manage such large data sets. HPC
                                                                                programmes
Our data science specialists
                                        is crucial when dealing with the
enhanced existing machine learning                                              EPCC’s ‘Accelerator’ and on-
                                        petabyte levels of data required for
capabilities within the Paywizard                                               demand access programmes for
                                        this type of satellite-based
platform and developed further                                                  industrial users of our world-class
                                        modelling.
predictive modelling capabilities.                                              HPC infrastructure continue to
                                        This multi-disciplinary project         thrive. We have ongoing
A resultant AI product, Paywizard
                                        involving EPCC and the University’s     collaborations with major players
Singula, went on to win a ‘Best of
                                        Schools of Geosciences and              such as Shearwater (advanced
Show’ TV technology award at IBC,
                                        Informatics is a great example of       ocean modelling) and Screen
the industry’s largest European
                                        the projects that will be at the        LASSE (simulation support for
event.
                                        forefront of the Bayes Centre           advanced semiconductor device
Orbital Micro Systems                   agenda.                                 manufacture). A collaboration with
EPCC is working closely with            Sustainably                             ENGYS has created a cost
satellite technology provider Orbital                                           effective, pay-per-use, simulation-
                                        We have also just kicked off a          as-a-service business model
Micro Systems (OMS) as part of the
                                        project with the fast-growing fintech   offering access to advanced CFD
newly formed International Centre
                                        start-up, Sustainably. EPCC is          modelling based on an
for Earth Data (ICED) where a
                                        providing software and data             implementation of ENGYS’ HELYX
satellite-based system is being
                                        architecture expertise to support       product.
developed that will vastly improve
                                        the company’s rapid growth plans
monitoring and forecasting of
                                        as it looks to scale its offering
extreme weather and natural
                                        across the open banking network.
disasters anywhere in the world.
                                        DJ Alexander
The programme will capture and
analyse data from OMS’ planned          In a similar vein, EPCC is                Contact our business team
constellation of 40 satellites – each   supporting the Edinburgh-based            to find out more.
about the size of a large shoebox.      property management company DJ
These missions will include the first   Alexander, which will launch an           George Graham:
launch of the recently announced        innovative online platform in 2019.       g.graham@epcc.ed.ac.uk
UK spaceflight programme, using         We are providing software                 Thomas Blyth:
the planned spaceport on                engineering expertise to its growing      t.blyth@epcc.ed.ac.uk
Scotland’s north coast.                 development team.

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News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
Data-driven innovation
    for business

                                                                                              © iStock.com/enot-polosku

There is a lot of hype around big data and big computing for
business, but it is undeniable that the influence of data-driven
innovation will be profound.

The expertise and support available                   projects for industry, academia or      Thomas Blyth and Mark Sawyer,
in Scotland has created a massive                     both, and – by bringing together        EPCC
opportunity for our engineering and                   regional, national and international    t.blyth@epcc.ed.ac.uk
manufacturing sectors and, with the                   datasets – facilitating new products,   m.sawyer@epcc.ed.ac.uk
launch of the £500m Data-Driven                       services, and research.
Innovation (DDI) strand of the
                                                      The WCDI’s high-resiliency data and     To understand the potential impact
Edinburgh and South-East Scotland
                                                      computing facilities will support       of data-driven innovation, consider
City Region Deal, this is an exciting
                                                      work with complex, high volume,         the case of a manufacturing
time for exploring how technology
                                                      real-time datasets from across the      production line, running 24 hours a
can benefit business.
                                                      City Region and beyond. We are          day: an unexpected breakdown will
Industry can gain huge benefits by                    already seeing demand from a wide       be extremely costly.
combining data science expertise,                     range of sectors including fintech
HPC hardware, and readily-                            and other financial services, space     A modern production line generates
available software and data                           and satellite, data analytics, and      a huge amount of data from fault-
analytics tools. HPC enables data                     tech start-ups. The establishment of    detecting sensors. If machine
scientists to manage, process and                     this data hub and the production of     learning could predict faults before
work with extremely large and                         new applications will in turn lead to   they occur, the number of times the
complex datasets, which in turn                       new companies.                          line breaks down would be
allows businesses to develop new                                                              dramatically reduced, leading to
                                                      EPCC collaborates with companies        massive savings. This kind of
products and revenue streams.
                                                      of all sizes to tackle real-life        application, where computers make
The Bayes Centre in Edinburgh is                      problems or enhance business            predictions based on meaningful
home to a community of world-                         processes, and the direct results       patterns in data sets, will increase
leading data science and artificial                   can include gaining a competitive       in importance as the amount of data
intelligence teams, including EPCC,                   advantage, reducing costs, or           grows.
and it is set to play a key role in                   improving operational or research
delivering the DDI programme.                         and development processes. Here
Central to the programme is a new                     at EPCC we see the WCDI as a
facility for the secure hosting and                   unique opportunity for companies           Contact our business team
analysis of huge and varied                           to adopt data-driven innovation. It        to find out more.
datasets. This £70m investment in                     will offer state-of-the-art data and
the World-Class Data Infrastructure                   compute infrastructure, supported          George Graham:
(WCDI) will be fundamental in                         by data analytics and modelling            g.graham@epcc.ed.ac.uk
positioning the City Region as data                   skills from across the University of       Thomas Blyth:
capital of Europe, acting as an                       Edinburgh and the wider region.            t.blyth@epcc.ed.ac.uk
enabler for many data science
The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                                7
News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
Fortissimo:
a boost for                                                                    Swedish SME Koenigsegg develops and produces
                                                                               high-performance, limited-edition motor vehicles.
                                                                               Its use of HPC-based simulation for the production

European business
                                                                               of a new car configuration led to a 30% saving in
                                                                               design costs, a reduction of 50% in wind tunnel
                                                                               and physical testing, a 60% saving in prototyping
                                                                               costs, and a 30% shortening of time to market.

December 2018 marks the end of the Fortissimo project. EPCC has been
collaborating in the programme since 2013, and during this time 92
business experiments have been carried out with over 100 small European
companies, many of which had no previous experience of using HPC.

The overall purpose of Fortissimo        whether this is related directly to   Mark Sawyer
was to demonstrate that the              HPC or associated with the specific   m.sawyer@epcc.ed.ac.uk
benefits which the cloud has             business in question. The
brought to enterprise computing          Fortissimo approach was to bring
can be replicated in engineering         together the necessary expertise in
fields such as modelling and             small partnerships that could then
simulation, and also in high-            focus on a specific business
performance data-analytics. Cloud        problem. There was a stringent
computing reduces an enterprise’s        selection process for these           The Fortissimo
cost and complexity by removing          experiments, with a series of
the need for it to buy and operate       competitive calls for proposals. We
                                                                               experiments came from
its own computing equipment.             learned that there is great demand    a diverse range of
Instead it can access services           to trial HPC in this way, with the    industry sectors. You
provided by third parties, allowing it   calls being oversubscribed almost
to focus on its core expertise.          ten-fold.
                                                                               can read about each
Fortissimo has shown that similar        Fortissimo Marketplace
                                                                               experiment on the
benefits can be obtained by offering                                           Fortissimo website:
                                         The Fortissimo project led directly
high performance computing (HPC)
                                         to the creation of the Fortissimo     www.fortissimo-project.
in this way. Most small companies
cannot afford the high entry cost of
                                         Marketplace, which offers services    eu/success-stories.
                                         developed in the experiments and
acquiring and operating an HPC
                                         by HPC centres and other
system, even though it is a proven
                                         providers. This Marketplace will
technology. By providing access to
                                         enable companies to access
HPC systems as a service,
                                         advanced modelling, simulation and
Fortissimo has allowed companies
                                         data-analytics services using a
to trial engineering techniques that
                                         pay-per-use model, with the
were previously out of reach.
                                         ultimate aim of improving the
                                                                                 Fortissimo Marketplace
Access to resources is, however,         competitiveness of the European
only part of the solution. Another       economy.                                www.fortissimo-project.eu/
vital component is expertise,

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News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
VESTEC: saving the
  world one byte at a time
                                                                                                             © iStock.com/JPhilipson
With jobs submitted to a batch system, supercomputing has traditionally
been centred around an offline, non-interactive approach to running codes
such as simulations. However, it is our belief that there is great potential in
fusing HPC with real-time data for use as part of urgent decision-making
processes in response to natural disasters and crises.

It is not just HPC that has benefited                disruption cause by geomagnetic                         Nick Brown, EPCC
from phenomenal developments in                      storms), and mosquito-borne                             n.brown@epcc.ed.ac.uk
hardware: our ability to physically                  diseases. Not only do these areas
collect data, for example via                        entail risk to life, they also have a
high-velocity sensors, has also                      significant economic impact
undergone a revolution in recent                     (estimated at billions of dollars a
years.                                               year). We hope that by combining
                                                     traditional simulations with high-
Until now, the role that HPC can
                                                     velocity sensor data, it will be
play in complementing this and
                                                     possible to make correlations
turning data streaming into valuable
                                                     between simulations and
collateral has been overlooked. But
                                                     observations such that much more
this is not a simple job and entails
                                                     precise and reliable predictions can                    Image shows Wildfire Analyst, one of the
much more than hooking up some
                                                     be generated. These would feed                          VESTEC partners and three project use-cases.
data sources to HPC machines.                                                                                It models the spread of forest fires, and is used
                                                     into disaster recovery or even                          to assist in disaster planning and mitigation.
Instead, to fuse HPC with real-time
                                                     prevention.                                             The VESTEC project will develop infrastructure
data, a large number of challenges                                                                           which enables this application to be fed with real
need to be tackled, from the low                     At EPCC we are leading the work-                        time sensor data and run ensemble fashion on
                                                                                                             supercomputers. The end result will be a step
level software stack up to                           package on interactive                                  change in capability for disaster recovery teams,
interactive visualisation tools.                     supercomputing. This is especially                      where they can much more accurately advise fire
                                                                                                             fighting teams on the ground to contain the fire
                                                     interesting for us as it combines our
The VESTEC project will tackle                                                                               and ultimately save lives.
                                                     expertise in traditional HPC with
these challenges to make HPC
                                                     that of data, to challenge some of
more interactive and capable of
                                                     the assumptions that the current
processing raw data arriving in real
                                                     generation of HPC machines are
time, so creating a tool for use in
                                                     built upon. I think it is going to be                      Meet us at SC’18
urgent decision-making. It is our
                                                     fascinating to see how, over the
hypothesis that combining HPC                                                                                   Our BoF at SC18, “HPC meets
                                                     next three years of the project, the
computational models with real-                                                                                 Real-Time Data: Interactive
                                                     technology and techniques that we
time data will significantly aid in                                                                             Supercomputing for Urgent
                                                     will develop as part of VESTEC
urgent decision-making, ultimately                                                                              Decision Making” will run
                                                     contribute to solving the challenges
saving lives and reducing economic                                                                              between 12:15 and 13:15 on
                                                     we have identified and their
loss.                                                                                                           Thursday 15th November. If
                                                     resulting wider societal impact.
VESTEC is focusing on three use                      VESTEC is funded by the EU’s Horizon2020
                                                                                                                you are going to SC, it would
cases: forest fires, the impact of                   programme. It started in September 2018 and will           be great to see you there!
                                                     run for three years. The project has eleven partners,
space weather (specifically the                      each with a different area of expertise.

The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                                                                  9
News - The Bayes Centre: EPCC's new home at the heart of the Data Driven Innovation Programme and supercomputing in the UK - The University of ...
Your data is
                                                                         secure with
                                                                              EPCC!
                                                                                  The UK Research Data Facility, hosted by EPCC.
                                                                                  Image: Craig Manzi.

EPCC has recently been certified for the ISO 27001 Information Security
standard for all the HPC and Data Services that we run, including ARCHER,
Cirrus, the RDF, Farr National Safe Haven and Tesseract.

Here at EPCC we aim to be a leader       datasets hosted and managed by           Anne Whiting, EPCC
in the secure hosting and                EPCC. Key to the success of EPCC         a.whiting@epcc.ed.ac.uk
management of huge and varied            in providing data services is trust
datasets to support data                 from its customers that it provides
research. For example we host and        best practice in information security
manage Safe Havens on behalf of          and data handling. ISO 27001
the Farr Institute and Scottish          certification introduces a framework
Genome Partnership, with a Safe          to deliver best practice and to
Haven for the Alan Turing Institute      demonstrate this achievement to
under development.                       our customer and user base.
A Safe Haven is a secure                 ISO 27001 is a specification for an
environment in which data is linked      information security management           BUSINESS ASSURANCE

                                                                                   MANAGEMENT SYSTEM CERTIFICATION
and accessed. It provides a high         system (ISMS). An ISMS is a
powered computing service, secure        framework of policies and
                                                                                  About         ISO 27001
                                                                                   A value to communicate
                                                                                   Guidelines with year
                                                                                   September 2016

analytic environment, secure file        procedures that includes all legal,      ISO 27001 requires management
                                                                                   SAFER, SMARTER, GREENER

transfer protocol for receipt of data,   physical and technical controls          to:
and provision of a range of analytic     involved in an organisation’s
                                                                                  Systematically examine the
software. Safe havens allow data         information risk management
                                                                                  organisation’s information security
from electronic records to be used       processes.
                                                                                  risks, taking account of the threats,
to support research when it is not
                                         EPCC has designed an ISMS to             vulnerabilities, and impacts;
practicable to obtain individual
                                         provide services and systems to
patient or subject consent, and                                                   Design and implement a coherent
                                         meet the terms of the relevant
protect patient or subject identity                                               and comprehensive suite of
                                         contracts and agreements with
and privacy. Data from different                                                  information security controls and/or
                                         respect to confidentiality, integrity,
sources can be linked to answer                                                   other forms of risk treatment (such
                                         accessibility and availability. It has
specific research questions, subject                                              as risk avoidance or risk transfer) to
                                         also been designed to meet the
to the required information                                                       address those risks that are
                                         information security risk appetite of
governance.                                                                       deemed unacceptable; and
                                         its stakeholders. With ISO 27001
The University of Edinburgh is set to    and ISO 9001 Quality Management          Adopt an overarching management
play a key role in the Edinburgh and     certifications, we are confident that    process to ensure that the
South East Scotland City Region          we have the processes and                information security controls
Deal, delivering the deal’s Data-        information security framework           continue to meet the organisation’s
Driven Innovation programme.             which deliver best practice services     information security needs on an
Underpinning new data innovation         to our customers and provide a           ongoing basis.
hubs across the University will be       mechanism to continually improve
an exciting new facility for the         our services to meet customer and
secure and trustworthy hosting and       user requirements.
analysis of huge and varied

10
Scottish Administrative
      Data Research Partnership
                                                                                               © iStock.com/Rawpixel

EPCC has received funding via the Economic and Social
Research Council (ESRC) to continue its work with the
Scottish Administrative Data Research Partnership (S-ADRP).
The aim of the partnership is to                      ensure that legal and ethical            Mark Sawyer, EPCC
enable research that leads to policy                  practices (such as the removal of        m.sawyer@epcc.ed.ac.uk
decisions that will in turn will help                 data that enables identification of
Scotland progress towards the                         an individual) are followed.
vision outlined in the National
                                                      The technical infrastructure that will
Performance Framework. This
                                                      support this is a Safe Haven
framework helps to shape high level
                                                      operated by EPCC, which protects
research priorities for Scottish
                                                      patient identity and privacy while
Government, including tackling
                                                      allowing data from electronic
poverty, providing quality jobs and
                                                      records to be used to support
fair work for all, and ensuring that
                                                      research when it is not practicable
we live in inclusive, empowered,
                                                      to obtain individual patient consent.
resilient and safe communities.
S-ADRP consists of a number of                        The partners are currently
Strategic Impact Programmes                           investigating ways to link the data
(SIPs) each dealing with a research                   derived from various databases so
priority.                                             that it can be used by researchers
                                                      working in the SIPs. This linked data
Underpinning all this is data.
                                                      must provide the information
EPCC’s role in the partnership will
                                                      needed by the researchers to derive
be to help provide research-ready
                                                      useful findings, but must also
data from the numerous sources
                                                      preserve the privacy of individuals
that will be needed to support
                                                      according to the governance
policy-making decisions. These
                                                      policies.
sources include health and
educational records, police and                       In addition to this is the task of
judicial databases, census data and                   making the data ready for research.
emergency services data. Of                           This includes ‘cleaning’ the data (for
course, there are governance issues                   example identifying and dealing
related to the use of this data, as it                with records containing data that is       Scottish Administrative
comes from many sources and                           clearly out of range) and, since the       Data Research Partnership
contains sensitive information. The                   databases will be large, optimising        https://adrn.ac.uk/about/
framework that will allow                             them to support the types of query         network/scotland/
researchers to use this data must                     that the researchers will generate.

The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                             11
Analysing
humanities
data using                                                                     Plot of proportion of books mentioning
                                                                               ‘cholera’ against publication date.

Cray Urika-GX
In our role as members of the Research Engineering Group of the Alan
Turing Institute, we have been working with Melissa Terras, University of
Edinburgh’s College of Arts, Humanities and Social Sciences (CAHSS), and
Raquel Alegre, Research IT Services, University College London (UCL), to
explore text analysis of humanities data.

Our collaboration aimed to run text    access the DataStore via the mount
analysis codes developed by UCL        points. Also, by moving the data to
upon data used by CAAHSS to            Lustre, we minimised the need for
exercise the data access, transfer     data movement and network
and analysis services of the Turing    transfer during analysis.
Institute’s deployment of a Cray
                                       To exercise Urika’s data analytics
Urika-GX system.
                                       capabilities, we ran two text           The Cray Urika GX
We used two data sets of interest to   analysis codes, one for each
CAHSS and hosted within the            collection, which were initially        system is a high-
University of Edinburgh’s DataStore:   developed by UCL with the British       performance analytics
British Library newspapers data        Library.                                cluster with a pre-
(around 1tb of digitised newspapers
from the 18th–20th centuries), and
                                       UCL’s code for analysing the            integrated stack of
                                       newspapers data is written in
British Library books data (around
                                       Python and runs queries via the
                                                                               popular analytics
224gb of compressed digitised
                                       Apache Spark framework. A range         packages, including
books from the 16th–19th
centuries). Both are collections of
                                       of queries are supported eg count       Apache Spark, Apache
                                       the number of articles per year,
XML documents, but have been
                                       count the frequencies of a given list
                                                                               Hadoop, Jupyter
organised differently and conform to
                                       of words, find expressions matching     notebooks and
different XML schemas, so affecting
how the data can be queried.
                                       a pattern.                              complemented by
To access both data sets from
                                       UCL’s code for analysing the books      frameworks to develop
within Urika, we mounted the
                                       data is also written in Python and      data analytics
                                       runs queries via mpi4py, a wrapper
DataStore directories into our home
                                       for the message-passing interface       applications in Python,
directories on Urika using SSHFS.
We then copied the data into Urika’s
                                       (MPI) for parallel programming.         Scala, R and Java.
                                       However, work had been started on
own Lustre file system. We did this
                                       migrating some of these queries to
because, unlike Urika’s login nodes,
                                       use Spark. A range of queries are
Urika’s compute nodes have no
                                       supported eg count the total
network access and so cannot
                                       number of pages across all books,

12
count the frequencies of a given list                 how these occurrences change over                       Rosa Filgueira and Mike Jackson,
of words, etc. This code is                           time. Taken together, one can                           EPCC
complemented with a set of Jupyter                    examine the extent to which                             r. filgueira@epcc.ed.ac.uk
notebooks to visualise query results                  references to specific diseases                         m.jackson@epcc.ed.ac.uk
and to perform further analyses.                      change in literature over time.
To run the codes within Urika we                      We compared the results of running
needed to modify them both to run                     the modified code on Urika to the
without any dependence on UCL’s                       original results and they were
local environment, and instead                        generally consistent but with some
access data located within Lustre.                    anomalies which we identified as
As a result, the modified                             arising from data missing from the                       Our updated codes and
newspapers code now allows the                        books data set held within                               documentation on how to run
location of XML documents to be                       DataStore, which has been reported                       them are publicly available on
specified using either URLs or                        back to Melissa.                                         GitHub.
absolute file paths. The modified
                                                      Urika is designed with the use of                        • Newspaper code:
books code now runs its MPI-based
                                                      Spark in mind and Spark is well-                            http://bit.ly/2EQrYvS
queries via Urika’s Apache Mesos
                                                      suited for this form of text analysis.
resource manager.                                                                                              • Books code (Spark version):
                                                      Migrating the mpi4py books queries
For the books data, Melissa                           to Spark would be a good area for                           http://bit.ly/2qeCwL7
suggested that we try to reproduce                    future work, combining this with the                     • Books code (MPI version):
the results from her Jisc Research                    newspapers code which already                               http://bit.ly/2ES63EJ
Data Spring 2015 project at UCL.                      uses Spark and can handle several
This project developed queries to                     XML Schemas. This would then                             • Jupyter notebook for books:
search for the names of thirteen                      yield a single code, with a common                          http://bit.ly/2JmcIoZ
diseases (eg “cholera”,                               underlying data model, that could
“tuberculosis” etc) and return the                    run queries across both the                              Research Engineering Group of
total number of occurrences of each                   newspapers and books data.                               the Alan Turing Institute
name, and to then to normalise the                    This work was funded by Scottish Enterprise as           www.turing.ac.uk/research/
results by the number of books,                       part of the Alan Turing Institute-Scottish Enterprise    research-engineering
pages and words per year to see                       Data Engineering Programme.

The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                                                13
Left: Students of the Class of 2019 during
                                                                              Induction Week. Image: Mario Antonioletti.
                                                                              Above: Part of the MSc students’ new
                                                                              communal work area in the Bayes Centre.

New beginnings
                                                                              Image: Mark Reynolds.

An update on our MSc programmes in High Performance
Computing (HPC) and HPC with Data Science.
Every new academic year is filled       programmes and their new city, and    Ben Morse, EPCC
with new beginnings, and 2018/19        also staff, who were acclimatising    b.morse@epcc.ed.ac.uk
is certainly not short of them with:    to teaching in the new location of
                                        the University’s Central Area. EPCC
• 36 students commencing their
                                        has always welcomed students into
                                                                              Farewell to the
   studies on the MSc programmes
• EPCC’s first year in its new home
                                        the heart of the centre’s community   class of 2018
                                        and the design of our space in the    The class of 2018 graduated in
   in the Bayes Centre in the
                                        Bayes Centre emphasises this, with    November, with 20 students
   University’s Central Area
                                        our MSc and PhD students having       completing the programme. We
• Increased cooperation with the       study space in the building and
   School of Informatics                                                      wish them well in their next
                                        sharing facilities with staff.        endeavours, which range from
• Four new courses in the MSc                                                PhDs within the University to
                                        Curriculum changes
   programmes and four new                                                    careers with multinational
   Personal Tutors                      As well as enjoying new facilities,   companies. One of the class of
• A scholarship and industrial         the Class of 2019 will be our first   2018 has already become a
   dissertation project with the        cohort to take the programmes’        Teaching Assistant on the
   Registers of Scotland to celebrate   newly streamlined Degree              programme, while two members of
   its 400th anniversary                Programme Table and four new          TeamEPCC at this year’s ISC
                                        optional courses (see EPCC News       Student Cluster Competition have
Welcoming the Class of 2019             83 for details).                      returned to talk to the current class
The first cohort of EPCC students       Staffing Update                       about their exploits and encourage
to call the Bayes Centre ‘home’ is                                            those who might follow in their
our Class of 2019: 36 students of       The increased size of the MSc
                                                                              footsteps at ISC 2019.
16 nationalities with backgrounds       programmes necessitated a larger
as diverse as biology, electrical       student support team and we are
engineering, economics, computer        delighted to welcome Arno Proeme,       Read about our MSc
science, and physics.                   Darren White, Weronika Filinger (an     programmes, including our
                                        MSc in HPC alumna), and Jane            industry-based projects, on the
Induction Week proved to be a new       Kennedy (a second-generation
experience for students, as they                                                EPCC website:
                                        member of EPCC staff) as Personal       www.epcc.ed.ac.uk/msc
familiarised themselves with the        Tutors.

14
Online learning
at EPCC
Our online learning options allow you to study
with us wherever you are in the world.

Supercomputing MOOC                                  service. The final week consolidates   David Henty and Jane Kennedy,
                                                     learning by going through several      EPCC
In Summer 2017, EPCC in                              HPC case studies. In particular, the   d.henty@epcc.ed.ac.uk
collaboration with SURFsara in the                   topic of Quantum Computing             j.kennedy@epcc.ed.ac.uk
The Netherlands launched the first                   captured the imagination of this
Supercomputing MOOC on the                           cohort!
FutureLearn platform.
Massively open online courses
                                                     Technical online courses
(MOOCs) are free courses delivered                   EPCC is also starting to deliver
over a relatively short period. This,                more technical courses online.
plus the mode of delivery through                    Complementing the long-running
videos, articles, and discussion                     series of ARCHER Virtual Tutorials
forums, means they can be run                        (usually held at 3pm on the second
even with a very large audience,                     Wednesday of each month), we
(hence ‘massive’). The number of                     now run parallel programming
participants for the latest run of our               courses using the Blackboard
                                                                                            Image: FutureLearn
Supercomputing MOOC was                              Collaborate webinar system to
smaller than for previous iterations,                deliver live audio and video, and
however we still had over 900                        enable interaction with remote           Our free 5-week Supercomputing
people register in 95 countries.                     attendees via chat sessions.             MOOC is designed for
There is no programming required                     In 2018 we ran both the MPI and          anyone interested in leading-
or involved in the course. Instead                   OpenMP courses online, with              edge computing technology.
concepts such as message passing                     attendees given access to EPCC’s         Registrations are open for
and shared memory are explained                      Tier2 HPC system, Cirrus, for            the next run (start date to be
using simple analogies that are                      practical sessions. Sessions are         confirmed). See:
easier for non-technical learners to                 typically run over four consecutive      www.futurelearn.com/courses/
visualise and understand. For                        Wednesday afternoons with around         supercomputing
example, Amdahl’s Law is explained                   two hours of lecture content per         Our MPI and OpenMP courses
by looking at the speed-up when                      week. The format is designed to          will run again in 2019. See the
travelling via Concorde versus a                     give attendees time to attempt the       ARCHER training pages for
jumbo jet over varying distances but                 hands-on practical exercises in the      information, also for details of
with fixed times for check-in, travel                gap between each session, and we         upcoming face-to-face training
to and from the airport, and so on.                  spend time reviewing the previous        evens and virtual tutorials:
                                                     exercises at the start of each week.     www.archer.ac.uk/training/
In addition to parallel programming,
                                                     The ability to easily share the
our Supercomputing MOOC also                                                                  Read about all our online
                                                     presenter’s screen means that we
covers HPC hardware, from the                                                                 offerings at:
                                                     can do live coding sessions to
basics of computer hardware to                                                                www.epcc.ed.ac.uk/online-
                                                     explain key points from the
examining a blade from HECToR,                                                                learning
                                                     exercises or to answer questions.
the UK’s previous supercomputing

The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                                 15
SpiNNaker
arrives at
EPCC
The SpiNNaker neuromorphic high-performance computing                                            Alan Stokes and the SpiNNaker machine at
platform, which aims to run 1% of the human brain in real time,                                  EPCC in the Bayes Centre. Alan will be at
                                                                                                 the Bayes for three weeks each month.
arrived at EPCC this year. SpiNNaker is a novel hardware
platform due to its massive parallelism, multi-cast
communication fabric and low power design.
The SpiNNaker communication            from the get go. This all makes                           Alan Stokes, School of Computing
fabric takes a very different          SpiNNaker a very interesting                              Science, University of Manchester
approach to normal HPC systems.        environment to work with.                                 stokesa6@cs.man.ac.uk
It is designed to be efficient in
                                       SpiNNaker at the Bayes
sending small data packets very
quickly to many places, instead of     The SpiNNaker machine directly
the standard approach of large         available to users in the Bayes is a
blocks of data to be sent to a few     three-board toroid, which provides
places periodically. With HPC          the user with up to 2304 Arm cores
systems becoming more multi-core       to work with as shown in the image
systems, a platform such as            here.
SpiNNaker is in an interesting
                                       Any user who requires more
position to explore massive parallel
                                       resources can get access to the half
designs.
                                       million cores currently available
As each SpiNNaker chip is benched      from Manchester University. This
at 1W, the entire one-million core     machine will have grown to one
machine utilises approx. 140kw of      million cores by the end of the year.
power, when taking into account
                                       Current plans for use of the
the cooling and the FPGAs that
                                       SpiNNaker platform at the Bayes
each board uses to create the                                                                       Find out more
                                       include supporting research into
torus-shaped communication                                                                          To learn about SpiNNaker or
                                       executing MicroPython in a
fabric. This is a magnitude lower                                                                   how to utilise the platform
                                       distributed fashion, as well as
power than HPC systems for the                                                                      speak to me directly, or
                                       supporting the standard users in
same processor capability, and is a                                                                 contact the SpiNNaker team
                                       computational neuroscience. Please
step towards future HPC systems,                                                                    through the user mailing list:
                                       keep an eye out for Masters
which need to reduce the power                                                                      https://groups.google.com/
                                       projects which will use the
used to operate them in today’s                                                                     forum/#!forum/spinnakerusers
                                       SpiNNaker platform for a multitude
culture. Applications that work
                                       of uses.                                                     http://apt.cs.manchester.ac.uk/
efficiently on the SpiNNaker
machine are likely to also work well   [1] Full-scale simulation of a cortical microcircuit on      projects/SpiNNaker/
                                       SpiNNaker.
when ported back to traditional                                                                     http://apt.cs.manchester.
                                       [2] ATIS + SpiNNaker: a Fully Event-based Visual
HPC systems, as SpiNNaker forces       Tracking Demonstration.                                      ac.uk/ftp/pub/apt/papers/
the user to think about their          [3] https://groups.google.com/forum/#!forum/                 LAP_IEEEDandT_07.pdf
problem in a distributed fashion       spinnakerusers
                                       [4] http://www.cs.man.ac.uk/~stokesa6/

16
On the
frontline of
energy-efficient
computing
                                                                                             One of the ACF’s roof-mounted
                                                                                             dry air cooling towers.

The Advanced Computing Facility (ACF) on the outskirts
of Edinburgh is the high performance computing data
centre of EPCC.
Built in the 1970s and operated by                    Manager Calum Muir, I also have        Paul Clark, EPCC
EPCC since the turn of the                            overall responsibility for the HPC     p.clark@epcc.ed.ac.uk
millennium, the ACF site has had                      Systems team who design, build,
significant investment over the                       commission, host and support a
years. At present, there are three                    number of HPC systems within the
Computer Rooms, imaginatively                         ACF, including the National Tier 1
called: Computer Room 1 (CR1),                        and Tier 2 systems, ARCHER and
Computer Room 2 (CR2), and                            Cirrus, to name a few.
Computer Room 3 (CR3).
                                                      We have the experience and skills
Each hosts specific HPC equipment                     to help continue to deliver future
and is supported by associated                        systems and projects, and relish
                                                                                             Any data centre is an
plant rooms which provide                             working at the bleeding edge of        exercise in
dedicated power and cooling                           technology and innovation.             thermodynamics – a
infrastructure for each room. We
have several pieces of equipment
                                                      As an example (as EPCC Director        computer turns
and racks at our site which are
                                                      Mark Parsons explained in EPCC         electrical energy into
                                                      News 83), the University of
“traditionally” air cooled, but the
                                                      Edinburgh and EPCC will play a         heat energy as it runs,
majority of our equipment and
speciality high-performance
                                                      major role in the Edinburgh and        which in turn has to be
computers are water cooled.
                                                      South East Scotland City Region        managed and cooled.
                                                      Deal by delivering the deal’s Data-
Yes. Water and electricity!                           Driven Innovation Programme.           By utilising water to
Thanks to the Scottish climate, for                   At the heart of this programme is
                                                                                             help with the cooling
much of the year the ACF benefits                     the World-Class Data Infrastructure    process of the
from something called free cooling.                   (WCDI). This is the development        machines, which is
The water which supports our                          and delivery of a new, state-of-the-
cooling infrastructure is pumped to                   art computer room at the ACF to
                                                                                             significantly more
our roof-mounted dry air cooling                      accommodate the underpinning           effective than air alone,
towers and back again, allowing the                   infrastructure for the City Region     the ACF is an extremely
(cold!) outside temperature to cool                   Deal.
our water as it passes through
                                                                                             efficient data centre.
                                                      This will be called, you’ve guessed
them. It is only on extremely warm
                                                      it, Computer Room 4 (CR4)!
summer days when there is no free
cooling and we need to use our                        Future editions of EPCC News will
large-scale mechanical chillers to                    provide updates to this exciting
cool the water circuits.                              project and the development of our
                                                      future masterplan.
Alongside the management of the
data centre with our Data Centre

The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                             17
Making complex
                        machines easier
                        to use efficiently
                                                                                © iStock.com/matejmo

Supercomputers are getting more complex. Faster components would be
impossible to cool but, by doing more with less, we can still solve bigger
problems faster than ever before.

Hardware designers are trying           to give high performance but avoid      Dan Holmes, EPCC
innovative designs and novel            requiring the user to know about, or    d.holmes@epcc.ed.ac.uk
hardware options such as the new        deal with, the intimate details of
tensor unit in Volta GPUs, compute-     each piece of novel hardware in
in-network capabilities, and several    each machine. Other partners will
new technologies for memory –           investigate how MPI and GPI can
HBM, NVM, storage class memory          be used directly on GPUs and
and others. Future supercomputers       FPGAs.
will combine all of these specialised
                                        In collaboration with other partners,
hardware components to create
                                        EPCC will also help to define
general-purpose computing
                                        suitable abstractions for memory
resources, but how much of this
                                        usage, and create a unified interface
complexity should be exposed to,
                                        applicable to all memory and
and controlled by, programmers?
                                        storage devices. The intention is
What will that new functionality look
                                        that this will make programming
like? How can we get high
                                        easier because code will be more
performance of applications and
                                        portable, even between hardware
high efficiency of resource usage?
                                        devices and components with
The vision of the EPiGRAM-HS            vastly different capabilities.
project is to enable extreme scale
                                        A further technical challenge in the
applications on heterogeneous
                                        project is how to integrate novel
hardware. This means figuring out
                                        compute hardware such as FPGAs.
how to use new hardware
                                        This is partly a scheduling problem:
capabilities and how to combine
                                        on which compute device should
different components to get the
                                        each piece of code execute? And
best result. Together we will look at
                                        partly it is an API design choice:
the challenge from four directions:
                                        how should novel compute
network, memory, compute, and
                                        capability be exposed to
applications.
                                        programmers?
EPCC will focus on exploiting                                                     The EPiGRAM-HS project is part
                                        All of the work at the programming
heterogeneity for high performance                                                of the EU’s Horizon 2020. The
                                        model level and on prototype
communication, building on proven                                                 project partners are: KTH, ETH,
                                        implementations will be validated
programming models. We will use                                                   EPCC, Fraunhofer, Cray, and
                                        using real applications. The partners
the newly standardised interface for                                              ECMWF.
                                        have expertise in traditional HPC
persistent collective operations in
                                        applications like Nek5000, iPIC3D,        To stay up to date with the
MPI to implement efficient high-
                                        and IFS, and also in data science         project, please subscribe to our
level communication patterns. Here
                                        applications like lung cancer             quarterly newsletter by visiting
the aim is to hide as much of the
                                        detection using TensorFlow. The           our website:
hardware complexity as possible
                                        project will also push for changes to
and instead give the user access to                                               https://epigram-hs.eu
                                        international standards to support
a high-level abstraction. The goal is
                                        heterogeneous systems.

18
eCSE programme:
funding software
development for
UK computational
science                                                                                       Hull University’s VOX-FE is a bespoke bone
                                                                                              modelling software tool for in silico experiments
                                                                                              such as testing bone growth under stressed
                                                                                              conditions. The eCSE programme enabled
                                                                                              EPCC to work with Richard Fagan at Hull to
The embedded Computational Science and Engineering (eCSE)                                     greatly improve VOX-FE’s modelling capabilities
programme has allocated funding to the UK computational science                               on machines such as ARCHER.

community over a period of six years. Integral to ARCHER, the National
HPC Service, there has been a series of regular eCSE Calls to fund
software development activities.

The last of the Calls has now closed                  science skills base and provide         Lorna Smith, EPCC
and all funding has been allocated.                   expert assistance and high quality      l.smith@epcc.ed.ac.uk
Although a number of projects are                     RSE work embedded within
still on-going, this seems a good                     research communities across the
time to review the benefits of the                    UK. As the map (right) shows,
programme and to see whether its                      technical staff have been spread all
aims have been met.                                   across the UK.
The programme aimed to:                               Enhancing the quality, quantity and
                                                      range of science produced on the
• Enhance the quality, quantity and
                                                      ARCHER service is obviously core
   range of science produced on the
                                                      to the programme. Scientific output
   ARCHER service through
                                                      and impact will continue to be
   improved software.
                                                      delivered throughout the lifetime of
• Develop the computational                          the ARCHER service and beyond,
   science skills base, and provide                   hence the full scientific benefit of
   expert assistance embedded                         the programme will not be known
   within research communities,                       and realised for some time.
   across the UK.                                     However one metric we can
                                                      measure is the financial saving
• Provide an enhanced and
                                                      achieved from a number of projects.
   sustainable set of HPC software
                                                      Many projects involved
   for UK science.
                                                      performance optimisation, resulting     The location of the technical members of staff on all
To achieve this we set out to                         in a reduction in CPU utilisation and   eCSe projects, with darker colours representing a
                                                                                              greater number of people.
provide a high quality, fair and                      a related financial saving. This
objective eCSE selection process,                     saving is re-invested to allow
delivering maximum value to the                       scientists to achieve more science
community. Selection was made by                      from the same resource allocation.
a series of independent panel
                                                      Carrying out these measurements is
members, we had regular Calls, and
                                                      tricky, but helps demonstrate the
the programme was not-for-profit,
with all funds being spent on
                                                      value of investment in software           Embedded CSE webpages
                                                      development and research software
projects. In total, 46 institutions                                                             For further information and
                                                      engineering. Overall the eCSE
were involved across 100 eCSE                                                                   project reports, see:
                                                      programme cost around £6m and to
projects.
                                                      date we have seen a reported              www.archer.ac.uk/community/
A key outcome of the eCSE                             benefit of around £21m, a more            eCSE/
programme relates to people. We                       than three times return on
aim to develop the computational                      investment.
The newsletter of EPCC, the supercomputing centre at the University of Edinburgh                                                                  19
Exploratory
image analysis
in cell biology                                                                 © iStock.com/the-lightwriter

PickCells is an image analysis platform developed by the Centre for
Regenerative Medicine (CRM) at The University of Edinburgh. It combines
generic image analysis algorithms, visualisation modules and data mining
functionality within a stand-alone Java application.

PickCells provides a graphical         developed using the Hugo static          Mike Jackson, EPCC
environment within which biologists    website generator to render content,     m.jackson@epcc.ed.ac.uk
can study multidimensional             and GitLab’s continuous integration
biological images and explore 3D       functionality, GitLab CI, is used to
spatial relationships between          trigger rebuilds of the website in
objects within complex biological      response to any changes in
systems such as stem cell niches,      documentation held within any of
organoids, and embryos.                the source code repositories.
Since January 2018, EPCC has           During our collaboration, Sally
been working with CRM on the           secured a Wellcome Trust
development of the platform and its    “enrichment” award to support
supporting resources.                  further collaboration on PickCells.
                                       This next phase of work, which
My EPCC colleagues Elena
                                       began in September, seeks to
Breitmoser, Arno Proeme and
                                       improve the usability of PickCells for
myself worked with CRM’s Sally
                                       biologists who wish to extract
Lowell and Guillaume Blin to take
                                       information from their imaging data.
PickCells into a state suitable for
more widespread promotion with         Our objectives are to:
the intention of encouraging deeper
                                       •d
                                         evelop an in-application
community engagement by users
                                        interactive assistant to help users
and developers. We focused on
                                        get started with analyses using
creating a website for users,
                                        PickCells filter information
developers and contributors and
providing consultancy on               •p
                                         roduce video tutorials                  The PickCells website is still in
developing and supporting open                                                    development, but please feel
                                       •u
                                         ndertake a usability evaluation of
source software.                                                                  free to visit it at:
                                        PickCells
PickCells is highly-modular, and the                                              https://pickcellslab.frama.io/
                                       •u
                                         pdate PickCells and its
documentation for each component                                                  docs/
                                        supporting resources based upon
is held within the associated source
                                        the outcomes of this usability            Our work was funded by the
code repository for that component.
                                        evaluation.                               Wellcome Trust Institutional
These source code repositories are
hosted by Framagit, a deployment       We look forward to reporting on our        Strategic Support Fund and The
of GitLab for free open source         experiences in a future post.              Software Sustainability Institute.
software. A website framework was

20
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