the hartree centre - home - science and technology ...investments in high performance computing...
TRANSCRIPT
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The Hartree Centre
Professor John L. Bancroft BSc (Hons) FInstSMM
Project Director The Hartree Centre
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Contents
1) Brief history of recent changes in the UK e-infrastructure landscape
2) Business model......our approach to increasing uses and users of HPC
3) What we need to do....how this fits with regional and national service provision
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Political Opportunity
Business Opportunity
Scientific Opportunity
Technical Opportunity
•Demonstrate growth through economic and societal impact from investments in high performance computing
•Engage industry in high performance computing simulation for competitive advantage
•Exploit multi-core.
•Exploit new Petascale and Exascale architectures
•Adapt to multi-core and hybrid architectures
•Build multi-scale, multi-physics coupled apps
•Tackle complex Grand Challenge problems
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Shaping the Future – the e-Leadership Council
Tildesley Report..... Academia, industry (supply/user), RCs, TSB, D-BIS, D of Culture and Media
Making recommendations on how to further develop the UK’s e-infrastructure So far... £145M investment in 2011/12 £600M investment programme to 2015
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The UK e-infrastructure road map
Campus/ Regional HPC e.g HPC - Wales
Special purpose HPC e.g. DiRAC
National HPC e.g. HECToR
Public data analysis cloud
Thematic petabyte
data store
Specialist databases
Software development
HPC
Software development
E - science
Open and accessible
JANET
Cyber - security
Enhance current DTCs
Campus/ Regional HPC e.g - N8 HPC
Special purpose HPC e.g. DiRAC
National HPC e.g. HECToR
Public data analysis cloud
Thematic petabyte
data store
Specialist databases
Software development
HPC
Software development
E - science
Open and accessible
JANET
Cyber - security
Enhance current DTCs
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From BIS Presentation To Cabinet Office Rationale for investment • Focus on leveraging new collaborations and investment into Daresbury to
promote UK economic growth and rebalance the economy; • Bring together communities from academia, Government and industry to
develop a programme of multi-disciplinary projects that will focus on developing multi-scale, efficient and effective modelling and simulation software;
• Provide a step-change in accessibility and usability across many strategic themes, including energy, life sciences, environment, materials, security;
• Develop and demonstrate services to a diverse range of end users to demonstrate the value of software development to them and the positive effects on their products;
• Host truly world class, next generation HPC systems as software development and demonstration platforms;
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UK e-Infrastructure Investment
• £145M in 2011/12 funded by BIS covering 6 strands: – Skills and training – High capacity network (JANET) – Data storage, and curation – Advanced software development...The Hartree Centre – Security and resilience – HPC hardware
• National facilities (ARCHER) • Distributed facilities (e.g. DiRAC)
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Big Data and other Investments £600+M funded by BIS covering 8 strands: 1. £189 million on Big data and energy efficient computing 2. £25 million in funding has been awarded to the National Space Technology
Programme 3. £35 million will be spend on building robotics systems around universities and
innovation centres 4. £45 million will be spent on advanced materials research. 5. £30 million will go towards R&D facilities specialising in new grid scale storage
technologies 6. £50 million will be used to upgrade research equipment and labs 7. £25 million allocated to the Advanced Metrology Laboratory at the National
Physical Laboratory. 8. £65 million will go towards developing four particular research
institutes: Rothamsted, Aberystwyth, Harwell and SciTech Daresbury.
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STFC’s contribution to the e-infrastructure initiative
A home at Daresbury for The Hartree Centre, a Centre dedicated to the development and demonstration of software, across all application areas, to enable full exploitation of the hardware provided in the capital investment......
.......The Hartree Centre
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Facilities and Resources at Daresbury
• BlueGene/Q 98,304 computer cores - future-proofing • Over 5 PB disc and 15 PB tape stores – “quick” wins • iDataplex cluster • Data Intensive systems • Visualisation Suites • Training Suite •Collaboration with IBM.........>10 FTEs/yr for 3 years •Sci-Tech Daresbury
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Visualisation = accessible data
Virtalis ActiveWall – 8 channel
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The role of the Hartree Centre
• Drive the adoption of “HPC” across UK industry – to improve their competitiveness and generate
wealth with next-generation applications and cloud-enabled user interfaces
• Delivering step-change improvements in software functionality and scalability in order to address grand challenge problems
• Establish a world-class “HPC” technology & skills development centre in Daresbury
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IBM’s Vision
New Innovations New Services UK Economic Benefit
Creation of IBM Innovation Centre
Research Collaboration Industrial Engagement
Build High Performance Computing Capacity, Capability and Skills
STFC Co-Laboratory becomes an IBM High Performance Computing hub for UK and Europe - Research & Development Capability
Linked to US and European Research Labs Supported by Manchester & Hursley labs
- Diverse Industry outreach High Performance Computing enabling and
optimisation services Building research links with Industry On-demand production services (Cloud)
- National Labs status International reputation (EG LLNL, Juelich) Showcase for IBM partnership
- Diverse technical infrastructure Test bed for IBM and partner technologies Production ready systems for use by industry
Daresbury established as the key national resource for UK Industry
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A centre for excellence in Virtual Engineering
Driving results through technology collaboration
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Partners
JVEER AEROSPACE LIMITED
IPHESTOS SYSTEMS LTD BIO-TECH SERVICES INDUSTRIOUS MEDIA BRUCEWORKS LTD GEOFFREY HUNT LTD
SPRAYDOWN DEVELOPMENTS SUAVE UAV TECHNOMOT LTD
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Business Model
Strategic partnership (multi-project) Multi-client project (shared output/shared cost) Public co-funded, e.g.
TSB co-funded RC/HEI co-funded
Quick fixes wherever possible Long term, high gain programmes wherever
required Revenue share (ongoing)
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Collaborative Environment
Training
International Links
Theory & Algorithms
Grand Challenge
Projects
Code Development
Science Expertise
Compute Resources
Software Engineering
Step change solution!
Domain Expertise
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1. We need to empower more partners, e.g. by training
2. We need to “lower the bar” in terms of level of expertise needed by partners by making the applications much easier to use.
3. Engage the ISV community.......change licensing model??
What we need to do
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Some offerings..... 1. Provision of cycles 2. Support to users 3. Consultancy, provision of answers 4. Optimisation of applications for clients 5. Adaptation or rewriting of applications 6. Production of new interfaces and “on-ramps” 7. Development, testing and demonstration of new
applications, interfaces and “on ramps” 8. Training in software development 9. Training in using applications
All in collaboration between service providers and development
platform providers.......including LLNL/PRACE
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Segmentation “Supply” “Delivery” “User” Academia Public sector Industry Engineering Materials FMCG SME Blue Chip
Novice Expert
New contact Long term
existing partner
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Offerings
from to
Cycles/access Consultancy User interfaces Training
New applications Optimisation
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An example.....value for a “user-partner” enabling the use of HPC by chemists......in the lab The value? Faster development of new products
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Smarter Laboratory Experiments - Faster
3/26/2013 Consumable HPC
Scenario: Chemists consult – change experimental design, run multiple simulations from mobile device in the lab to see what best choices of chemicals. Parameters changed at bench on mobile device and results sent back to mobile device.
Multiple Inputs
Results
Overview of Running Jobs
Logs of Jobs