The Hartree Centre A Research Collaboration in Association ... · The HPC Staffing Shortage Will...
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The Hartree Centre A Research Collaboration in Association with IBM Professor Terry Hewitt Project Delivery Executive ([email protected])
Transcript of The Hartree Centre A Research Collaboration in Association ... · The HPC Staffing Shortage Will...
The Hartree Centre
A Research Collaboration in Association with IBM
Professor Terry Hewitt
Project Delivery Executive
Outline
What’s so good about HPC?
STFC
SCD
Hartree Centre
– What we do
– Facilities and Resources
– Capabilities
– 2 Examples
IDC said ….
Software leadership will become the New Battleground
– Only 1% of HPC codes can exploit 10,000 or more cores
– There May Be More Emphasis on Software … Finally
Big Data Methods Will Start to Transform the HPC Market,
Including Storage
– HPC and commercial Big Data are starting to collide
Petascale Performance on Big Systems Will Create New
Business Opportunities
The HPC Staffing Shortage Will Grow More Acute
Return on investment
UK tax revenues exceed 35% of GDP
– Forecast tax revenue for 2016 is >£700,000M
– Forecast GDP for 2016 is >£2,000,000M
A 0.1% increase in GDP leads to additional annual £700M in
tax revenues (net taxes & NI contributions)
– IDC & others forecast a much greater increase in GDP than this
So a £145M investment shows a pretty decent return on
investment; even a 0.01% increase in GDP pays for itself after
2 years
And, by the way, we paid £6.3M in VAT for our HPC systems!
Some examples
Product design and performance
Design and test of new medicines and drugs
Understanding the origins of the universe
Designing safer and more efficient vehicles
Understanding climate change
Predicting tomorrows weather, floods, …
Finance, insurance, investments
What is HPC used for?
How long to make 109 pringles?
• Aerodynamics
• How long does it take for the oil to drain away?
Free surface flow on & through compressible partially saturated
porous material
Braun Shaver – drop it on floor
Peeling of Yogurt cartons
Virtual Filling
Bottles on a production line
HPC in Procter & Gamble
Competitive
Advantage
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w i n g d e s i g n
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S u c c e s s f u l
m u l t i p o i n t o p t i -
m i z a t i o n d e s i g n
C F D f o r
L o a d s a n d
S t a b i l i t y a n d
C o n t r o l
1 1
F a s t e r a n d
m o r e e f f i c i e n t
t h a n p r e v i o u s
a i r c r a f t
Wind Tunnel
vs. CFD
Boeing
Products
CFD
Tools
Increased computational capability & accuracy
Less testing, lower cost, better products
base 4x
60x
CFD runs
1980 1985 1990 1995 2000 2005
Boeing
Tools A502 A488 TRANAIR TRANAIR
Optimization
TLNS3D-MB
ZEUS
CFL3D/ZEUS
CFD++
Unstructured
adaptive grid
3D-NS
Cartesian
Grid Tech
Wings Tested
COPYRIGHT © 2005 THE BOEING COMPANY
CFD Has Significantly Improved
the Wing Development Process
Reduce the following
– Time to market of a design
– Component costs
– Design and certification costs
– Number of destructive tests of components and engines
Increase the quality of the product (via better fidelity of the
simulations)
Reduces service & maintenance costs
Ensure the integrity of the design
Business Benefits
HM Government &
UK National Facilities
ISIS, Diamond, Central Laser
Facility
International Science
Facilities
CERN, ESO, ESRF, ILL
Research in nuclear and
particle physics and astronomy
Scientific Computing Department
160 staff supporting over 7500 users
Applications development and support
Compute and data facilities and services
Research: > 100 publications pa
Deliver >3500 training days pa
Systems administration, data services, high-performance computing,
numerical analysis & software engineering.
Capital - BIS
– £37.5M spent
– £19M (energy
efficient computing)
Recurrent
– STFC (£2M, £3M, …)
– Our own efforts to
gain income
Adrian Wander
Director SCD
Cliff Brereton Director Hartree Centre
Peter OliverHead of Technology
A N OtherHead of
Applications
Dave Corney Head of Systems
Juan BicarrguiHead of Data
Services
Micheal GleavesHead of Buisiness Development
John BancroftStrategic Partner Development
Terry HewittDelivery Project Executive
Laura JohnstonHartree Business Support
A N OtherDelivery Project Manager
~40 staff
~40 staff
~40 staff
~40 staff
David Moss
A N Other
A N Other
Hartree Centre Objectives
Deliver future-proof software capable of exploiting
the most powerful hardware platforms
To make using HPC as easy as using a laptop
Build capacity
Douglas Rayner Hartree
Hartree – Fock
Appleton – Hartree Equation
Differential Analyser
Numerical Analysis
Father of Computational Science
He said in 1946
– It may well be that the high-speed digital computer will have as
great an influence on civilization as the advent of nuclear power.
Douglas Hartree with Phyllis
Nicolson at the Hartree Digital
Analyser at Manchester University
Differential Analyser
Hartree Centre
What? - Deliver ‘Value’
– More innovative products / Services – More Sales
– Reduce time to value and associated R&D unit costs
• Economic Impact
How?
– Creating new software and algorithms
– Optimizing existing software for new architectures
– Utilizing existing software models & Visualization in new use cases
• People, Partners
• Technology, Software assets and IP
– Joint research projects with IBM Research
– Support for marketing & business development from IBM
Who for?
– Academia, Consumer Electronics, Oil & Gas, Healthcare, Life Sciences,
Automotive, Aerospace, Defence, Pharma, Electricity Generators, Banking,
Government Agencies
Hartree Centre Future
Big Data
– Greater Insights (retrospective and real time)
• Volume
• Velocity
• Veracity
Exascale
– Codes for new architectures
– Energy Efficient computing
Hartree@
– Major National / International research centre collaborations
Grand Challenges
The Infrastructure
Hartree Centre
Architecture6/5/2013
WTH Associates Ltd
Atlas Visualization Wall
Visualization
Wall
High End Workstation
ISIC Visualization
Visualization Wall
High End Workstation
RAL
Merrison Lecture Theatre
Visualization Wall
Workstation
Crosfield
Visualization
Wall
High End Workstation
Leverhulme
High End Workstation
8 Nodes
DL
X50
Training Stations
VEC
Visualization Wall
ISIC 7x4 Video Wall
Off
Campus
DL Machine Room
IBM BG/Q
6 racks, 1.23PFlop/s
98,304 cores
9.8 PB RAM
Filestore
GPFS
6PB
iDataPlex
3,648 cores
7.2 TB RAM
48 GPUs
Infiniband
Switch
iDataPlex
ScaleMP
8 x 4TB systems
8x 512 cores
Tape Store
15PB
Remote Graphics Server
NICE EnginFrame
IBM BG/Q BGAS
1 rack, 225TFlop/s
16,384 cores
1.6 PB RAM
Scarf
Emerald
Jasmin
NCCS
User
iPad/Android
iPhone/Android
User
iPad/Android
iPhone/Android
User
iPad/Android
iPhone/Android
Blue Wonder Blue Joule
Applications and Optimisation Software Development HPC On-demand
Collaboration Training and Education
EXAMPLE 1
Consumable HPC 6/24/2013
…and how to make HPC easier to use
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
Input data
EXAMPLE 2
Over a weekend Blue Wonder, was used by the VEC on behalf
of a customer
Run in 24 hours an analysis of 100 design cases
– takes 1 week to run on the customer’s own system
Jobs ran in 27.42 hours
– Follow-up work on a larger problem size was also undertaken,
In total 37,809 jobs were run,
– using 474,762 cpu hours in 90 real-time hours.
Track Record
NW-VEC CFMS
