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Supercomputing & Design



Professor Simon Cox
Associate Dean, Enterprise
Faculty of Engineering and the Environment
24th July 2012
sjc@soton.ac.uk
Faculty of Engineering


Aeronautics, Astronautics
                                             and the Environment




and Computational
Engineering
Prof Keane - Head of AACE Unit
Prof Simon Cox
Chair, Computational
Engineering and Design Group
Associate Dean, Enterprise
Faculty of Engineering and the Environment
Faculty of Engineering
                                                        and the Environment
AACE Overview
• Three research groups (aeronautics & flight mechanics, astronautics
  and computational engineering & design). Head of Unit: Prof Keane

• 30 members of academic staff holding £13m of research grants.

• Three major research centres (Airbus Noise Technology Centre, R-R
  UTC for Computational Engineering, Microsoft Institute for HPC).

• Nearly 80 PhD and EngD students under supervision (major partner in
  DTC for Complexity).

• Linked to highly successful undergraduate and MSc teaching
  programmes (100% student satisfaction in 2008 National Student
  Survey for Aeronautics-Astronautics course; Royal Academy of
  Engineering/Exxonmobil Excellence in Engineering Teaching Award).

                                                                                 3
Faculty of Engineering
                    and the Environment




Design Exemplars

Computational Engineering
and Design Research Group
Faculty of Engineering
                                              and the Environment

Rolls-Royce UTC in Computational
Engineering
PIs: Keane & Scanlan

  5 Academic staff, 9 Research fellows, 11 EngD/PhDs,

  £1.2m per annum external funding (EU/UK Govt/EPSRC)

  Close integration with Rolls-Royce R&T objectives




                                                                       5
Typical Design                                                   Faculty of Engineering

Improvement Flowchart                                            and the Environment



             Initial
             Design                                                                Background
                                                          Geometry                   Effort
                                                            Rule
                             Parametric                    Bases
                                Base
                             Geometry
  Final                                         CAD                  Uncertainty
             Optimiser                                                Models
 Design



                                                Meshing
                                                                       Boundary
                          Search                                       Conditions
              Results
             Extraction                   CFD              CSM




                               Post
                                                              Costs                        6
 PI: Keane                  Processing
Faculty of Engineering
Multi-fidelity Optimization   and the Environment



• 12 geometry variables

• 10 full car RANS
  simulations 15h each

• 120 rear wing only RANS
  simulations 1.5h each




                                                       7
PI: Keane
Faculty of Engineering
                                and the Environment
Multi-scale modelling for nanotechnology
 • Hans Fangohr

 • Nanotechnology length
   scales are close to the
   atomic lattice spacings.

 • Need to consider atomistic
   nature of matter to be
   accurate

 • Need to combine atomistic
   simulations with
   continuum approaches to
   make simulations feasible
Faculty of Engineering
Multi-physics modelling         and the Environment


for nanotechnology
 • Relevant properties

      •   magnetic
      •   thermodynamic
      •   conducting
      •   mechanic
      •   Optical

 • Crucial for Nanodevices to
   consider these together

PI: Fangohr
Faculty of Engineering
                                 and the Environment
Design Optimisation of Nanodevices
 • Magnetic storage, sensors,
   spintronics

 • Prototype fabrication
   expensive vs “cheap”
   Simulation

 • Requires
   – multi-scale simulations
   – multi-physics simulations
 • Computational Design
   Optimisation highly
   beneficial                    PI: Fangohr
Multi-objective, multi-disciplinary
design (coronary stents)                                                                    Faculty of Engineering
                                                                                            and the Environment
 Balloon expansion: structural integrity                                          Haemodynamics: re-endothelialisation




                                               Optimal design: patient specific



 Flexibility: conformability
                                           Systematic design search and optimisation:

                                            Recover and maintain healthy blood flow
                                                                                                         Drug elution:
                                                                                                          control of
                                                                                                          restenosis




         Stress: minimise
         artery wall damage

PI: Bressloff
Future cath-lab                                                                         Faculty of Engineering
                                                                                               and the Environment

                                                            (1) Cath Lab
                                                                                           (2) Stent Design Tool
                                                                                           (a virtual cath. lab)




                          (4) Manufacture




                                                                           (3) The Cloud

(1)   http://www.everydaychampions.org/hospital/cardiac_cath_lab.php
(2)   Stent design tool (N.W.Bressloff)


                                                                                             PI: Bressloff
(3)   http://rohitsaxenawrites.wordpress.com/author/rohitklar/
(4)   http://www.raydiance.com/our-technology
Airbus Noise Technology Centre       Faculty of Engineering

(AFM Group)                          and the Environment



PI: Zhang
• First Airbus-University
  Technology Centre in the World
• Opened November 2008
• Focussing on future aircraft
  technologies for noise reduction
• Fifteen academic staff and
  research students
• Computation and experiment
Sample ANTC projects                                         Faculty of Engineering
(AFM Group)                                                  and the Environment

     LES of noise generated by interaction of aircraft engine with
                           wing (Zhang/Hu)




        Aircraft high-lift device noise generation and control
                                (Zhang/Hu)




      High-speed train aeroacoustics (Hu & Thompson (ISVR) )




PI: Zhang
Faculty of Engineering
                  and the Environment




Under the Hood
… tools, technologies and
platforms
Microsoft Institute for HPC                         Faculty of Engineering
                                                    and the Environment



•   PI: Cox

•   Workflow + HPC + Data

•   Centre for Fluid Mechanics Simulation (CFMS)

•   Flight simulation HPC

•   μVis – X-Ray CT Centre workflow and data
    management

•   Cloud & Mobile computing – space situational
    awareness

•   Institutional and Large Scale Data Management
     – Materials
     – Chemistry
     – Medicine
     – Archaeology
                                                                         16
     – Engineering HPC Data
Faculty of Engineering
                                                                          and the Environment
    Engineering Design - from the Desktop to the Enterprise

•   Engineering design demands integration
    of complex systems to set-up, execute,
    monitor, post-process, review, and store
    computational processes, data and
    knowledge
•   Research to tackle new challenges
•   Applied and customised commodity off-
    the-shelf Microsoft tools, technologies
    and platforms                                                Microsoft Institute for HPC @
•   Collaboration with Rolls-Royce, Airbus,                                       Southampton
    BAE Systems, MBDA, Microsoft, others:      “We demonstrate why, where, and how current and
    20 Million Euro UK TSB (DTI)               future Microsoft tools and technologies can make the
    programme                                     engineering design process faster, cheaper and better.”

                                                                      Launched by Bill Gates, Nov 2005
                                                                                   Initial Research 1998
                                                                                                    17
TAGtivity                      Wiki                      BAE Systems                Rolls-Royce                    Airbus

                                                              Software + Services                                    Robust, reliable and
  Organizing thoughts           Semantic structure,                                      Orchestration of gas
                                                                for connecting                                          scalable data
     and reference                 search and                                              turbine design
                                                             engineers and experts                                        intensive
  material... experience            reasoning                                                calculations
                                                               to users and data                                        collaboration




                     Concept                                Computation                                    Data

                           Individual review                MBDA
                                                      Data Driven Product   Small group review
                                                           Lifecycle
                                                         Management
                                                                                                                Corporate review

                                                               Data sources
                            Wiki database                 Task database
                                                                                     Workflow templates
Tagtivity database          Workflow database             Conversation database                                     Sharepoint database
                                                                                     Workflow tracking
Filesystem                  Knowledge database            Workflow tracking                                         Active Directory
                                                                                     Filesystem
                            Corporate database            Simulation database

                                                                Technology
                                                          Windows Server 2008        Windows Workflow               Sharepoint Server
   Microsoft Office 2007    MediaWiki                     Hyper-V RC0                Foundation                     Active Directory
                                                          Windows HPC Server 2008                                   HP-UX (Interop)
  SQL Server 2005/ 2008     SQL Server 2008                                          Windows CCS 2003
                                                          Beta2                                                     Windows
  Windows Presentation      D2R Server                    SQL Server 2008 CTP6
                                                                                     Linux (Interop)
   Foundation; Matlab       ARQ/SPARQL                                               Visual Studio 2005             Communication
                                                          Office Communication
                                                                                     SQL Server 2005                Foundation
                                                          Server
Exploiting cloud computing
for algorithm development




N. O’Brien, E. Hart, S. Johnston, K. Djidjeli, S. J. Cox
sjc@soton.ac .uk and Neil.OBrien@soton.ac.uk
Case study: photonic crystals
• Nanostructures that affect propagation of light




   Morpho butterfly   Wing cross-section
                                               Man-made example




  Opal                 Peacock’s magnificent   Man-made example   20
                       tail
Strengths of cloud computing
• Algorithm development
   – Time-, data-, compute-intensive
• Data dissemination
   – Sharing large input or output data sets
• Burst capability
   – Testing/parameter sweeping new revisions
• Super-scalability
   – Apply algorithm to big problems



                                                21
Case study: photonic crystal modelling
• Photonic crystals are periodic dielectric structures, we
  assume periodicity in 𝑥 and 𝑦 directions and infinite extent
  in 𝑧




                                                                 22
Maxwell’s Equations
• Maxwell’s equations give the allowed modes of propagation
  for TM, TE modes, after applying standard simplifications

                           1
                         − ∆𝜓 = 𝜆𝜓
                           𝜀
                             1
                       −𝛻 ⋅ 𝛻𝜓 = 𝜆𝜓
                             𝜀
• When the dielectric 𝜀 varies, no analytical solution exists




                                                                23
Algorithms for Photonic Crystal Modelling
•   Plane Wave Methods                                 Gibbs Phenomenon
     – Scale poorly + Gibbs Phenomenon
•   Finite Difference Method
     – Simple to code
                                                       FD Stencil
     – Requires fine mesh for accuracy
                   » Large and Sparse Matrices

•   Finite Element Method
     – Large amounts of code
                                                        FE Mesh
     – Requires fine (complicated) mesh for accuracy
                   » Large and Sparse Matrices

•   Meshless Method
     – Simple to code & data parallel                   Radial Basis
                                                         Function
     – Improved geometry handling
                   » Small and Dense Matrices
                                                                          24
Meshless Method Formulation

•   Maxwell’s equations for 2D problem
                  TE  .        i k .   i k  u   u
                            1                    1
                                                          
                  TM
                         1
                                     
                                                1
                                                      i k   i k  u   u
                                                              .
                                               
•   Simplifying, the 2D elliptic Helmholtz equation takes the form:


•   Introducing the following notation:




•   Then use the Standard RBF approximation of a function to write the Helmholtz
    equation as a generalized eigenvalue problem:
                                                                                   25
Cloud application
• Verification by checking a high-resolution run against
  existing software
   – Developer workstation free to run other tasks
   – Institutional cluster queue time avoided
• Parameter sweeps through high dimensional spaces
   – Wall-time bounded below by (provisioning time +
     longest simulation time)
• Application of the new algorithm to novel shapes, bandgap
  engineering and optimisation


                                                              26
Results
• Comparison of band diagrams




                                27
Concluding remarks
• Cloud paradigm demonstrated
   – Accelerated development cycle
   – Parts of a traditionally-serial workflow ran on Windows
     Azure in parallel
   – Enhanced collaboration opportunities
   – Modularity of design
• New meshless algorithm demonstrated
   – Solves Maxwell equations successfully
   – Applicable for bio-inspired photonic materials


                                                           28
Azure+Windows Phone 7
Atmospheric Science

Professor Simon Cox and Dr Steven Johnston with:
ASTRA: Dr András Sóbester, Prof Jim Scanlan, and Neil O’Brien
Microsoft Institute for High Performance Computing @ Southampton

sjc@soton.ac.uk & sjj698@zepler.org
Atmospheric Science
Through Robotic Aircraft
• Monitoring the atmosphere
  – Weather, pollution
  – Volcanic ash…
• Low cost metrological balloons
  – High altitude
• Instrument retrieval using WP7 +
  GPS

• Predicting the landing location
  with Azure
ASTRA architecture
                Meteorological             Windows               Logging and
                weather balloon
                                            Azure                data storage

                                                                         Blob
                                                                       storage
  Windows                                                 Device
  Phone 7                               Windows           registration and
                                        Phone 7           GPS logging
                       GSM              notifications     notifications



                                          Internet




                                    Flight              University of
    Followers                       prediction          Southampton
                                    algorithms
                    Tracker using
                                    and trajectory
                    Bing maps
                                    updates
                    on WP7
ASTRA flights using
WP7 and Windows Azure
• ASTRA 7
  – 18,237 meters (59,832 feet)
  – Top speed 145 km/h
    (90mph)
  – 1hr 16’


• ASTRA 8
  – 21,600 meters (71,000 feet)
  – Top speed 82 km/h (51mph)
  – 2hr 30’
Take Off…..




              33
Windows Phone 7 on the edge of Space




                                       34
Windows Phone trajectory




                           35
Windows Phone at -58 degrees C




                                 36
Thanks


We acknowledge and thank Microsoft and Microsoft Research for support


Prof Simon Cox
sjc@soton.ac.uk
Further information

• Atmospheric Science Through Robotic Aircraft (ASTRA)
  http://www.soton.ac.uk/~astra/ (Main page)
  http://segoz.co.uk/Stratosphericflight.aspx (WP7 application)
  http://www.soton.ac.uk/~astra/diary.html
  http://www.microsoft.com/showcase/en/us/details/da17789f-7914-4131-
  b7cb-91937be3d20a (Video)
Faculty of Engineering
          and the Environment




Summary

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Ignite your...supercomputing 24 jul12_v2

  • 1. Supercomputing & Design Professor Simon Cox Associate Dean, Enterprise Faculty of Engineering and the Environment 24th July 2012 sjc@soton.ac.uk
  • 2. Faculty of Engineering Aeronautics, Astronautics and the Environment and Computational Engineering Prof Keane - Head of AACE Unit Prof Simon Cox Chair, Computational Engineering and Design Group Associate Dean, Enterprise Faculty of Engineering and the Environment
  • 3. Faculty of Engineering and the Environment AACE Overview • Three research groups (aeronautics & flight mechanics, astronautics and computational engineering & design). Head of Unit: Prof Keane • 30 members of academic staff holding £13m of research grants. • Three major research centres (Airbus Noise Technology Centre, R-R UTC for Computational Engineering, Microsoft Institute for HPC). • Nearly 80 PhD and EngD students under supervision (major partner in DTC for Complexity). • Linked to highly successful undergraduate and MSc teaching programmes (100% student satisfaction in 2008 National Student Survey for Aeronautics-Astronautics course; Royal Academy of Engineering/Exxonmobil Excellence in Engineering Teaching Award). 3
  • 4. Faculty of Engineering and the Environment Design Exemplars Computational Engineering and Design Research Group
  • 5. Faculty of Engineering and the Environment Rolls-Royce UTC in Computational Engineering PIs: Keane & Scanlan 5 Academic staff, 9 Research fellows, 11 EngD/PhDs, £1.2m per annum external funding (EU/UK Govt/EPSRC) Close integration with Rolls-Royce R&T objectives 5
  • 6. Typical Design Faculty of Engineering Improvement Flowchart and the Environment Initial Design Background Geometry Effort Rule Parametric Bases Base Geometry Final CAD Uncertainty Optimiser Models Design Meshing Boundary Search Conditions Results Extraction CFD CSM Post Costs 6 PI: Keane Processing
  • 7. Faculty of Engineering Multi-fidelity Optimization and the Environment • 12 geometry variables • 10 full car RANS simulations 15h each • 120 rear wing only RANS simulations 1.5h each 7 PI: Keane
  • 8. Faculty of Engineering and the Environment Multi-scale modelling for nanotechnology • Hans Fangohr • Nanotechnology length scales are close to the atomic lattice spacings. • Need to consider atomistic nature of matter to be accurate • Need to combine atomistic simulations with continuum approaches to make simulations feasible
  • 9. Faculty of Engineering Multi-physics modelling and the Environment for nanotechnology • Relevant properties • magnetic • thermodynamic • conducting • mechanic • Optical • Crucial for Nanodevices to consider these together PI: Fangohr
  • 10. Faculty of Engineering and the Environment Design Optimisation of Nanodevices • Magnetic storage, sensors, spintronics • Prototype fabrication expensive vs “cheap” Simulation • Requires – multi-scale simulations – multi-physics simulations • Computational Design Optimisation highly beneficial PI: Fangohr
  • 11. Multi-objective, multi-disciplinary design (coronary stents) Faculty of Engineering and the Environment Balloon expansion: structural integrity Haemodynamics: re-endothelialisation Optimal design: patient specific Flexibility: conformability Systematic design search and optimisation: Recover and maintain healthy blood flow Drug elution: control of restenosis Stress: minimise artery wall damage PI: Bressloff
  • 12. Future cath-lab Faculty of Engineering and the Environment (1) Cath Lab (2) Stent Design Tool (a virtual cath. lab) (4) Manufacture (3) The Cloud (1) http://www.everydaychampions.org/hospital/cardiac_cath_lab.php (2) Stent design tool (N.W.Bressloff) PI: Bressloff (3) http://rohitsaxenawrites.wordpress.com/author/rohitklar/ (4) http://www.raydiance.com/our-technology
  • 13. Airbus Noise Technology Centre Faculty of Engineering (AFM Group) and the Environment PI: Zhang • First Airbus-University Technology Centre in the World • Opened November 2008 • Focussing on future aircraft technologies for noise reduction • Fifteen academic staff and research students • Computation and experiment
  • 14. Sample ANTC projects Faculty of Engineering (AFM Group) and the Environment LES of noise generated by interaction of aircraft engine with wing (Zhang/Hu) Aircraft high-lift device noise generation and control (Zhang/Hu) High-speed train aeroacoustics (Hu & Thompson (ISVR) ) PI: Zhang
  • 15. Faculty of Engineering and the Environment Under the Hood … tools, technologies and platforms
  • 16. Microsoft Institute for HPC Faculty of Engineering and the Environment • PI: Cox • Workflow + HPC + Data • Centre for Fluid Mechanics Simulation (CFMS) • Flight simulation HPC • μVis – X-Ray CT Centre workflow and data management • Cloud & Mobile computing – space situational awareness • Institutional and Large Scale Data Management – Materials – Chemistry – Medicine – Archaeology 16 – Engineering HPC Data
  • 17. Faculty of Engineering and the Environment Engineering Design - from the Desktop to the Enterprise • Engineering design demands integration of complex systems to set-up, execute, monitor, post-process, review, and store computational processes, data and knowledge • Research to tackle new challenges • Applied and customised commodity off- the-shelf Microsoft tools, technologies and platforms Microsoft Institute for HPC @ • Collaboration with Rolls-Royce, Airbus, Southampton BAE Systems, MBDA, Microsoft, others: “We demonstrate why, where, and how current and 20 Million Euro UK TSB (DTI) future Microsoft tools and technologies can make the programme engineering design process faster, cheaper and better.” Launched by Bill Gates, Nov 2005 Initial Research 1998 17
  • 18. TAGtivity Wiki BAE Systems Rolls-Royce Airbus Software + Services Robust, reliable and Organizing thoughts Semantic structure, Orchestration of gas for connecting scalable data and reference search and turbine design engineers and experts intensive material... experience reasoning calculations to users and data collaboration Concept Computation Data Individual review MBDA Data Driven Product Small group review Lifecycle Management Corporate review Data sources Wiki database Task database Workflow templates Tagtivity database Workflow database Conversation database Sharepoint database Workflow tracking Filesystem Knowledge database Workflow tracking Active Directory Filesystem Corporate database Simulation database Technology Windows Server 2008 Windows Workflow Sharepoint Server Microsoft Office 2007 MediaWiki Hyper-V RC0 Foundation Active Directory Windows HPC Server 2008 HP-UX (Interop) SQL Server 2005/ 2008 SQL Server 2008 Windows CCS 2003 Beta2 Windows Windows Presentation D2R Server SQL Server 2008 CTP6 Linux (Interop) Foundation; Matlab ARQ/SPARQL Visual Studio 2005 Communication Office Communication SQL Server 2005 Foundation Server
  • 19. Exploiting cloud computing for algorithm development N. O’Brien, E. Hart, S. Johnston, K. Djidjeli, S. J. Cox sjc@soton.ac .uk and Neil.OBrien@soton.ac.uk
  • 20. Case study: photonic crystals • Nanostructures that affect propagation of light Morpho butterfly Wing cross-section Man-made example Opal Peacock’s magnificent Man-made example 20 tail
  • 21. Strengths of cloud computing • Algorithm development – Time-, data-, compute-intensive • Data dissemination – Sharing large input or output data sets • Burst capability – Testing/parameter sweeping new revisions • Super-scalability – Apply algorithm to big problems 21
  • 22. Case study: photonic crystal modelling • Photonic crystals are periodic dielectric structures, we assume periodicity in 𝑥 and 𝑦 directions and infinite extent in 𝑧 22
  • 23. Maxwell’s Equations • Maxwell’s equations give the allowed modes of propagation for TM, TE modes, after applying standard simplifications 1 − ∆𝜓 = 𝜆𝜓 𝜀 1 −𝛻 ⋅ 𝛻𝜓 = 𝜆𝜓 𝜀 • When the dielectric 𝜀 varies, no analytical solution exists 23
  • 24. Algorithms for Photonic Crystal Modelling • Plane Wave Methods Gibbs Phenomenon – Scale poorly + Gibbs Phenomenon • Finite Difference Method – Simple to code FD Stencil – Requires fine mesh for accuracy » Large and Sparse Matrices • Finite Element Method – Large amounts of code FE Mesh – Requires fine (complicated) mesh for accuracy » Large and Sparse Matrices • Meshless Method – Simple to code & data parallel Radial Basis Function – Improved geometry handling » Small and Dense Matrices 24
  • 25. Meshless Method Formulation • Maxwell’s equations for 2D problem TE  .        i k .   i k  u   u 1 1   TM 1       1   i k   i k  u   u .   • Simplifying, the 2D elliptic Helmholtz equation takes the form: • Introducing the following notation: • Then use the Standard RBF approximation of a function to write the Helmholtz equation as a generalized eigenvalue problem: 25
  • 26. Cloud application • Verification by checking a high-resolution run against existing software – Developer workstation free to run other tasks – Institutional cluster queue time avoided • Parameter sweeps through high dimensional spaces – Wall-time bounded below by (provisioning time + longest simulation time) • Application of the new algorithm to novel shapes, bandgap engineering and optimisation 26
  • 27. Results • Comparison of band diagrams 27
  • 28. Concluding remarks • Cloud paradigm demonstrated – Accelerated development cycle – Parts of a traditionally-serial workflow ran on Windows Azure in parallel – Enhanced collaboration opportunities – Modularity of design • New meshless algorithm demonstrated – Solves Maxwell equations successfully – Applicable for bio-inspired photonic materials 28
  • 29. Azure+Windows Phone 7 Atmospheric Science Professor Simon Cox and Dr Steven Johnston with: ASTRA: Dr András Sóbester, Prof Jim Scanlan, and Neil O’Brien Microsoft Institute for High Performance Computing @ Southampton sjc@soton.ac.uk & sjj698@zepler.org
  • 30. Atmospheric Science Through Robotic Aircraft • Monitoring the atmosphere – Weather, pollution – Volcanic ash… • Low cost metrological balloons – High altitude • Instrument retrieval using WP7 + GPS • Predicting the landing location with Azure
  • 31. ASTRA architecture Meteorological Windows Logging and weather balloon Azure data storage Blob storage Windows Device Phone 7 Windows registration and Phone 7 GPS logging GSM notifications notifications Internet Flight University of Followers prediction Southampton algorithms Tracker using and trajectory Bing maps updates on WP7
  • 32. ASTRA flights using WP7 and Windows Azure • ASTRA 7 – 18,237 meters (59,832 feet) – Top speed 145 km/h (90mph) – 1hr 16’ • ASTRA 8 – 21,600 meters (71,000 feet) – Top speed 82 km/h (51mph) – 2hr 30’
  • 34. Windows Phone 7 on the edge of Space 34
  • 36. Windows Phone at -58 degrees C 36
  • 37. Thanks We acknowledge and thank Microsoft and Microsoft Research for support Prof Simon Cox sjc@soton.ac.uk
  • 38. Further information • Atmospheric Science Through Robotic Aircraft (ASTRA) http://www.soton.ac.uk/~astra/ (Main page) http://segoz.co.uk/Stratosphericflight.aspx (WP7 application) http://www.soton.ac.uk/~astra/diary.html http://www.microsoft.com/showcase/en/us/details/da17789f-7914-4131- b7cb-91937be3d20a (Video)
  • 39. Faculty of Engineering and the Environment Summary