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High Performance Computing:
The Future is Here
Martin Hamilton
(invited presentation to DARC)
Topics
1. HPC as Catalyst
2. Case Study: HPC
Midlands
3. Eight Great Technologies

4. Grand Challenges
Topics
1. HPC as Catalyst
2. Case Study: HPC
Midlands
3. Eight Great Technologies

4. Grand Challenges
1. HPC as Catalyst Virtual prototyping:
“Make” and test 1,000
prototypes before
committing any atoms
Pharma: Drug
discovery,
computational chemistry
and clinical trial
simulations
1. HPC as Catalyst Render farms:
Graphics for gaming,
film and television
industries
Environmental
modelling:
Flooding, climate
change and weather
systems
1. HPC as Catalyst Safety and risk
modeling: Industrial
processes, e.g. gas and
radiation dispersal
Machine learning:
Recommendation engines
real time translation and
virtual assistants
1. HPC as Catalyst Genomics and
bioinformatics:
— Which interventions
will yield the best
outcomes?
— What am I genetically
predisposed to?
— 100,000 Genomes
— 23andme
Topics
1. HPC as Catalyst
2. Case Study: HPC
Midlands
3. Eight Great Technologies

4. Grand Challenges
2. Case Study

HPC Midlands
— Supercomputing for
research and industry
— Software from leading
ISVs
— Flexible usage model for
use by research and
industry
— Expertise from
Loughborough University &
University of Leicester
2. Case Study

HPC Midlands
— Supercomputing for
research and industry
— Software from leading
ISVs
— Flexible usage model for
use by research and
industry
— Expertise from
Loughborough University &
University of Leicester
2. Case Study

HPC Midlands
— 3,008 core Linux based
supercomputer
— 15TB RAM, 120TB Lustre
storage
— Non-blocking QDR
Infiniband interconnect
— 188 compute nodes
— 2 x 2.0GHz 8 core Sandy
Bridge CPUs per node
— 140 nodes with 64GB RAM
— 48 nodes with 128GB RAM
2. Case Study

HPC Midlands
— Popular scientific and
engineering packages
— Commercial and open
source
— Examples:
— ANSYS CFX, FLUENT
— CD-adapco Star-CCM+
— MSC Marc, NASTRAN etc
— OpenFOAM
— Intel MKL, compiler suite
— PETSc, Quantum Espresso
2. Case Study: HPC Midlands
2. Case Study: HPC Midlands
2. Case Study: HPC Midlands
2. Case Study: HPC Midlands
Topics
1. HPC as Catalyst
2. Case Study: HPC
Midlands
3. Eight Great Technologies

4. Grand Challenges
OGL 2.0 from www.gov.uk/bis/industrial-strategy
OGL 2.0 from www.gov.uk/bis/industrial-strategy
OGL 2.0 from www.gov.uk/bis/industrial-strategy
OGL 2.0 from www.gov.uk/bis/industrial-strategy
OGL 2.0 from www.gov.uk/bis/industrial-strategy
OGL 2.0 from www.gov.uk/bis/industrial-strategy
OGL 2.0 from www.gov.uk/bis/industrial-strategy
OGL 2.0 from www.gov.uk/bis/industrial-strategy
3. Eight Great
Technologies

Role of e-Infrastructure:
- Academic context:
HPC, SKA, LHC, DLS,
NGS and other TLAs
- Industrial context:
TSB, Catapults, “on
ramps” for SMEs
- Not just kit:
- Open Access Pubs
- Open Data + Software
- People!
3. Eight Great
Technologies

Role of e-Infrastructure:
- Academic context:
HPC, SKA, LHC, DLS,
NGS and other TLAs
- Industrial context:
TSB, Catapults, “on
ramps” for SMEs
- Not just kit:
- Open Access Pubs
- Open Data + Software
- People!
Topics
1. HPC as Catalyst
2. Case Study: HPC
Midlands
3. Eight Great Technologies

4. Grand Challenges
4. Grand Challenges

Challenging
preconceptions:
—“Supercomputing is just
for rocket scientists”
—“Academic services are
inherently insecure”
—“Legal would never sign
off on anything like this”
—“It’s just too hard to
satisfy assurance
requirements”
4. Grand Challenges Challenging
preconceptions:
—Common off-the-shelf
packages have HPC solver
capability, e.g. FLUENT,
NASTRAN, MATLAB
—ISO 27002, CESG InfoSec,
physical security (e.g. LPS
1175), CIS audit tool
—FTSE100 firms’ have
similar requirements to
research and education
organizations
Photo credit: CC-BY-NC Flickr user justin_case
4. Grand Challenges: Awareness
4. Grand Challenges: Awareness
4. Grand Challenges Training and Skills:
—The Missing Million:
—100,000 unfilled tech
vacancies
—1m young unemployed
(NEETs)

—CPD into CFD 
—(Parallel) Coding
—UG/PG level training in bite
sized chunks
—FutureLearn?

—Generation Pi
4. Grand Challenges: Parallel Coding
4. Grand Challenges: Next Gen Computing

From Mont Blanc project - www.montblanc-project.eu
From Mont Blanc project - www.montblanc-project.eu
4. Grand Challenges: The Missing Million
4. Grand Challenges: The Missing Million
Wearables

4. Grand Challenges: Generation Pi

Photo credits: Technocamps, DesignSpark
Wearables

4. Grand Challenges: Generation Pi
Wearables

4. Grand Challenges: Generation Pi
Wearables

4. Grand Challenges: Generation Pi

From codeclub.org.uk
Wearables

4. Grand Challenges: Generation Pi

From codeclub.org.uk
Martin Hamilton
m.t.hamilton@lboro.ac.uk
@martin_hamilton

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High Performance Computing - The Future is Here

  • 1. High Performance Computing: The Future is Here Martin Hamilton (invited presentation to DARC)
  • 2.
  • 3.
  • 4. Topics 1. HPC as Catalyst 2. Case Study: HPC Midlands 3. Eight Great Technologies 4. Grand Challenges
  • 5. Topics 1. HPC as Catalyst 2. Case Study: HPC Midlands 3. Eight Great Technologies 4. Grand Challenges
  • 6. 1. HPC as Catalyst Virtual prototyping: “Make” and test 1,000 prototypes before committing any atoms Pharma: Drug discovery, computational chemistry and clinical trial simulations
  • 7. 1. HPC as Catalyst Render farms: Graphics for gaming, film and television industries Environmental modelling: Flooding, climate change and weather systems
  • 8. 1. HPC as Catalyst Safety and risk modeling: Industrial processes, e.g. gas and radiation dispersal Machine learning: Recommendation engines real time translation and virtual assistants
  • 9. 1. HPC as Catalyst Genomics and bioinformatics: — Which interventions will yield the best outcomes? — What am I genetically predisposed to? — 100,000 Genomes — 23andme
  • 10. Topics 1. HPC as Catalyst 2. Case Study: HPC Midlands 3. Eight Great Technologies 4. Grand Challenges
  • 11. 2. Case Study HPC Midlands — Supercomputing for research and industry — Software from leading ISVs — Flexible usage model for use by research and industry — Expertise from Loughborough University & University of Leicester
  • 12. 2. Case Study HPC Midlands — Supercomputing for research and industry — Software from leading ISVs — Flexible usage model for use by research and industry — Expertise from Loughborough University & University of Leicester
  • 13. 2. Case Study HPC Midlands — 3,008 core Linux based supercomputer — 15TB RAM, 120TB Lustre storage — Non-blocking QDR Infiniband interconnect — 188 compute nodes — 2 x 2.0GHz 8 core Sandy Bridge CPUs per node — 140 nodes with 64GB RAM — 48 nodes with 128GB RAM
  • 14. 2. Case Study HPC Midlands — Popular scientific and engineering packages — Commercial and open source — Examples: — ANSYS CFX, FLUENT — CD-adapco Star-CCM+ — MSC Marc, NASTRAN etc — OpenFOAM — Intel MKL, compiler suite — PETSc, Quantum Espresso
  • 15. 2. Case Study: HPC Midlands
  • 16. 2. Case Study: HPC Midlands
  • 17. 2. Case Study: HPC Midlands
  • 18. 2. Case Study: HPC Midlands
  • 19.
  • 20. Topics 1. HPC as Catalyst 2. Case Study: HPC Midlands 3. Eight Great Technologies 4. Grand Challenges
  • 21. OGL 2.0 from www.gov.uk/bis/industrial-strategy
  • 22. OGL 2.0 from www.gov.uk/bis/industrial-strategy
  • 23. OGL 2.0 from www.gov.uk/bis/industrial-strategy
  • 24. OGL 2.0 from www.gov.uk/bis/industrial-strategy
  • 25. OGL 2.0 from www.gov.uk/bis/industrial-strategy
  • 26. OGL 2.0 from www.gov.uk/bis/industrial-strategy
  • 27. OGL 2.0 from www.gov.uk/bis/industrial-strategy
  • 28. OGL 2.0 from www.gov.uk/bis/industrial-strategy
  • 29. 3. Eight Great Technologies Role of e-Infrastructure: - Academic context: HPC, SKA, LHC, DLS, NGS and other TLAs - Industrial context: TSB, Catapults, “on ramps” for SMEs - Not just kit: - Open Access Pubs - Open Data + Software - People!
  • 30. 3. Eight Great Technologies Role of e-Infrastructure: - Academic context: HPC, SKA, LHC, DLS, NGS and other TLAs - Industrial context: TSB, Catapults, “on ramps” for SMEs - Not just kit: - Open Access Pubs - Open Data + Software - People!
  • 31.
  • 32. Topics 1. HPC as Catalyst 2. Case Study: HPC Midlands 3. Eight Great Technologies 4. Grand Challenges
  • 33. 4. Grand Challenges Challenging preconceptions: —“Supercomputing is just for rocket scientists” —“Academic services are inherently insecure” —“Legal would never sign off on anything like this” —“It’s just too hard to satisfy assurance requirements”
  • 34. 4. Grand Challenges Challenging preconceptions: —Common off-the-shelf packages have HPC solver capability, e.g. FLUENT, NASTRAN, MATLAB —ISO 27002, CESG InfoSec, physical security (e.g. LPS 1175), CIS audit tool —FTSE100 firms’ have similar requirements to research and education organizations Photo credit: CC-BY-NC Flickr user justin_case
  • 35. 4. Grand Challenges: Awareness
  • 36. 4. Grand Challenges: Awareness
  • 37. 4. Grand Challenges Training and Skills: —The Missing Million: —100,000 unfilled tech vacancies —1m young unemployed (NEETs) —CPD into CFD  —(Parallel) Coding —UG/PG level training in bite sized chunks —FutureLearn? —Generation Pi
  • 38. 4. Grand Challenges: Parallel Coding
  • 39. 4. Grand Challenges: Next Gen Computing From Mont Blanc project - www.montblanc-project.eu
  • 40. From Mont Blanc project - www.montblanc-project.eu
  • 41. 4. Grand Challenges: The Missing Million
  • 42. 4. Grand Challenges: The Missing Million
  • 43. Wearables 4. Grand Challenges: Generation Pi Photo credits: Technocamps, DesignSpark
  • 46. Wearables 4. Grand Challenges: Generation Pi From codeclub.org.uk
  • 47. Wearables 4. Grand Challenges: Generation Pi From codeclub.org.uk