1. High Performance Computing & Society Ian Bird, CERN | 28-29th September 2013

2. High Performance Computing What is it? Why does CERN need it? What use is it in the real world? ? September 12, 2013 Ian.Bird@cern.ch2

3. High Performance Computing What is it? ? Why does CERN need it? What use is it in the real world?

4. September 2013 Ian.Bird@cern.ch4 What is High Performance Computing? HUGE VOLUMES OF DATA SPEED FAST NETWORK SCALE LARGE SCALE PROCESS COMPLEX SOPHISTICATED SOFTWARE COMPLEX PROBLEMS THAT REQUIRE

5. September 2013 Ian.Bird@cern.ch5 What is High Performance Computing? BIG DATA Data volumes that present a challenge – different for different sciences SUPERCOMPUTERS Very large, fast, (expensive!), world-class machines: hundreds of thousands of interconnected processors GRIDS Supercomputers built using commodity components, distributed globally CLOUD COMPUTING Large, centralised data centres, providing computing and services over the network VOLUNTEER COMPUTING Huge scale using voluntarily contributed PCs

6. High Performance Computing What is it? Why does CERN need it? What use is it in the real world? ? September 12, 2013 Ian.Bird@cern.ch6

7. September 2013 Ian.Bird@cern.ch7 1976 IBM 370/168 1972 CDC 7600 1958 First computer Ferranti Mercury Already lots of data 1965 1979 2012 CERN CC 1988 Cray X/MP 1998 CC

8. Computing in High-Energy Physics  Demanding scienceDemanding computing Large scale computing & storage Innovation The Web Grid computing (LHC Computing Grid) September 12, 2013 Ian.Bird@cern.ch8

9. CERN Computer Centre CERN COMPUTER CENTRE Built in the 70s on the CERN site (Meyrin-Geneva) ~3000 m2 (3 main machine rooms) 3.5 MW for equipment Est. PUE ~ 1.6 NEW EXTENSION Located at Wigner (Budapest) ~1000 m2 2.7 MW for equipment Connected to the Geneva CC with 2x100Gb links (21 and 24 ms RTT) September 2013 Ian.Bird@cern.ch9

10. High Performance Computing What is it? Why does CERN need it? What use is it in the real world? ? September 12, 2013 Ian.Bird@cern.ch10

11. LHCb Atlas Ian.Bird@cern.ch11 Tools: LHC and Detectors Exploration of a new energy frontier in P-P and Pb-Pb collisions LHC ring: 27 km circumference CMS Alice

12. 12 200-400 MB/sec Data flow to permanent storage: 4-6 GB/sec ~ 4 GB/sec 1-2 GB/sec

13. LHC Data LHC experiments generate 25 PB of data per year between them CERN scientific data archive is today 100 PB Requires huge amounts of processing power, storage, and network bandwidth September 2013 Ian.Bird@cern.ch13

14. Just how much is that? LHC would need 30 million iPads to process all its data Stores 640 of these LHC would need 2 million iPads to store all the data LHC Data: 100 Petabytes (100 million Gigabytes)  21 million DVDs  125 million CDs  10 billion MP3 songs September 12, 2013 Ian.Bird@cern.ch14

15. The Worldwide LHC Computing Grid Tier-1 permanent storage, re-processing, analysis Tier-0 (CERN) data recording, reconstruction and distribution Tier-2 Simulation, end-user analysis > 2 million jobs/day ~350’000 cores 200 PB of storage nearly 160 sites, 35 countries 10 Gb links WLCG An International collaboration to distribute and analyse LHC data Integrates computer centres worldwide that provide computing and storage resource into a single infrastructure accessible by all LHC physicists September 12, 2013 Ian.Bird@cern.ch15

16. September 12, 2013 Ian.Bird@cern.ch16

17. Application of High Performance Computing High Performance computing is used across very many areas of science, engineering, medicine, … Addressing problems that can only be tackled by large scale simulations and computations, or manipulation of massive data sets September 12, 2013 Ian.Bird@cern.ch17

18. Such as…. Materials and engineering New materials Simulation in place of physical models September 12, 2013 Ian.Bird@cern.ch18 Science and … Energy and Modelling of wind and wave energy Health and Gene sequencing Drug discovery Disease diagnostics Modelling the brain and organs Environment and Weather and climate modelling and prediction Earth observation

19. September 12, 2013 Ian.Bird@cern.ch19

20. Genomics Human Genome project 1989 – 2000: sequencing the Human Genome 1 individual Today Same data volume generated in 3 minutes in a current large scale centre Now practical to sequence entire populations of humans, other animals Only possible with High Performance computing and storage September 2013 Ian.Bird@cern.ch20

21. 3 big areas of impact for medicine Germ line Risk to disease “Precision” cancer medicine Pathogens + Hospital acquired infections September 2013 Ian.Bird@cern.ch21

22. Germ Line impact Everyone has differential risk of disease But the shift in risk is small Perhaps 1 to 2% have a striking change in risk to a serious disease (>10 fold) which is “actionable” This goes up to 3-4% if you count some less clinically worrying diseases 1:500 people have HCM 1:500 people have FH September 2013 Ian.Bird@cern.ch22

23. Precision cancer diagnosis Cancer is a genomic disease By sequencing a cancer you can understand its molecular form better Particular molecular forms respond to particular drugs September 2013 Ian.Bird@cern.ch23

24. Pathogens Sequencing provides a clear cut diagnosis of pathogens Can also be used to sequence environments (eg, hospitals) Immune systems for hospitals

25. Designing better antibiotics This example: the antibiotic does not distinguish between the fungal and human cell membranes Molecular dynamics models (describe behaviour of atoms, molecules, and interactions) used to determine better varieties of drugs that interact with disease rather than human cells Such calculations require large scale computing – in this case using a grid Lung cells attacked by a fungal cryptococcosis infection (Image: CDC / wikicommons) 3-D model of the Amphotericin B molecule (Image: wikicommons) September 2013 Ian.Bird@cern.ch25

26. September 2013 Ian.Bird@cern.ch26

27. September 2013 Ian.Bird@cern.ch27 New materials The Simulation of nanostructured materials requires high performance computers and modern calculation methods, for example density functional theory and molecular dynamics. Complementing experiment and theory, simulations help to understand observed phenomena and even predict properties and scenarios in complex systems. Especially challenging is the quest for new materials and phenomena for which an experimental exploration without the knowledge from simulations would be prohibitive.

28. Pollution? Today’s plastics are a serious problem and hazard Polyactide plastics are an alternative, but expensive to produce – do not use oil, but cheap raw materials Such PLA plastics production needs a catalyst for the reaction, and this must be cheap and non-toxic Molecular simulation on a computing grid has been used to calculate the entire reaction mechanism September 2013 Ian.Bird@cern.ch28

29. September 2013 Ian.Bird@cern.ch29

30. Meteorological input data September 2013 Ian.Bird@cern.ch30

31. September 2013 Ian.Bird@cern.ch31 Weather Satellites METEOSAT NOAA POES FENGYUN 3 FENGYUN 1D MODIS TERRA MODIS AQUA JPSS1 SUOMI NPP Higher resolution Color Visible channel by night METOP (EPS)

32. September 2013 Ian.Bird@cern.ch32 Numerical weather prediction Observations Weather forecasts Product Generation now+1 hour +2 hours +3 hours+4 hours Products …

33. September 2013 Ian.Bird@cern.ch33 Climate and weather forecasts Future Past Decade forecasts Seasonal forecasts Monthly forecasts 100 years 10 years 1 year 1 month today Climate monitoring Medium range forecasts (72-360 hours) Short range forecasts (12-72 hours) Shortest range forecasts (2-12 hours) Nowcasting ( < 2 hours) Climate projections

34. DWD NWP model suite September 2013 Ian.Bird@cern.ch34 Model output size per day ~2.5 TBytes ICON: Grid spacing: 20 km 1482250 * 60 grid points Forecast range: 174 hours Runs per day: 2 COSMO-EU: Grid spacing: 7 km 665 * 657 * 40 grid points Forecast range: 78 hours Runs per day: 4 COSMO-DE: Grid spacing: 2.8 km 421 * 461 * 50 grid points Forecast range: 21 hours Runs per day: 8 ICON  x = 20 km COSMO-EU  x = 7 km COSMO-DE  x = 2.8 km

35. 500.000 short range forecasts 240.000 aviation briefings annually 20.000 warnings annually 8.000 expertises p.a. Data + model products Public weather service: basic warnings and forecasts, climate information Deliver the right data to the right people Efficient storage and access in time New analysis tasks: earlier storm tracking better climate analysis optimization problems in aviation and energy Privacy and security issues September 2013 Ian.Bird@cern.ch35 What are the challenges?

36. 500.000 short range forecasts 240.000 aviation briefings annually 20.000 warnings annually 8.000 expertises p.a. Data + model products Public weather service basic warnings and forecasts, climate information September 2013 Ian.Bird@cern.ch36

37. Environmental Modeling Bulgarian researchers have ported three applications to the grid. 1. Study the impact of climate change on air quality 2. Model atmospheric composition 3. Investigate emergency responses to the release of harmful substances into the atmosphere September 2013 Ian.Bird@cern.ch37

38. Environmental Modeling Bulgarian researchers have ported three applications to the grid. 1. Study the impact of climate change on air quality 2. Model atmospheric composition 3. Investigate emergency responses to the release of harmful substances into the atmosphere September 2013 Ian.Bird@cern.ch38

39. Use Case: ASTRA Ancient instruments Sound/Timbre Reconstruction Application Has recreated 4 instruments so far Held concerts using these instruments September 2013 Ian.Bird@cern.ch39

40. Some advantages of using the grid: can meet high demand for network and computing requirements; high reliability; allow multi-disciplinary collaboration between researchers, musicians and historians; longevity: ASTRA running since 2006. September 2013 Ian.Bird@cern.ch40 Use Case: ASTRA

41. Use Case: ITER Investigating viability of fusion as a power source Modelling and simulating the reactor Used 1 million CPU hours in the last 12 months September 2013 Ian.Bird@cern.ch41

42. Use Case: DECIDE Diagnostic Enhancement of Confidence by an International Distributed Environment Diagnostic tools for the medical community Example: Their Statistical Parametric Mapping application can help doctors to diagnose Alzheimer’s disease in its early stages and track the progress of the symptoms over time September 2013 Ian.Bird@cern.ch 42

43. Use Case: DECIDE Some advantages of using the grid: a single European-wide master database of images stored on the grid for doctors to use; can set up diagnostic tools with a dedicated grid infrastructure; customisable: dedicated software to track progression of the disease over time; sharing medical data securely. September 2013 Ian.Bird@cern.ch43

44. Summary High Performance Computing – in all of its forms – is a vital tool in many areas of our everyday lives CERN, and other sciences, by pushing the boundaries of what is possible in computing helps to drive this forward September 2013 Ian.Bird@cern.ch44