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Grid Computing and the Role of NeSC Prof Richard Sinnott

Grid Computing and the Role of NeSC Prof Richard Sinnott Technical Director National e-Science Centre r.sinnott@nesc.gla.ac.uk 26 th October 2006. Purpose of Today. To provide Stirling folk with Broad overview of Grids Flavour of different kinds of e-Research possible

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Grid Computing and the Role of NeSC Prof Richard Sinnott

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  1. Grid Computing and the Role of NeSC Prof Richard Sinnott Technical Director National e-Science Centre r.sinnott@nesc.gla.ac.uk 26th October 2006

  2. Purpose of Today • To provide Stirling folk with • Broad overview of Grids • Flavour of different kinds of e-Research possible • Explain the role of NeSC • What we have done, what we are doing, and plans for the future • What resources we have at our disposal • Why? • NeSC-III continuation grant • Grids are successful when widely adopted • User communities essential need to be more altruistic • Avoid the “me-science” culture • I’m not that nice a guy, I see this as the possibility to tap into whole new areas of collaboration with Stirling University • Aquaculture, environmental sciences, …

  3. e-Science and the Grid ‘e - Science is about global collaboration in key areas of science, and the next generation of infrastructure that will enable it.’ ‘e - Science will change the dynamic of the way science is undertaken.’ John Taylor Director General of Research Councils Office of Science and Technology • Grid is infrastructure used for e-Science • Metaphor of Power Grid: compute and data resources • on demand

  4. Foundation for e-Science • e-Science methodologies transforming science, engineering, medicine and business • driven by exponential growth in data, compute demands • enabling a whole-system approach computers software Grid sensor nets instruments Shared data archives colleagues

  5. Online System Tier2 Centre ~1 TIPS Caltech ~1 TIPS Tier2 Centre ~1 TIPS Tier2 Centre ~1 TIPS Tier2 Centre ~1 TIPS HPSS HPSS HPSS HPSS HPSS 1 TIPS is approximately 25,000 SpecInt95 equivalents Physicists work on analysis “channels”. Each institute will have ~10 physicists working on one or more channels; data for these channels should be cached by the institute server Pentium II 300 MHz Pentium II 300 MHz Pentium II 300 MHz Pentium II 300 MHz Data Grids for High Energy Physics ~PBytes/sec ~100 MBytes/sec Offline Processor Farm ~20 TIPS There is a “bunch crossing” every 25 nsecs. There are 100 “triggers” per second Each triggered event is ~1 MByte in size ~100 MBytes/sec Tier 0 CERN Computer Centre ~622 Mbits/sec Tier 1 France Regional Centre Germany Regional Centre Italy Regional Centre FermiLab ~4 TIPS ~622 Mbits/sec Tier 2 ~622 Mbits/sec Institute ~0.25TIPS Institute Institute Institute Physics data cache ~1 MBytes/sec Tier 4 Physicist workstations

  6. The e-Health Future… Tissues Cell Organs Protein functions Protein Structures Organisms Physiology Gene expressions Populations Nucleotide structures Cell signalling Nucleotide sequences Protein-protein interaction (pathways)

  7. Next Generation Transistor Design 3D + Statistical

  8. EPSRC Breakdown + Industrial Contributions £25M UK e-Science Budget (2001-2006) + £100M via JISC Total: £213M Staff costs - Grid Resources Computers & Network funded separately Source: Science Budget 2003/4 – 2005/6, DTI(OST) Slide from Steve Newhouse

  9. NeSC Scottish Grid Service • Previous work on UK e-Science Grid based on GT2 • Demonstratedbroad set of applications across it • Monte Carlo simulations of ionic diffusion through radiation damaged crystal structures • Integrated Earth system modelling • BLAST on the Grid • Grid Integration Test Script Suite • … Digital Curation Centre e-Science Institute e-Science in the UK NationalCentre fore-SocialScience Core NGS Nodes + HPCx + CSAR Grid Operations Support Centre NERCe-ScienceCentre National Institute for Environmentale-Science CeSC (Cambridge) OMII-UK OMII-UK OMII-UK

  10. NeSC Mission Statement • To stimulate and sustain the development of e-Science in the UK, to contribute significantly to its international development and to ensure that its techniques are rapidly propagated to commerce and industry. • To identify and support e-Science projects within and between institutions in Scotland, and to provide the appropriate technical infrastructure and support in order to ensure rapid uptake of e-Science techniques by Scottish scientists. • To encourage the interaction and bi-directional flow of ideas between computing science research and e-Science applications • To develop advances in scientific data curation and analysis and to be a primary source of top quality systems and repositories that enable management, sharing and best use of research data.

  11. NeSC Continuation Grant • One of the few to be offered continued funding • Runs from August 2006 – end July 2008 • PI is Prof. Peter Clarke • However - limited resources • 0.25 FTE Prof. R. Sinnott - Technical Director • 0.25 FTE Dr D. Berry - Project Manager • 0.5 FTE Susan Andrews - Web & Database Developer • 0.33 FTE Iain Coleman - technical writer/ content editor • 0.5 FTE Chris Bayliss - Software Engineer • 1 FTE event team staff • 0.5 FTE computing staff • 0.25 FTE administrative support staff • Total 3.5FTE (over 2 sites)

  12. NeSC-3 Plans • 1. National leadership and coordination, and International Representation • National and International Activities including OGF and JISC e-Infrastructure • Knowledge base for UK e-Science web site • Plan for 6 key community events per annum • Outreach through other events • AHM Support • e‑Science centre directors’ meetings • Host international delegations. • home for GridNet

  13. NeSC-3 Plans …ctd • 2. Promote research excellence based upon existing and newly developing areas of strength • Scientific Data Exploitation • High-performance networking • Bioinformatics • Clinical Sciences • Electronic Engineering • Security • Emergency Response Computation Dynamics • BioMedical Image Analysis

  14. NeSC-3 Plans …ctd • 3. Inform/contribute to development of national e-Infrastructure and international standards • Technical Development • ETF, STF, ATF and GOSC • Middleware OGSA-DAI/DAIT, eDIKT2 • Security expertise • Standards such as GGF/OGF • Infrastructure • Scottish e-Infrastructure (more soon) • AccessGrid • Working closely with EUCS and GUCS

  15. NeSC-3 Plans …ctd • 4. E-Science outreach and uptake in the Regional community • plan for 3 events per year to foster uptake of e‑Science in the Scottish Region • You are the first!!!! • Next one in Aberdeen 13th December • organise workshops and seminars at various Scottish institutions on a variety of application domains of regional interest • fostering inter-institute projects • SBRN, GS SFHS, GEODE, nanoCMOS, …

  16. NeSC-3 Plans …ctd • 5. Stimulate e-Science Education • Grid Computing module in advanced MSc at Department Computing Science in Glasgow • E-Science MSc in Edinburgh • EGEE Training Team in Edinburgh • Involved in National Grid Service training courses • Various summer schools

  17. David Martin (ScotGrid sys-admin) Glasgow e-Science Hub • E-Science Hub • Externally • Glasgow end of NeSC • Involved in UK wide activities • Involved in numerous projects (more later!) • Public visibility of NeSC • responsible for NeSC web site (www.nesc.ac.uk) • Internally • Focal point for e-Science research/activities at Glasgow • Work closely with foundation departments • Department of Computing Science • Department of Physics & Astronomy • Also working with other groups including • Bioinformatics Research Centre, Biostatistics • Electronics and Electrical Engineering • Clinicians, Hospitals, across Scotland, • Arts & Humanities, University Services … • NeSC GU now part of University Services! J. Jiang Chris Bayliss A. Ajayi Campbell Millar Nano CMOS PC Mohd Noor (PhD) Gordon Stewart

  18. In the beginning at Glasgow… • Consolidation of resources • Story started with building around ScotGrid • Providing shared Grid resource for wide variety of scientists inside/outside Glasgow • HEP, CS, BRC, EEE, … • Target shares established • Non-contributing groups encouraged • ScotGrid [ Disk ~15TB CPU ~ 255 1GHz ] Hardware • 59 IBM X Series 330 dual 1 GHz Pentium III with 2GB memory • 2 IBM X Series 340 dual 1 GHz Pentium III with 2GB memory • 3 IBM X Series 340 dual 1 GHz Pentium III with 2GB memory and 100 + 1000 Mbit/s ethernet • 1TB disk • LTO/Ultrium Tape Library • Cisco ethernet switches And then came… • IBM X Series 370 PIII Xeon with 32 x 512 MB RAM • 5TB FastT500 disk 70 x 73.4 GB IBM FC Hot-Swap HDD • eDIKT 28 IBM blades dual 2.4 GHz Xeon with 1.5GB memory • eDIKT 6 IBM X Series 335 dual 2.4 GHz Xeon with 1.5GB memory • CDF 10 Dell PowerEdge 2650 2.4 GHz Xeon with 1.5GB memory • CDF 7.5TB Raid disk • ~2.81 million CPU hours completed • Compare Sun $1 CPU/hr • ~313,500 jobs completed • Stats on usage available to user groups

  19. Glasgow e-Science Infrastructure …ctd • Now includes… • Computer Services second HPC facility (128 Opteron based) • University SAN (50TB – 25TB mirrored across campus) • ~£850k investment • SMP donations to NeSC Glasgow • Access to campus wide resources • Campus wide Condor provisionally ok’ed… • EEE compute clusters and larger SMP machines • others… • Scottish Bioinformatics Research Network equipment funds (~£80k) • BBSRC REI equipment grant success (~£120k) • Connection to UKLight network (up to 10Gbit/s) • (ask Pete for more details on UK Light) • Use of National Grid Service

  20. ScotGrid Infrastructure Now • £800k of SRIF-3 funding • Glasgow investment builds on SRIF-1/SRIF-2 funding, ScotGrid and eDIKT projects • Clustervision cluster now procured • installation well advanced • consists of 140 dual core, dual CPU Opteron worker nodes • provides more than 1 million SI2K • 100TB raw disk • In process of becoming affiliate of the NGS • 10% made available for NGS

  21. Similar Story in Edinburgh • Created the Advanced Computing Facility • secure site outside Edinburgh • contains 155TB SAN and HPC servers • initial investment £3.8M • Further £2M SRIF-3 investment on-going for new compute cluster • These investments and Glasgow’s laying foundations for Scottish Grid Service

  22. Scottish Grid Service • Case is currently being formulated • Initial proposal outline agreed by SE as “strategically important for Scotland” • Aberdeen, Dundee, Edinburgh, Glasgow (lead), Heriot-Watt, Strathclyde, Stirling (Ken), St Andrews, … • Abertay, Highlands & Islands, … • Be inclusive!!!!!!!!!!!!!!! • Offer more than Grid computing resources • Move towards service based infrastructure • Key application areas • High energy physics, life sciences and bioinformatics, electronics, computing science, … • Arts & humanities, social sciences, other things of relevance/importance for Scotland … • Can’t support everyone, so will likely need to cherry-pick

  23. Finally • Lots of opportunities in this space • In the last 2 years I have personally been involved in 48 funding proposals … (more in a bit!!!) • (18 funded, 6 being reviewed, 8 in progress, don’t mention the rest!) • We are happy to provide training • Offer lectures/seminars on Grids/e-Science here at Stirling? • Follow up workshop here? • Organise events through e-Science Institute • Themes, workshops, … • What are Stirling interested in? • Best place to learn more is NeSC web site • Primary source of information on UK e-Science • What projects, what is happening in what areas, …

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