NeSI HPC Roadshow 2012

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Transcript of NeSI HPC Roadshow 2012

  • 1. 10:00amCoffee10:30amMorning SessionNeSI PresentationAn overview of high performance computing (HPC) and NeSI provided by NeSIs Director Nick Jones.DemonstrationsNeSI staff will be demonstrating some of the features of the HPC facilities, explaining how it they can fit into aresearch project.12:30pmLunch1:30pm Afternoon SessionLocal Case StudyAn overview of a local researchers use of HPC facilities and aspirations for the national facilities provided by NeSI.Group discussions facilitated by the NeSI teamA chance for researchers to connect and discuss how NeSI can benefit their projects.Staff from REANNZ and Tuakiri, the New Zealand Access Federation, will also be on hand to discuss the Science DMZand Tuakiri respectively.

2. Image: Natural Palette by Seth Darling and Muruganathan Ramanathan, Argonnes Center for Nanoscale MaterialsCreative Commons Atribution Share-Alike - http://creativecommons.org/licenses/by-sa/2.0/Computing Facilities for NZ Researchers National HPC Roadshow 2012 Nick Jones, DirectorA partnership between NZs research institutions delivering advanced computational services for leading edge discovery 3. NeSI, a national research infrastructure High Performance Computing (HPC) & eScience services for all NZ researchersNeSI HPC FacilitiesNeSIs RoadmapProgress Report 4. Genomics, Genetics, Bioinform Wind Energy, Geothermal &atics, Molecular Modelling: Minerals Exploration:NZ Genomics Ltd GNS ExplorationMaurice Wilkins Centre Institute for Earth Science andAlan Wilson Centre EngineeringVirtual Institute of Statistical Centre for Atmospheric ResearchGenetics Earthquakes, Tsunami, VolcanoNanotechnology and Highes:Technology Materials: Natural Hazards ResearchMacDiarmid Institute PlatformMaterials TRST DEVORA Auckland Volcanic Field GeoNet Human Development, Bioengineering, Social Statistics: National Research Centre for Growth andInvasive Species, Water / Land DevelopmentUse, Emissions: Auckland Bioengineering Institute Agricultural Greenhouse Gas Centre Liggins Institute Bio-Protection Research Centre Malaghan Institute National Climate Change Centre Social Sciences Data Service 5. Research e-Infrastructure Roadmap - 2010Genomics NZ Genomics LtdDataeScience BeSTGRID ServicesBeSTGRID ClusterHPC BlueFern BlueGene/LNIWA CrayNeSI @ NIWA: HPC P575 Identity BeSTGRID Federation NetworkREANNZ KAREN Advanced Research Network2006 2008201020122014 6. How did NeSI arise?October 2010 an Investment Case entitled: National eScience Infrastructure (NeSI) High Performance Computational Platforms and Services for NZs Research Communities Submitted to the Minister of Research, Science & Technology Prepared by a Working Group of representatives from: UoA, UC, UoO, Landcare, AgResearch & NIWA(under an indept. Chair)Investment Case asserted that: HPC and related eScience infrastructure are indispensable components of modern science, and are having a major impact on almost every branch of research; By taking a sector approach, more efficient coordination and cooperation would be achieved, leading to strategically targeted investment in HPC; Thereby providing international-scale HPC to a wide range of communities and disciplines.Formulated following a Needs Analysis during 2010 6 7. What we said about our HPC needsIn 2010, NZ Researchers were surveyed to determine their existing and anticipatedHPC requirements. We (~194 of us) said (e.g.):Processors to run a code< 1010 - 100100 - 1000 >10,000In 2010 40% 39% 15%5%In 2015 12% 32% 38%17%File Space per experiment < 100GB 1 - 10 TB100 TB>1PBIn 2010 64% 35%0%0.6%In 2015 27% 58%13% 3%Off-Site Data Transfers/day < 100MB 1GB1TB >10TBIn 2010 33% 42%21% 4%In 2015 17% 28%33% 23%7 8. Why hadnt this already happened?Coordination failure..a collective failure to coordinate investment decisions for the greater benefit (value, efficiency)We see a coordination failure (coordination of capital and resources) leading to HPC facilities that dont achieve thescale required for demanding research applicationsFunding strategy aligns Opex and Capex Crown and collaborators fund both, clarifying intentValue to CrownValue to InstitutionsWhy do we need Government investment? Why co-invest into national infrastructure? overcome coordination failure new investment into institutions and reach scale and maturity sector efficient investment in criticalcreate scalable mature facilitiesinfrastructuretrust and control ensure good fit to needs 9. What did we decide on?Shared facilitiesshared facilities accessible nationallyNational Access schemesingle Access Policy for all HPC facility accessNational Teamsingle Team nationally sharing practices and expertise 10. Investment partners 11. CrownAuckland / Landcare / Invest over 3 years, plus out-yearsOtago People Governance Commodity clusterPrincipal Investors &Independent Directors Storage& Crown Observer Portion offacilities, power, depreciation Transparent costs Collaborative Cluster & Virtual hosting CanterburyServices PeopleNIWA HPC HPC &National eScience People New storageHPC & HPC capacityServices Infrastructure Portion ofServices Storage facilities, power, depreciationProcurement costs Portion ofOperational management facilities, power, depreciation costsData and Compute AccessOutreachScientific Computing Experts LegendFinancial flowsFacilitiesAccessResearchersManaged AccessPrivate Industry Institutional InvestorsResearch institutions (non investors) Access through a single front door Access through a single front door Access through a single front door Capacity scaled out from partners capabilities Specialised concentrations of capability at each institution Capacity scaled out from partners capabilities Managed and metered access to Receive government coinvestment Managed and metered access to resources, across resources, across all resource types Capacity available to institutions reflects their level of investment all resource types Access fee calculated as full costs of metered use Managed and metered access to resources, across all resource types Access fee initially calculated as partial costs of of resources Institutions access costs covered by investmentmetered use of resources and reviewed annually 12. How is NeSI Funded?There are three anchor partners: The University of Auckland (receives Crown funding of ~$2.2M pa); including two associates (Associate Investors): Landcare and University of Otago. University of Canterbury (receives Crown funding of ~$2.6M pa); NIWA (receives Crown funding of ~$1.0M pa);Crown investment is $27M over 3 yearsInstitutional investment is $21M over 3 years $15.4M in Capital Expenditure & $5.6M in Operational ExpenditureWhich provides: 4 HPC systems at Universities of Auckland & Canterbury, and at NIWA NeSI Directorate at Auckland (5 staff positions + admin) 5.5 FTEs Systems Engineers ~ 5.5 FTEs, Services & Application Engineers ~ 5.5 FTEs, Site Management 1.8 FTEs HPC specialist Scientific Programmers ~5.7 FTEsAnd access is allocated in the following way: anchor partners (called Collaborators) reserve 60% of the HPC capacity for their purpose and 40% is available, by any researcher at a public research institution in NZ with an active peer-reviewed grant12 13. What are NeSIs objectives?1. Creating an advanced, scalable computing infrastructure to support New Zealands research communities; i.e. International scale as opposed to institutional/department scale.2. Providing the grid middleware, research tools and applications, data management, user- support, and community engagement needed for the best possible uptake (of HPC); i.e. enable efficient use of and easy access to these systems.3. Encouraging a high level of coordination and cooperation within the research sector; i.e. fit the science to the HPC as opposed to my institutions resources (shared services and resources).4. Contributing to high quality research outputs from the application of advanced computing and data management techniques and associated services, which support the Governments published priorities for science. i.e. Its all about better science to underpin national outcomes. 13 14. Research e-Infrastructure Roadmap - 2012NZ Genomics Ltd Genomics NZ Genomics Ltd Bioinformatics CloudResearch DataDataInfrastructureeScience BeSTGRID Services NeSI eScience New ZealandBeSTGRID Cluster NeSI @New Zealand + GPU Cluster eScience Intel: AucklandNew ZealandHPCeScienceInfrastructure eScienceBlueFern BlueGene/LNeSI @ BlueFern: BlueGene/P + P7Infrastructure 2011 - 2014InfrastructureNIWA CrayNeSI @ NIWA: 2014 P5752011 - HPC 2014 2019 Identity BeSTGRID FederationTuakiri Research Access Federation NetworkREANNZ KAREN Advanced Research NetworkKAREN 2.02006 2008201020122014 15. An Introductionto Supercomputing Dr. Michael J. UddstromDirector, NIWA High Performance ComputingFacility michael.uddstrom@niwa.co.nz 16. Processor Trends and Limits 17. What is a Supercomputer (or HPC)? There are two basic types: Capability (aka Supercomputers): provide the maximum computing power available tosolve large problems: the emphasis is on problem size (large memory, lots of cores) . e.g: IBM p775/p7 & p575/p6, Cray XK6, IBM BG/Q & BG/P Capacity: typically use efficient cost-effective computing components: the emphasis ison throughput (dealing with loads larger than a single PC/small cluster), e.g: IBM iDataPlex, HP Cluster Platform n000 The essential differences between Capability & Capacity systems are: the interconnect fabric performance; the processor performance, and reliability (i.e. resiliency to component failure). Supercomputers have high efficiency: Efficiency = sustained-performance / peak-performance (%). 18 18. What types of HPC do we need? It depends on the problem (and the data locality) Is it Embarrassingly Parallel (EP)? This means the problem can be split into independent tasks, with each sen