CyberInfrastructure at NSF
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Transcript of CyberInfrastructure at NSF
CyberInfrastructure
at NSF
José Muñoz , Ph.D.Office of CyberInfrastructure
Deputy Office DirectorSenior Science Advisor
Presented to:iGrid 2005
27 Sep 2005
Muñoz 2
Outline
NSF organizational changes CyberInfrastructure (CI) at NSF New Acquisition Announcement NSF’s TeraGrid Effort TeraGrid Examples Summary
Muñoz 3
NSF [will provide] world-class computing environments to academic researchers across the complete spectrum of basic research in science and engineering. In addition to raw computational capability, NSF will ensure that these environments include a balanced mix of architecturally diverse computing resources and associated high-end storage and visualization platforms.
Excerpt from Report of the CIIWG May 2005
Muñoz 4
Recent Happenings
Office of Cyberinfrastructure (OCI) established
Search for OCI Office Director
Advisory Committee for CI
Agency-wide Strategic Planning Process Underway
CyberInfrastructure Council (CIC) established
Muñoz 5
NSFDirector
CISE
CCF CNS IISSCI
OCI
Muñoz 6
Education &Training
Data,Data Analysis &
Visualization
Collaboration,Communication
&Remote Access
Cyberinfrastructure Components
High PerformanceComputing
Muñoz 7
CI Strategic Planning
Ch. 1: Call to Action
Ch. 2: Strategic Plan for High Performance Computing
Ch. 3: Strategic Plan for Data, Data Analysis & Visualization
Ch. 5: Strategic Plan for Education & Workforce Development
Ch. 4: Strategic Plan for Collaboration, Communication & Remote Access
“CI Vision” document
Muñoz 8
Creating a World-Class HPC EnvironmentCreating a World-Class HPC EnvironmentTo Enable Petascale Science and EngineeringTo Enable Petascale Science and Engineering
driven By The Needs Of The Science and driven By The Needs Of The Science and Engineering CommunitiesEngineering Communities
Strategic Plan for High Performance Computing
(FY 2006 – 2010)
Muñoz 9
Strategic Plan for High Performance
Computing(2006-2010)
Private Sector
Agency Partners
HPC Resource Providers
S&ECommunity
Portable, Scalable Applications Software &Services
SoftwareService
Provider (SSP)
SSP
SSP
Science-Driven HPC Systems
ComputeEngines
Local Storage Visualization
Facilities
Muñoz 10
Acquisition ContextOne or two high performance
computing systems will be acquired from one or more hardware vendors with funds supplied by NSF.
One or more resource providers (RPs) will manage and operate the system(s), including providing basic user support and services.
Two RFI activities have already been executed: potential resource providers and vendors, application scientists
Formal solicitation announcement from NSF’s Office of CyberInfrastructure by 30Sep05
Muñoz 11
Acquisition Strategy
FY06 FY10FY09FY08FY07
Sc
ien
ce a
nd
en
gin
eerin
g
cap
ab
ility
(log
rithm
ic s
cale)
Typical university HPC systems
Track 1 system(s)
Track 2 systems
Muñoz 12
TeraGrid (ETF) and HPC
TeraGrid
Provides a Unified User Environment to Support
High-capability, Production-quality CI Services.
• Production HPC is one of several CI service components• Integration of services provided by grid technologies• Distributed, open architecture, sites may join
SSP
SSP
SSP
HPC
World-class HPC EnvironmentFor Petascale Science and
Engineering
• Production HPC is the focus• Portability and scalability addressed in software engineering services• NSF and partner agencies support range of activities
Muñoz 13
Courtesy of TeraGrid
TERAGRID Partners
www.teragrid.org
Muñoz 15
Computational Science is no longer a cottage industry
Can we make many computing/data centers behave as one center? Defining accessibility, performance, administration,
policy…
Can national and international resources be integrated with community portals? Seamlessly extending portals built around local resources
What steps can be made towards a national or global cyberinfrastructure? Establishing an extensible technical and cooperative
basis
Courtesy of TeraGrid
Muñoz 16
TeraGrid Today: the Extensible Terascale Facility
August 2005 –Phase 2 Begins Science Outreach and
Operations Architectural & Scale
Diversity 13 Partners: adding
UNC, ISI, GaTech, UWisc 16 Systems,
9 Architectures (adding Cray)
$148M over 5 years 138 full time
equivalents
CI Operations, Networking &
Security
Community Engagement:
Science Gateways
User Support Team
Software Integration
Integration Team(Grid Infrastructure Group)
Resource Providers and Facilities
Courtesy of TeraGrid
Resource Providers: Resources and Services
Grid Infrastructure Group (GIG)Architecture, Software, Operations, Common Services, Coordinated User Support, Science Gateways
Grid Infrastructure Group (GIG)Architecture, Software, Operations, Common Services, Coordinated User Support, Science Gateways
ANL/UC IU NCSA ORNL PSC Purdue SDSC TACC
ComputeResources
(60 TF)and
User Support
Itanium20.5 TF
IA-320.5 TF
Itanium20.2 TF
IA-322.0 TF
Itanium2 10 TF
SGI SMP6.5 TF
IA-320.3 TF
XT310 TF
TCS 6 TF
Marvel0.3 TF
IA-3211 TF
Hetero 1.7 TF
Itanium24.4 TF
Power4+1.1 TF
IA-326.3 TF
Sun (Vis)
Network(Hub)
30 Gb/sCHI
10 Gb/sCHI
30 Gb/sCHI
10 Gb/sATL
30 Gb/sCHI
10 Gb/sCHI
30 Gb/sLA
10 Gb/sCHI
Online Storage(>3 PB)
20 TB 32 TB 600 TB 1 TB 300 TB 1200 TB 50 TB
Archive Storage(> 15 PB)
1.2 PB 3 PB 2.4 PB 6 PB 2 PB
(90+) Data Collections
Yes Yes Yes Yes Yes
Instruments Yes Yes
Visualization Yes Yes Yes Yes Yes
Communications, EOT
Yes Yes Yes Yes Yes Yes
Courtesy of TeraGrid
Muñoz 18
The TeraGrid Strategy
TeraGrid DEEPEnabling terascale science
Make science more productive through a unified set of very-high capability resources.
TeraGrid WIDEEmpowering science communities to leverage
TeraGrid capabilitiesBring TeraGrid capabilities to the broad science community
TeraGrid OPENDriving the evolution of cyberinfrastructure
Interoperation with other Grids and facilitating addition of resources from new partners into the TeraGrid environment
Courtesy of TeraGrid
Muñoz 19
User CommunitiesExpert and Advanced Users (100s) Want to log into supercomputers, develop and run applications
Interest in turnaround, can use a variety of platforms
Broad Science Community (1,000s) Want to use applications provided by others to carry out studies
Interest in turnaround and avoiding details of computing and data management
Interest in workflow management tools to automate procedures
Public Access (10,000s, including education) Want to use simple applications for small, possibly fixed, set of jobs
DEEP
WIDE
Courtesy of TeraGrid
Muñoz 20
TeraGrid WIDE: What are Science Gateways?
Gateways Enable whole communities to take advantage of TeraGrid resources, Engage science communities that are not traditional users of
supercomputing centers,
by Providing community-tailored access to TeraGrid services and
capabilities.
Models Web-based community Portals employ Grid Services to provide
TeraGrid-deployed applications. Coordinated access points enable users to move seamlessly
between TeraGrid and other grids. Application programs running on users' machines access services in
TeraGrid (and elsewhere).
All take advantage of existing community investment in software, services, education, and other components of Cyberinfrastructure.
Courtesy of TeraGrid
Muñoz 21
Challenges in Gateways
Many common needs and issues across Gateways Accounts – support for community accounts Accounting – services to track and audit usage Security – individual, portal or community certificates Scheduling – centralized job management Web Services – standardized interfaces to the above Portal Middleware – integration with available
frameworks Data Access – supporting data collections Servers – for hosting portals within TeraGrid Primer – for Science Gateways
Courtesy of TeraGrid
Muñoz 22
Gateways that Bridge to Community GridsMany Community Grids already
exist or are being built NEESGrid, LIGO, Earth Systems
Grid, NVO, Open Science Grid, etc.
TeraGrid will provide a service framework to enable access that is transparent to users The community maintains and
controls the GatewayDifferent communities have
different requirements. NEES and LEAD will use
TeraGrid to provision compute services
LIGO and NVO have substantial data distribution problems
All of them require remote execution of multi-step workflows
Technical Approach
•Develop web services interfaces (wrappers) for existingand emerging bioinformatics tools
• Integrate of collections of tools into Life Science servicebundles that can be deployed as persistent services onTeraGrid resources
• Integration of TG hosted Life Science services withexisting end-user tools to provide scalable analysiscapabilities
Existing User Tools(e.g. GenDB)
Life ScienceGatewayService
Dispatcher
Web ServicesInterfaces forBackendComputing
Life Science Services Bundles
..
..
..
..
TeraGridResource
Partners
On-DemandGrid Computing
StreamingObservations
Forecast Model
Data Mining
Storms Forming
Science Communities and Outreach
• Communities• CERN’s Large Hadron Collider
experiments
• Physicists working in HEP andsimilarly data intensive scientificdisciplines
• National collaborators and thoseacross the digital divide indisadvantaged countries
• Scope• Interoperation between LHC
Data Grid Hierarchy and ETF
• Create and Deploy ScientificData and Services Grid Portals
• Bring the Power of ETF to bearon LHC Physics Analysis: Helpdiscover the Higgs Boson!
• Partners• Caltech
• University of Florida
• Open Science Grid and Grid3
• Fermilab
• DOE PPDG
• CERN
• NSF GriPhyn and iVDGL
• EU LCG and EGEE
• Brazil (UERJ,…)
• Pakistan (NUST, …)
• Korea (KAIST,…)
LHC Data Distribution Model
Courtesy of TeraGrid
Muñoz 23
Neutron Science GatewaySpallation Neutron Source, Oak
Ridge National Laboratory• 17 instruments
• Users worldwide get “beam time”
• Need access to their data and post processing capabilities
• Day-1 – April 2006
• First Users – September 2006
• General Users – June 2007
• Opportunity to impact how large facilities are designed
Courtesy of TeraGrid
Muñoz 24
Grid Portal Gateways
Workflow Composer
A Portal accessed through a browser or desktop tools Provides Grid authentication and
access to services Provides direct access to TeraGrid
hosted applications as services
Required Support Services Authorization services Application deployment services Searchable metadata catalogs Information space management Workflow managers Resource brokers
Builds on NSF & DOE software Use NMI Portal Framework, GridPort NMI Grid Tools: Condor, Globus, etc. OSG, HEP tools: Clarens, MonaLisa
Courtesy of TeraGrid
Muñoz 25
CMS on the TeraGridExperiments for the Large Hadron Collider
(LHC)Compact Muon Solenoid Experiment
PI: Harvey Newman, Caltech
TeraGrid ASTA Team: Tommy Minyard, Edward Walker, Kent Milfeld
• Simulations running simultaneously across multiple TeraGrid sites, SDSC, NCSA and TACC, using grid middleware tool, GridShell
• Complex workflow consisting of multiple execution stages running a large number of serial jobs (~1000s) with very large datasets stored on SDSC HPSS and staged to local sites prior to job runs
• Used 420K CPU hours on TeraGrid systems last year, usage expected to increase this and coming years
CMS experiment is looking for the Higgs particles, thought to be responsible for mass, and to find supersymmetry, a necessary element for String Theory.
Currently running event simulations and reconstructions to validate methods prior to experimental data becoming available.
“Using the NSF TeraGrid for Parametric Sweep CMS Applications”, Proc. Int. Sym. on Nuclear Electronics and Computing (NEC’2005) Sofia, Bulgaria, Sept. 2005 Courtesy of TeraGrid
Muñoz 26
Major Major Earthquakes Earthquakes on the San on the San
Andreas Andreas Fault, 1680-Fault, 1680-
presentpresent
19061906M 7.8M 7.8 18571857
M 7.8M 7.816801680M 7.7M 7.7
Incorporate dynamic ruptures into large propagation simulations
First attempt to calculate the physics-based probabilistic hazard curves for Southern California using full waveform modeling
Uses TeraGrid compute and storage resources
PIs: Olsen (SDSU), Okaya (USC)TG ASTA Team: Cui (SDSC), Reddy (GIG)
large-scale simulation of a magnitude 7.7 seismic wave propagation on the San Andreas Fault, generating more than 50 TBs of output
Fundedby NSF GEO/CISE
Such simulations provide potentially immense benefits in saving both many lives and billions in economic losses
22
Muñoz 27
Arterial Blood Flow StudiesCross-Site Runs and Computational Steering
on the TeraGridPIs: Karniadakis & Dong (Brown); Boghosian (Tufts)
Develop and optimize infrastructure by Nov. 2005 Job manager and queuing
system Globus and MPICH-G2
installation Performance monitoring and
optimization Real-time performance data
gathering for visualization Various MPICH-G2 porting
efforts Visualization support
First simulation of complete human arterial tree Mar. 2006
TeraGrid Usage by Discipline: Jan. 2004 – June 2005
Chemistry21%
Physics15%
Materials5%
Biology26%
Engineering12%
Computer Sci/Eng
7%
Astronomy9%
Geoscience4%
Math1%
So far…So far…
280 PI’s 280 PI’s
550 projects550 projects
~800 users~800 users
42M SUs used42M SUs used~900M Cray X-MP hours~900M Cray X-MP hours
Courtesy of TeraGrid
Muñoz 29
TeraGrid Success StoriesLarge Earthquake Impact Models in TeraShake
S-CA model shows directional effects larger than expected [Olsen/Okaya/Minster]
Enhancing Oil Recovery Techniques with IPARS Data-driven optimization employing 4 TeraGrid resources [Wheeler/Saltz/Parashar]
Improving Groundwater Cleanup Decisions Identifies tradeoffs to reduce contamination at less cost [Minsker/Loftus]
Understanding Dark Energy with NVO Comparing astronomical measurements with simulations [Connolly/Scranton]
Analysis of Amphiphilic Liquids in TeraGyroid 2004 ISC Award for Integrated Data and Information Mgt. [Coveney/Boghosian]
Protein Sequence Analysis with GADU/GNARE 2.3M sequences analyzed in 8.8 days [Maltsev]
Identifying Brain Disorders with BIRN Analysis of Hippocampus shapes revealed disease patterns [Miller/Beg]
Courtesy of TeraGrid
Muñoz 30
Cyberinfrastructure Vision
NSF will support the development and maintenance of a comprehensive cyberinfrastructure essential to 21st century advances
in science and engineering.
Internet2 Universities206 University Members, May 2005
Internet2 Universities206 University Members, May 2005
Internet2 Universities
Muñoz 31