NSF PACI Program

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NSF PACI Program

• Partnerships for Advanced Computational
  Infrastructure

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In the Beginning
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Hayes Report Vision

• Provide access to high-end computing
  infrastructure for the academic scientific and
  engineering community
• Partner with universities, states, and industry
  to facilitate and enhance that access
• Support the effective use of such infrastructure
  through training, consulting, and related support
  services
• Be a vigorous early user of experimental and
  emerging high performance technologies that offer
  high potential for advancing computational
  science and engineering
• Facilitate the development of the intellectual
  capital required to maintain world leadership.

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PACI Program Mission

• Access to a diverse set of advanced and mid-range
  compute engines and data storage systems and
  experimental machine architectures
• Enabling technologies, by developing both
  software tools for parallel computation and
  software to enable use of the partnership's
  widely distributed architecturally diverse
  machines and data sources to effectively use the
  partnership's very large distributed systems
• Application technologies, by engaging groups in
  high-end applications to develop and optimize
  their discipline specific codes and software
  infrastructures and to make these available to
  the program as a whole, as well as to researchers
  in other areas and
• Education outreach and training, building growing
  awareness and understanding of how to use high
  performance computing and communications
  resources, and broadening the base of
  participation to help ensure the nation's
  continued world leadership in computational
  science and engineering.

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PACI Program Mission

• Access
• Enabling Technologies
• Application Technologies
• Education, Outreach and Training

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SDSC Resources
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PACI Program Mission

• Access
• Enabling Technologies
• Application Technologies
• Education, Outreach and Training

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Data Intensive Computing
National Archives
Reagan Moore

XML for GIS
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Data Collections
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Protein DatabankBiology Workbench
Research Collaboratory for Structural
Bioinformatics (RCSB)
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Mary Thomas

• HotPage
• LAPK
• NBCR Heart
• GAMESS
• IPG
• PACI Portal

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PACI Program Mission

• Access
• Enabling Technologies
• Application Technologies
• Education, Outreach and Training

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NPACI Alpha Projects

• BIOINFOMATICS INFASTRUCTUREfor Large-Scale
  Analyses
• PROTEIN FOLDING in a Distributed Computing
  Environment
• TELESCIENCE for Advanced Tomography Applications
• MULTI-COMPONENT MODELS for Energy and the
  Environment
• SCALABLE VISUALIZATION Toolkit for Bays to Brains
• ADAPTIVE COMPUTATIONS for Fluids in Biological
  Systems
• MONTE CARLO CELLULAR Microphysiology on the Grid

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Telescience


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It's the End of the Galaxy as We Know It
PROJECT LEADERLars E. Hernquist,
Harvard-Smithsonian Center for AstrophysicsJohn
Dubinski, University of Toronto SAC TEAMStuart
JohnsonRobert LearySDSC
Strategic Applications Collaborations
The first images from a simulation on Blue
Horizon of an encounter between our galaxy and
Andromeda. Each model galaxy contains about 10
million point-mass "stars" and is surrounded by a
2 millionparticle dark matter halo, for a total
of 24 million interacting particles tracked in
the simulation. The images depict the stars as
particles of constant brightness and do not show
star formation due to hydrodynamic effects in gas
clouds.
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Monte Carlo Cellular Microphysiology on the Grid
PROJECT LEADERSFrancine D. BermanUC San
Diego Terrence J. SejnowskiSalk Institute for
Biological Studies PARTICIPANTSDorian
ArnoldJack DongarraRichard WolskiUniversity of
Tennessee Thomas M. BartolLin-Wei WuSalk
Institute for Biological Studies Henri
CasanovaMark H. EllismanMaryann MartoneUC San
Diego
Neurotransmitter Activity MCell simulated the
transmission of 6,000 molecules of the
neurotransmitter acetylcholine (cyan specks) in a
reconstructed mouse sternomastoid neuromuscular
junction containing acetylcholinesterase (white
spheres).
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PACI Program Mission

• Access
• Enabling Technologies
• Application Technologies
• Education, Outreach and Training

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EOT
Gregory Moses, University of WisconsinAnn
Redelfs, SDSC
Rozeanne Steckler Mike Bailey

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PACI User Support Team
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What Lies Ahead?

• Cyber Infrastructure

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Cyber Infrastructure
Computation
Broadband Network Connectivity
Partnership
Large Databases Digital Libraries
People Training
Instrumentation (large and/or many small)
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MRE Budget
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• The NEES collaboratory will be developed by
  September 30, 2004, to provide new and
  challenging opportunities for integrated
  experimentation, computation, theory, databases,
  and model-based simulation in earthquake
  engineering research and education.
• The collaboratory will include approximately 20
  geographically-distributed, shared-use next
  generation earthquake engineering experimental
  research equipment installations, with
  teleobservation and teleoperation capabilities,
  networked together through the high performance
  Internet.
• In addition to providing access for telepresence
  at the NEES equipment sites, the network will use
  cutting-edge tools to link high performance
  computational and data storage facilities,
  including a curated repository for experimental
  and analytical earthquake engineering and related
  data. 

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• To provide a state-of-the-art national facility
  for field biologists to conduct cutting edge
  research spanning all levels of biological
  organization from molecular genetics to whole
  ecosystem studies and across scales ranging from
  seconds to geological time and from microns to
  kilometers
• To interconnect the geographically distributed
  parts of the facility into one virtual
  installation via communication networks so that
  members of the field biology research community
  can access the facility remotely and
• To facilitate predictive modeling of biological
  systems via data sharing and synthesis efforts by
  users of the facility.

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• Access to high performance computing is opening
  new opportunities for simulating complex systems
• Until now, we could not contemplate realistic
  calculations at meaningful spatial/temporal
  resolutions.
• Advances in speed, parallel processing, storage,
  and algorithms, plus the development of new
  theories in non-linear dynamics have created
  opportunities to change this.
• In order to produce realistic calculations in
  space-time, the models need realistic inputs of
  the rheology and dynamics of the crust and upper
  mantle.
• EarthScope is designed to provide this critical
  input.

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GriPhyN
LHC
SDSS
CMS
ATLAS
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GriPhyN Project Characteristics
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Super" Tier2 Site
Particle Physics Data Grid
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Computational Grid
W. Feiereisen/NASA
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PACI Interactions withOther Federal Programs

• PITAC
• NSF ITR Program
• DOE SciDAT Program

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PITAC Report (February 1999) http//www.ccic.gov/a
c/report/
Information technology will be one of the key
factors driving progress in the 21st century - it
will transform the way we live, learn, work, and
play.
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PITAC Findings

• Finding Federal information technology RD
  investment is inadequate
• In constant dollars, support has been flat or
  declining for ten years
• Finding Federal information technology RD is
  too heavily focused on near-term problems
• Priority has been given to short-term,
  mission-oriented goals, over long term research

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ITR Research Areas (2000)90 Million

• Advanced Computational Science (ACS)
• Human-Computer Interface (HCI)
• Information Management (IM)
• IT Education and Workforce (EWF)
• Revolutionary Computing (RC)
• Scalable Information Infrastructure (SII)
• Social and Economic Implications of IT (SOC)
• Software (SW)

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ITR Research Areas (2001)215 Million

• Systems Design and Implementation
• People Social Groups Interacting with Computers
  and Infrastructure
• Information Management
• Applications in Science and Engineering
• Scaleable Information Infrastructure and
  Pervasive Computing

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PITAC Has Been Extended
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DOE SciDAC Programs

• National Collaboratories and High Performance
  Networks
• Integrated Software Infrastructure Centers
• Computational Chemistry
• Climate Change Prediction Program
• Advanced Computational Research in Fusion Science
  
• High Energy and Nuclear Physics Research

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Fourth Year Major Review

• Subject to
• the needs of the scientific and engineering
  community
• acceptable annual progress as determined by the
  yearly PRP reviews
• availability of funds
• NSF may invite a renewal proposal from the
  Awardee
• Extend successful awards for an additional five
  year period

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Blue Ribbon Panel Charter

• Evaluate the performance of the PACI Program in
  meeting the needs of the scientific research and
  engineering community
• Recommend new areas of emphasis for the NSF
  Directorate for Computer and Information Science
  and Engineering that will respond to the future
  needs of this community
• Recommend an implementation plan to enact those
  changes