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National Science Foundation Shared Cyberinfrastructure (CI) and Complex Systems Maria K. Burka Program Director Process and Reaction Engineering

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Presentation on theme: "National Science Foundation Shared Cyberinfrastructure (CI) and Complex Systems Maria K. Burka Program Director Process and Reaction Engineering"— Presentation transcript:

1 National Science Foundation Shared Cyberinfrastructure (CI) and Complex Systems Maria K. Burka Program Director Process and Reaction Engineering (Phil Westmoreland and Bruce Hamilton) November 14, 2006 AIChE Fall Meeting, San Francisco, California

2 National Science Foundation NSF Director Office of the Inspector General Education and Human Resources National Science Board $127 $797 Computer and Information Science and Engineering $496 Mathematical and Physical Sciences $1,085$581 Geosciences $703 Social, Behavioral, and Economic Sciences $200 $577 $5,581 NSF Total National Science Foundation FY 2006 Budget ( Dollars in Millions ) Office of Cyberinfrastructure Biological Sciences Engineering

3 National Science Foundation The Demand for “Cyberinfrastructure” Vision is encapsulated in “the Atkins report” –Blue-ribbon panel, chaired by Daniel E. Atkins (now head of OCI) Calls for a national-level, integrated system of hardware, software, & data resources and services This new infrastructure would open the door to new types of scientific/engineering research and education

4 National Science Foundation Creating a National Infrastructure Traditional infrastructures provide a platform for –Moving resources from production site to where usage is –Sharing of scarce or intermittently-needed resources –Helping people access distant people, activities, resources Cyberinfrastructure  provide an Internet-based platform for locating and accessing –Information –Specialized resources –Collaborators and experts

5 National Science Foundation NSF’s CI Vision for the 21 st Century (draft – 7/20/06) Advanced computing essential to future progress across frontiers of science and engineering Way research and education is done is changing Hardware performance growing exponentially –Gate density doubling every 18 months –Storage capacity doubling every 12 months –Network capability doubling every 9 months Also need software, middleware, visualization tools, etc. CI integrates hardware for computing, data and networks, digitally-enabled sensors, observatories and experimental facilities, and an interoperable suite of software and middleware services and tools.

6 National Science Foundation NSF CI Vision (cont’d) Developing interdependent plans for –High Performance Computing –Data, Data Analysis, and Visualization –Cyber-services and Virtual Organizations –Learning and Workforce Development –Others may be added later…

7 National Science Foundation High Performance Computing (2006 – 2010) NSF five-year goal: enable petascale science and engineering Require computers operating at sustained speeds on actual research codes of floating point operations per second (petaflops) or that work with extremely large data sets of the order of bytes (petabytes) Components of implementation of petascale environment plan –Specification, acquisition, deployment and operation of science-driven HPC architectures –Development and maintenance of supporting software: new design tools, performance modeling tools, systems software, and fundamental algorithms –Development and maintenance of portable, scalable applications software

8 National Science Foundation

9 Some Current and Future Features of the TeraGrid Current teraflop (10 12 flop) total: over 102 Current storage total: over 15 petabytes (online and archival) “Mid-range” machines to be added : 4 to 8 machines, each 50 to 200 teraflops, at a total cost for all of $120 mil Petaflop machine to be added by 2011 at a cost of $200 million

10 National Science Foundation ENG NSF-wide Investments Dollars in Millions

11 National Science Foundation

12 Emerging Frontiers in Research and Innovation (EFRI)  EFRI focuses support on important emerging areas in a timely manner.  New funding opportunity for interdisciplinary teams  An opportunity for a significant leap or a paradigm shift in fundamental engineering knowledge  Deadlines for FY 2007 (NSF ):  Letter of Intent Due Date (optional): 10/16/06  Preliminary Proposal Due Date (required): 11/17/06  Full Proposal Deadline (due by 5 p.m. proposer’s local time): 4/30/07

13 National Science Foundation EFRI Areas for FY’07 (NSF ) Cellular and Biomolecular Engineering (CBE) Autonomously Reconfigurable Engineered Systems Enabled by Cyberinfrastructure (ARES-CI)

14 National Science Foundation ARES – CI (2007) –Autonomous reconfigurability (fundamental mechanism for ensuring robust system operation) – concept for ensuring appropriate operational levels during and after unexpected natural or man-made events that could impact critical engineered systems in unforeseen ways to take advantage of unexpected opportunities –Integration of hardware for computing, data and networks, digitally enabled sensor, observatories and experimental facilities, and an interoperable suite of software and middleware services and tools –Dynamically reconfigure to provide the integration required by different application domains –Ability to adapt, reconfigure and evolve in response to a changing environment, e.g., incorporate additional resources if a tsunami is detected

15 National Science Foundation ARES – CI (2007) Must Address All Three Areas! 1.Theoretical and Algorithmic Foundations Paradigms: reconfiguration/evolution as a paradigm Representation: modeling across spatial and temporal scales Metrics: relationship between reconfigurability metrics and system performance Algorithms: 2.Methods for Analysis and Synthesis Analysis: effects of connectivity on performance Synthesis: design methodologies 3.Reconfigurable System Test Beds Essentially realistic application areas

16 National Science Foundation ARES – CI Award Information Total EFRI, don’t know how will be allocated between two areas: –Estimate giving: 11 four-year awards –Total funding $22 million –Anticipated funding level: up to $500K per year for four years –Must have a PI and at least two co-PIs, all from different disciplines –Each PI or co-PI may participate in only one proposal in response to solicitation Proposal title must begin: EFRI-ARESCI …

17 National Science Foundation Other ENG CI Activities “Engineering Gateways” are of interest Had CBET CI workshop in September 2006 – can access workshop report at Are working on Simulation-Based Engineering and Science Had workshop on Complex Systems in September 2006

18 National Science Foundation Engineering Gateways (Westmoreland) o Uses of cyberinfrastructure have transformed engineering research and practice -- Think Google, think databases, think cluster and grid computing o A recent development is virtual organizations (VO’s) -- Communities of researchers and educators, linked by Web-based resources -- Can play an important role in promoting collaborations -- Focus of interaction: Web “portals” and “gateways” -- Information links, teleconferencing, sharing files, and beyond -- Journal-approved archiving of codes, raw data, and data-analysis methods -- Conduct online data re-analysis, interrogation, comparison -- Access to shared computing resources and educational software o Early NSF experience with gateways has been very positive -- nanoHub.org for nanotech researchers (PI’s from 9 universities -- PrIMe.org (Host: UC Berkeley) o NSF ENG very interested -- Possible approach: assemble VO’s and build pilot gateways with existing web tools -- Examine how fully functional gateways would be beneficial to various ENG communities -- NSF ENG hopes to initiate effort in early ’07 -> Watch the website!

19 National Science Foundation Simulation-Based Engineering Science (SBES) SBES: discipline that provides the scientific and mathematical basis for the simulation of engineered systems Framework to integrate vast range of length and time scales and diverse physical and chemical phenomena Example in chemical engineering: simultaneous optimal design of molecules and whole global manufacturing enterprises (incorporate environmental constraints in a country, raw material availability, etc.) E.g.: microelectronic devices, aircraft, energy, etc. Fuse engineering knowledge with techniques of computer science, mathematics, physical science, etc. Had Blue Ribbon Panel and is now working on a WTEC study

20 National Science Foundation Grand Challenges & The Great Payoff: Applications and Benefits of SBES Pervasive and rigorous application of SBES principles throughout science and engineering disciplines (GC) Medicine and biology Homeland security Energy and environment Materials Manufacturing

21 National Science Foundation Goal Determine the cross-cutting issues that underlie complex systems and identify fundamental research issues Outcomes –Framework for describing attributes of complex systems –Fundamental research initiatives whose pursuit would help understand/design/operate complex systems Workshop on Complex Engineered Organizational and Natural Systems ( September 28-29, 2006 ) Infrastructure/Transportation Biological Systems Healthcare Delivery

22 National Science Foundation Complex Systems Pursuing Fundamentals o The more precisely the position is determined, the less precisely the momentum is known in this instant, and vice versa. -- Heisenberg, uncertainty paper, 1927  This relation has profound implications for the determination of the future behavior of an atomic particle. o What is the analogy of Heisenberg Uncertainty Principle for Complex Systems? o Which prediction problems are hopeless and which ones can be done?


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