Status Report: Cyberinfrastructure

Strategic Planning Activities

BIO Advisory Committee

November 17, 2005

Manfred Zorn, Chris Greer, Liz Blood, Sally O’Connor

Recent Events

• Office of Cyberinfrastructure established

• Search for Office Director – position posted

• Advisory Committee for Cyberinfrastructure

• Agency-wide Strategic Planning Process Underway

• Cyberinfrastructure Council established

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

Charge to HPC Team

• to enable petascale science and engineering through the deployment and support of a world-class HPC environment comprising the most capable combination of HPC assets available to the academic community.

Draft plan for 5-year strategy

Draft HPC Plan

• Specification, Acquisition, Deployment and Operation of Science-Driven HPC Systems 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

Released September 26, 2005

HPC Team Progress

• High Performance Computing System Acquisition: Towards a Petascale Computing Environment for Science and Engineering

NSF 05-625

Posted September 27, 2005

Initial Hardware Acquisition

Current HPC Team Members

Abhi Deshmukh (ENG) Manfred Zorn (BIO) Frank Scioli (SBE) Debasish Dutta (EHR) Vladimir Papitashvili (OPP) Clifford Jacobs (GEO) Almadena Chtchelkanova (CISE) Celeste Rohlfing (MPS) Stephen Meacham (OCI) Jose Muñoz (OCI)

Ex officioDeb Crawford (OCI)

Continuing efforts of HPC Team• Continue developing details of the HPC

requirements in the various domains• Develop process to pick a representative set

of six or seven application benchmarks for the FY07 HPC acquisition

• Other HPC issues:– catalyze the development of new HPC codes– transform existing approaches using algorithms

better suited to the new types of HPC systems

BIO HPC efforts

• Define BIO continuum of HPC needs– Match BIO applications to HPC architecture

• Develop strategies to overcome barriers– Sociological barriers, e.g, data ownership– Technical barriers, e.g., data formats, metadata

• Other HPC issues:– catalyze the development of new HPC codes– transform existing approaches using algorithms

better suited to the new types of HPC systems

Charge to Data Team

• Provides data resources, tools, and services• Considers NSF portfolio• Promotes interoperability and collaboration• Promotes interagency partnerships• Defines a comprehensive programmatic and

policy framework

Develop a 5-year strategy that:

Data Team Members

Jim French (CISE) Chris Greer (BIO)

Fillia Makedon (OCI) Dan Newlon (SBE)

Nigel Sharp (MPS) Sylvia Spengler (CISE)

Ex officioDeb Crawford (OCI) David Lightfoot (SBE)

Data Team Timeline

• Aug. 2, 2005 Organizational meeting• Sep. 6 Outline to CI Council• Sep./Oct. Directorate input• Nov. Full draft of strategic plan• Jan., 2006 Comments on strategic plan,

Draft implementation plan

Data Team – Emerging Themes

The National Science Foundation envisions a cyberinfrastructure universe in which data are routinely deposited in convenient locations, are regularly and easily consulted in well-documented form by specialists and non-specialists alike, are openly accessible while suitably protected, and are reliably preserved.

Vision:

Data Team – Emerging Themes

Working in partnership with the community and with other US and international agencies and organizations, NSF will promote the development of a system of digital data collections that is as robust as that that exists now for preservation of information in the print realm.

.

Strategy:

Charge to COVO Team

identifies the unique scientific opportunities afforded by collaboratories, observatories and virtual organizations (COVO),

describes the resources, tools and services to enable functionally-complete knowledge environments that are highly-interactive, widely accessible, and easily usable;

identifies opportunities to realize economies of scale and scope; promotes interoperability and federalization; promotes an effective, inclusive community governance strategy; encourages strong partnerships among NSF directorates; leverages investments made by other federal agencies and

organizations, including the private sector; and defines a flexible programmatic and policy framework

Develop 5-year strategy that:

COVO Team Members

Art Goldstein (GEO) Liz Blood (BIO)Bonnine Thompson (INT)Tom Baerwald (SBE)Randy Ruchti (MPS) Chuck Baudin (MPS)Kevin Thompson* (OCI) Joy Pauschke* (ENG)

Ex officioDeb Crawford (OCI) Michael Turner (MPS)

COVO Team Timeline

• Oct. 19, 2005 Organizational meeting• Nov. 14 Outline to CI Council• Nov./Dec. Directorate input• Dec 30 Full draft of strategic plan• Feb 3, 2006 Comments on strategic plan,

Draft implementation plan

COVO Team – Emerging Themes

• Draft outline complete – pending CI Council approval– Vision– Guiding Principles– Strategies

Learning & Workforce Development(LWD Team)

• Team is now being formed, short timeline anticipated

• Ex Officio: Jim Collins (BIO), Deb Crawford (OCI)

• Sally O’Connor (BIO) will participate

• Other team members are being confirmed

Draft Charge to LWD Team

• Identifies CI-enabled opportunities in learning and workforce development

• Ensures that current and future generations of scientists and engineers have the necessary competencies

• Describes the resources, tools and services for community-developed learning environments

Prepare a five-year strategic plan that:

Draft Charge to LWD Team (cont’d)

• Encourages strong partnerships among NSF directorates

• Leverages investments made by other agencies and the private sector

• Defines a flexible programmatic and policy framework for prioritizing and managing investments.

Challenges on Different Architectures

“Loosely Coupled” “Massively Parallel”

1 10 100 1000

Genome

Annotation

Molecular dynamics of

protein machine

Stochastic metabolic / regulatory network

Small ODE Metabolic network

Genome

Assembly

Whole genome

protein threading

Physics-based protein folding

Population-based whole cell model