XSEDE 2.0 XSEDE 2.0: Integrating, Enabling and Enhancing National Cyberinfrastructure with Expanding Community Involvement Submitted to the National Science Foundation by invitation Principal Investigator John Towns Executive Director National Center for Supercomputing Applications (NCSA) University of Illinois 1205 W. Clark Street Urbana, Illinois 61801 Tel: (217) 244-3228 Fax: (217) 244-2909 Email: [email protected] Co-PI: Kelly Gaither Director of Visualization, Texas Advanced Computing Center Co-PI: Ralph Roskies Scientific Director, Pittsburgh Supercomputing Center Co-PI: Nancy Wilkins-Diehr Associate Director, San Diego Supercomputing Center Senior Personnel: David Hart Section Head, User Services Section, Computational and Information Systems Laboratory, National Center for Atmospheric Research Senior Personnel: David Lifka Director, Center for Advanced Computing, Cornell University Senior Personnel: Gregory D. Peterson Director, National Institute for Computational Science, University of Tennessee i XSEDE 2.0 A. Project Summary Cyberinfrastructure is the ubiquitous enabling technology supporting the mission of the National Science Foundation to promote the progress of science. The eXtreme Science and Engineering Discovery Environment (XSEDE) has served as a unifying framework for the NSF’s investment in cyberinfrastructure (CI) for four years, connecting top researchers to leading resources, facilitating scientific discovery, and enabling transformational science, engineering, scholarship, and innovative educational programs. For the next five years, the XSEDE project will carry out an ambitious plan to accelerate the integration of community-developed tools and services into the national CI ecosystem and expose that CI to a much broader community in support of research and scholarship. XSEDE will enhance the productivity of scholars, researchers, and engineers by giving them both access to and extensive support for world-class advanced CI resources. We propose an adaptive and streamlined framework for XSEDE that is driven by evolving community needs and by XSEDE’s three strategic goals: to deepen and extend use of the ecosystem of national CI by both existing computational researchers and new communities of scientists and students where the use of computation and large scale data is transforming their fields; to advance the ecosystem by creating an open and evolving infrastructure, enhancing the value of the ecosystem; and to sustain the ecosystem by maintaining a secure, reliable and efficient infrastructure. To fulfill its mission to serve the community’s needs, XSEDE will reorganize into goal-driven focus areas that will provide a more agile and responsive program designed to better support the strategic goals. A Resource Allocation Service will fulfill XSEDE’s crucial role of neutral arbiter in allocating resources from the service provider ecosystem to the research community. The revised Community Infrastructure service will identify, evaluate, test, and integrate into the infrastructure. Community Engagement & Enrichment will build on the XSEDE tradition of outstanding user services, and engage a new generation of diverse computational researchers. The Extended Collaborative Support Service will maximize the effectiveness of CI resources through its critical role of deep and direct engagements with research teams. Finally, XSEDE Operations will maintain and evolve an integrated CI capability of national scale. Intellectual Merit: XSEDE will integrate resources and services into a CI that is unique in scale and diversity, designed to enhance user productivity, interface with other CI resources, and evolve in capabilities over its lifetime. This project will evaluate and integrate the latest CI technologies, integrate missing functionalities, document and publish experiences and results, and provide requirements that drive future CI research and development. XSEDE will also work directly with leading researchers to apply XSEDE-allocated resources to groundbreaking science. The resulting infrastructure, engineering, operations, and support activities will advance distributed systems, high-end computing, and data- intensive computing, to the direct benefit of advancing science. Broader Impacts: XSEDE will serve as a focal point for advanced CI in the U.S., with its resources and services available to researchers nationwide. Its significant outreach activities—from conferences to training events to student programs—will pull together offerings from many NSF-funded activities. As CI transforms the conduct and culture of scientific collaboration, XSEDE will be there to lead, advise, and contribute to this transformation. The resulting increase in scientific output will impact the entire nation. Working with applications teams and tool developers, XSEDE will adapt best practices in digital services into professional and curriculum development programs to prepare a diverse array of current and future science, technology, engineering, mathematics, arts, humanities, and social science researchers, educators, and practitioners. In collaboration with educational institutions and other funded teams across the nation, XSEDE will promote diversity and improved digital science literacy in the U.S. workforce, with special attention to early career researchers and under-represented groups. These achievements will be realized within a framework designed for seamless continuity beyond the project lifespan, thereby preserving these efforts for the future benefit of our society. A-1 XSEDE 2.0 B. Table of Contents A. Project Summary .............................................................................................................................. A-1 B. Table of Contents .................................................................................................................................. i Foreword ..................................................................................................................................................... iii C. Project Description ........................................................................................................................... C-1 C.1 Introduction ................................................................................................................................ C-1 C.1.1 Strategic Plan: Achieving Our Mission and Goals ............................................................ C-1 C.1.2 Strategic Goals .................................................................................................................. C-1 C.1.3 Strategic Goals & Key Performance Indicators ................................................................. C-2 C.1.4 New in XSEDE 2.0 ............................................................................................................ C-2 C.1.5 The Added Value of XSEDE ............................................................................................. C-3 C.1.6 Interaction with Other National & International Cyberinfrastructures ................................ C-4 C.2 Science Case for XSEDE ........................................................................................................... C-4 C.2.1 Foundational Motivation for XSEDE.................................................................................. C-4 C.2.2 Developing the Pipeline—User Support, Training, Education & Outreach ....................... C-5 C.2.3 Highlights of Previous Achievements ................................................................................ C-5 C.2.4 Prospective Future Successes .......................................................................................... C-7 C.3 Community Engagement & Enrichment .................................................................................. C-8 C.3.1 User Engagement ............................................................................................................. C-8 C.3.2 User Interfaces & Online Information ................................................................................ C-9 C.3.3 Campus Engagement ..................................................................................................... C-10 C.3.4 Workforce Development .................................................................................................. C-10 C.3.5 Broadening Participation ................................................................................................. C-12 C.3.6 Community Engagement & Enrichment KPIs ................................................................. C-12 C.4 Extended Collaborative Support Service: Enabling the Research Community ................ C-13 C.4.1 Extended Support for Research Teams (ESRT) ............................................................. C-14 C.4.2 Novel & Innovative Projects (NIP) ................................................................................... C-14 C.4.3 Extended Support for Community Codes (ESCC) .......................................................... C-15 C.4.4 Extended Support for Science Gateways (ESSGW) ...................................................... C-15 C.4.5 Extended Support for Education, Outreach & Training (ESTEO) ................................... C-15 C.4.6 ECSS KPIs ...................................................................................................................... C-16 C.5 XSEDE Community Infrastructure: Adding value to the CI ecosystem ............................. C-16 C.5.1 Requirements