XSEDE: The Extreme Science and Engineering Discovery Environment Interim Project Report 8: Report Year 3, Reporting Period 3 November 1, 2018 – January 31, 2019 RY3 IPR 7 Page i XSEDE Senior Management Team (SMT) John Towns (NCSA) PI and Project Director Kelly Gaither (TACC) Co-PI and Community Engagement and Enrichment Director Philip Blood (PSC) Extended Collaborative Support Service Co-Director Bob Sinkovits (SDSC) Extended Collaborative Support Service Co-Director Greg Peterson (UT-NICS) XSEDE Operations Director David Hart (NCAR) Resource Allocations Service Director David Lifka (Cornell) XSEDE Cyberinfrastructure Integration Director Ron Payne (NCSA) Program Office Director Emre Brooks (UT-San User Advisory Committee Chair Antonio) Shawn Strande (SDSC) XD Service Providers Forum Chair Scott Wells (UT-NICS) Interim Senior Project Manager (ex officio) Lizanne Destefano Lead of External Evaluation (ex officio) Bob Chadduck Cognizant NSF Program Office (ex officio) RY3 IPR 7 Page ii Table of Contents XSEDE: The Extreme Science and Engineering Discovery Environment ...................................... i XSEDE Senior Management Team (SMT) ................................................................................................ ii List of Tables..................................................................................................................................................... vi Reading this Report ...................................................................................................................................... vii 1. Executive Summary ................................................................................................................................ 1 Strategic Goals ................................................................................................................................................. 1 Summary & Project Highlights ................................................................................................................. 4 2. Science, Engineering, & Program Highlights ................................................................................. 6 A New Way to See Stress Using Supercomputers ............................................................................. 6 Supercomputer Simulations Reveal New Insight on Sea Fog Development.......................... 8 Stopping HIV in its Tracks .......................................................................................................................... 9 Turning Animals Monogamous .............................................................................................................. 11 XSEDE Researcher Applies Supercomputing to Global Financial Markets .......................... 13 Hawai’i H2O .................................................................................................................................................... 14 Undergraduate Students Apply Advanced Computing to Combat Violence ........................ 16 XSEDE ECSS Symposium: Exploring New Levels of Complexity in ‘Hyper Glyphs’ Reveal New Insights in Visualized Data ........................................................................................................................... 17 Q&A with Roberto Camacho Barranco, XSEDE Student Ambassador .................................... 19 3. Discussion of Strategic Goals and Key Performance Indicators .......................................... 21 Deepen and Extend Use ............................................................................................................................. 21 3.1.1. Deepening Use to Existing Communities .................................................................................. 21 3.1.2. Extending Use to New Communities .......................................................................................... 22 3.1.3. Prepare the Current and Next Generation ............................................................................... 23 3.1.4. Raising Awareness ............................................................................................................................. 24 Advance the Ecosystem ............................................................................................................................. 24 3.2.1. Create an Open and Evolving e-Infrastructure ...................................................................... 24 3.2.2. Enhance the Array of Technical Expertise and Support Services .................................. 25 Sustain the Ecosystem................................................................................................................................ 25 3.3.1. Provide Reliable, Efficient, and Secure Infrastructure ........................................................ 26 3.3.2. Provide Excellent User Support ................................................................................................... 26 3.3.3. Effective and Productive Virtual Organization....................................................................... 28 3.3.4. Innovative Virtual Organization ................................................................................................... 29 4. Community Engagement & Enrichment (WBS 2.1) ................................................................... 30 CEE Director’s Office (WBS 2.1.1) ......................................................................................................... 33 RY3 IPR 7 Page iii Workforce Development (WBS 2.1.2) ................................................................................................. 33 User Engagement (WBS 2.1.3) ................................................................................................................ 34 Broadening Participation (WBS 2.1.4) ................................................................................................ 35 User Interfaces & Online Information (WBS 2.1.5) ........................................................................ 35 Campus Engagement (WBS 2.1.6) ......................................................................................................... 36 5. Extended Collaborative Support Service (WBS 2.2) ................................................................. 38 ECSS Director’s Office (WBS 2.2.1) ....................................................................................................... 40 Extended Support for Research Teams (WBS 2.2.2) ..................................................................... 40 Novel & Innovative Projects (WBS 2.2.3) ........................................................................................... 41 Extended Support for Community Codes (WBS 2.2.4) ................................................................. 41 Extended Support for Science Gateways (WBS 2.2.5) .................................................................. 42 Extended Support for Training, Education, & Outreach (WBS 2.2.6) ..................................... 42 6. XSEDE Cyberinfrastructure Integration (WBS 2.3) .................................................................. 43 XCI Director’s Office (WBS 2.3.1) .......................................................................................................... 45 Requirements Analysis & Capability Delivery (WBS 2.3.2) ........................................................ 45 Cyberinfrastructure Resource Integration (WBS 2.3.3) .............................................................. 46 7. XSEDE Operations (WBS 2.4) ............................................................................................................ 48 Operations Director’s Office (WBS 2.4.1) ........................................................................................... 49 Cybersecurity (WBS 2.4.2) ....................................................................................................................... 49 Data Transfer Services (WBS 2.4.3) ..................................................................................................... 49 XSEDE Operations Center (WBS 2.4.4) ............................................................................................... 50 System Operations Support (WBS 2.4.5) ........................................................................................... 50 8. Resource Allocation Service (WBS 2.5) ......................................................................................... 51 RAS Director’s Office (WBS 2.5.1) ......................................................................................................... 52 XSEDE Allocations Process & Policies (WBS 2.5.2) ........................................................................ 52 Allocations, Accounting, & Account Management CI (WBS 2.5.3) ........................................... 53 9. Program Office (WBS 2.6) .................................................................................................................. 55 Project Office (WBS 2.6.1) ........................................................................................................................ 57 External Relations (WBS 2.6.2) .............................................................................................................. 57 Project Management, Reporting, & Risk Management (WBS 2.6.3) ....................................... 58 Business Operations (WBS 2.6.4) .........................................................................................................