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SGCI - Science Gateways: An Overview


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The talk gives an overview on current trends for developing science gateways also called virtual labs or virtual research environments. It presents the services of the US Science Gateways Community Institute and international collaborations in the context of science gateways.

Published in: Software
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SGCI - Science Gateways: An Overview

  1. 1. Award Number ACI-1547611 Science Gateways: An Overview Sandra Gesing 16 October 2017 IWSG-A, Brisbane, Australia
  2. 2. 2 Data- and compute- intensive problems Research Infrastructures NO geographical boundaries Geographical boundaries
  3. 3. Importance of Scientific Software In 2009 a survey was published with answers from 2000 researchers. •  91% answered that using scientific software is important for their own research •  84% answered that developing scientific software is important for their own research •  53.5% answered that they spend more time developing scientific software than they did 10 years ago •  38% spend at least one fifth of their time developing software J.E. Hannay et al., "How Do Scientists Develop and Use Scientific Software?", Proc. ICSE Workshop Software Eng. for Computational Science and Eng., pp. 1-8, 2009.
  4. 4. State of the Art 4 Increased complexity of •  research questions •  hardware •  software •  instruments •  data volume •  data formats The need for end- to-end solutions for accessing data, software, computing services, and equipment specific to the needs of a science or engineering discipline
  5. 5. Science Gateways 5 Increased complexity of •  research questions •  hardware •  software •  instruments •  data volume •  data formats The need for end- to-end solutions for accessing data, software, computing services, and equipment specific to the needs of a science or engineering disciplineScience Gateways!
  6. 6. 6
  7. 7. 7 It’s a Science Gateway It’s a Research Portal It’s a Collaboratory It’s a Cyber- infrastructure It’s a Virtual Research Environment It’s a Virtual Lab
  8. 8. Technologies •  Widely used complete frameworks (Galaxy, HUBzero, Open Science Framework, Globus etc.) •  RESTful APIs and support of multiple programming languages in widely used frameworks (Apache Airavata, the Agave platform, etc.) •  Reused interface implementations such as the one of CIPRES with its RESTful API (CIPRES has served more than 20,000 users to date) •  Science gateways as a service with provision of hardware in the background such as SciGap (Science Gateway Platform as a Service) Lessons learned: approaches should be technology agnostic, using APIs and standard web technologies OR deliver a complete solution Community Engagement is key HUBzero users world wide
  9. 9. Technologies User Interface Layer HPC Facili4es Services Layer Workflow management Data management Storage Grid and Cloud services Metadata services Applica4on Layer
  10. 10. Large Infrastructure Projects •  MARVL •  HuNI •  CVL •  ENDOVL •  ASVO •  Industrial Ecology (IE) VL •  Alveo •  VGL •  BCCVL •  VHIRL •  GVL
  11. 11. Large Infrastructure Projects
  12. 12. Large Infrastructure Projects 12 •  2004 TeraGrid project director Rick Stevens recognized growth in scientific portal development and proposed the Science Gateway Program •  Followed up by XSEDE’s Science Gateway Program All users Gateways Login Gateway users are 77% of active XSEDE users in Q4 2016
  13. 13. Many Successful Groups/Centers at Universities Benefits •  Great visibility for the institution’s research activities •  Synergy between projects •  Shared resources, costs and expertise across departments •  Lower learning curves •  Expertise that is otherwise difficult for individual projects to obtain •  Ability to retain top-quality research computing support by providing interesting projects Examples for success stories: •  Center for Research Computing at the University of Notre Dame •  HUBzero Team at the Purdue University •  Science Gateways Research Center at the Indiana University •  Science Gateway Group at TACC (University of Texas, Austin)
  14. 14. Funding Bodies Funding bodies such as NSF and NIH mention science gateways direct in solicitations and roadmaps! report/Presentations/ KeynoteQualters.pdf
  15. 15. Science Gateways Community Institute - Conceptualization What services would be helpful? 2014 - Science Gateway Survey •  sent out to 29,000 persons •  4,957 responses from across domains •  52% from life, physical or mathematical sciences •  32% from computer and information sciences or engineering •  45% develop data collections •  44% develop data analysis tools •  88% felt Web-based applications were important to their work
  16. 16. Science Gateways Community Institute •  Funded from 1 Aug 2016 – 31 Jul 2021 by NSF •  Diverse expertise on demand •  Longer term support engagements •  Software and visibility for gateways •  Information exchange in a community environment •  Student opportunities and more stable career paths
  17. 17. Science Gateways Community Institute •  International Collaborations
  18. 18. Incubator Service 18 Technology Planning •  Choosing technologies •  Cybersecurity •  Software engineering •  Interfaces to compute and data •  Business model development •  Financial planning •  Project management •  Software licensing •  Staff and sustainability planning Business Planning Specialized Expertise Security • Center for Trustworthy Scientific Cyberinfrastructure Sustainability • Nancy Maron, creator of the ITHAKA S+R course on Sustaining Digital Resources Evaluation & Impact Measurement • Ann Zimmerman Consulting Campus Resource Development Client Interaction Planning •  Usability studies •  Web/visual/graphic design •  Impact measurement •  Community engagement •  Support for education Common Experiences •  Training sessions •  Group interactions Continuing Engagement •  Customized structure, content, goals •  Mentoring •  Pay It Forward A Framework for Decision Making Network / Cohort Formation An Ongoing Dispassionate Ear
  19. 19. Bootcamp at a Glance 19 •  5 full days •  Knowledge dissemination •  Interactivity •  Community formation •  Putting away the normal daily routine •  Homework
  20. 20. Scientific Software Collaborative 20 End-to-End Solutions •  Serve a diverse set of scientific domains •  Out-of-the-box gateway solution that can be customized •  Based on Docker – executable images that are the skeleton for a secure and functioning gateway •  Portable and reproducible •  Community-contributed •  API integration •  Variety of services •  Information •  Security •  Execution •  Data •  Event •  Accounting •  Hosting opportunity “Use-what-you- need” Gateway Discovery •  Open registry •  Promotes use of existing science gateways •  Community-contributed •  Admin approval •  Automated cleanup Software Integration & Community Contribution •  Docking mechanisms for community- contributed software, including NSF SI2 •  Incorporate community standards Engage Other Areas of Institute •  Support projects leverage Collaborative components •  Framework evolves as a result of gateway engagements •  Community outreach Software Marketplace for Science Gateways
  21. 21. Scientific Software Collaborative 21
  22. 22. Gateway Catalog 22
  23. 23. Gateway Catalog 23
  24. 24. Community Engagement and Exchange 24 Website Activities •  Discussion forums •  Gateway showcase with case studies •  Monthly webinar series •  Newsletters with1,300 subscribers •  News: media coverage, related happenings, academic publications, job openings, events calendar •  Curated blog with guest authors •  Professional development: synchronous and asynchronous training •  Capture client/user feedback on web and through other areas •  Tutorials and workshops •  Paper presentations •  Invited keynotes and panels •  Interactive elements: Open Space, poster session •  Travel support for students and campus IT staff Builds on 10 years of experience with GCE and IWSG series Annual Conference Campus Gateway Groups •  Task force builds campus-based expertise •  Channel for scaling institute services Outreach to Complementary NSF Initiatives •  NSF SI2 projects •  Large NSF projects •  Science and Technology Centers •  Engineering Research Centers •  MolSSI software institute collaboration
  25. 25. Science Gateways Events •  2006: GCE (Gateway Computing Environment) workshop series started – successful 10th anniversary in 2015 •  since 2013: Partnering with European IWSG (International Workshop on Science Gateways) on yearly special issue 10th IWSG will take place 13-15 June 2018 in Edinburgh, UK •  since 2015: Partnering with Australian IWSG-A (International Workshop on Science Gateways – Australia) on yearly special issue HERE and NOW! •  2016: GCE extended to Gateways conference with 120 participants at the first event Gateways 2017 will take place 23–25 October 2017 in Ann Arbor, Michigan,USA
  26. 26. International Coalition on Science Gateways Partners: Science Gateways Community Institute (USA) NeCTAR (Australia) NESI (New Zealand) Sci-GaIA (Africa) Academia Sinica Grid Computing Center (Taiwan) Software Sustainability Institute (UK) VRE4E1C (Europe) IWSG (Europe) CANARIE (Canada) Research Data Canada (Canada) IEEE Technical Area on Science Gateways (International) RDA VRE-IG (International) The International Coalition on Science Gateways aims to provide an international forum for the science gateways community to: •  Provide leadership on future directions for science gateways •  Facilitate awareness and international, regional and national developments in science gateways •  Identify and share best practice in the field
  27. 27. International Collaboration •  Improving national competitiveness •  Supporting less developed countries by developing science, technology and innovation capabilities •  Tackling global challenges such as climate change, health issues and sustainable energy resources •  Creating good and stable diplomatic relationships (and indirectly ensuring international security) •  Globalization is not new but more and more evident in industrial research and the worldwide mobility of researchers •  Smaller countries tend to collaborate internationally more often than bigger ones •  Publications with international partners are more cited than publications with one author or a group of authors from one country. 1266832886_drivers_of_international_cooperation_in_research.pdf
  28. 28. Next Steps •  Collaboration, collaboration, collaboration… •  IWSG-A/PRAGMA 33 Meeting is a great example! •  Working groups •  Integration of instruments with research infrastructures •  Sustainable science gateways •  Openly sharing of software and data - repositories •  Advancing searchability of software and data •  Reproducibility •  Processing of data •  Reports/recommendations to RIs and funding bodies on policies
  29. 29. •  Science Gateways Community Ins4tute h?p:// •  IWSG (Interna4onal Workshop on Science Gateways) h?p:// •  Gateways Conference h?p:// •  XSEDE Science Gateways h?ps:// •  CRC Science Gateways h?ps:// Thanks for your a?en4on!