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May 13, 2015
Overview of XSEDE and Introduction to
XSEDE 2.0 and Beyond
John Towns
PI and Project Director, XSEDE
Executive Director, Science & Technology, NCSA
jtowns@ncsa.illinois.edu
License terms
• Please cite as: Towns, John Towns, John. Overview of XSEDE and
Introduction to XSEDE 2.0 and Beyond, May 2015,
[http://www.slideshare.net/jtownsil/overview-of-xsede-and-introduction-
to-xsede-20-and-beyond]
• ORCID ID: http://orcid.org/0000-0001-7961-2277
• Except where otherwise noted, by inclusion of a source URL or some other
note, the contents of this presentation are © by the Board of Trustees of
University of Illinois. This content is released under the Creative Commons
Attribution 3.0 Unported license
(http://creativecommons.org/licenses/by/3.0/). This license includes the
following terms: You are free to share – copy and redistribute the material
in any medium or format; and to adapt – remix, transform, and build upon
the material for any purpose, even commercially.
• This can be done under the following conditions: attribution – You must
give appropriate credit, provide a link to the license, and indicate if
changes were made. You may do so in any reasonable manner, but not in
any way that suggests the licensor endorses you or your use.
2
XSEDE in Context
• XSEDE is an award made under the eXtreme
Digital solicitation
– TeraGrid Phase III: eXtreme Digital Resources for
Science and Engineering (XD), NSF 08-571
• Consistent with NSF’s vision and strategy
statements
3
NSF’s Strategic Planning Documents
• Investing in Science, Engineering, and Education
for the Nation's Future - National Science
Foundation Strategic Plan for 2014-2018
• www.nsf.gov/pubs/2014/nsf14043/nsf14043.pdf
– Vision: A Nation that creates and exploits new
concepts in science and engineering and provides
global leadership in research and education.
• Cyberinfrastructure Framework for 21st Century
Science and Engineering
• www.nsf.gov/cif21
• NSF’s Advanced Computing Infrastructure:
Vision and Strategic Plan
• www.nsf.gov/pubs/2012/nsf12051/nsf12051.pdf
4
XSEDE – accelerating scientific discovery
XSEDE’s Vision:
a world of digitally-enabled scholars, researchers, and
engineers participating in multidisciplinary collaborations
while seamlessly accessing computing resources and
sharing data to tackle society’s grand challenges.
XSEDE’s Mission:
to substantially enhance the productivity of a growing
community of scholars, researchers, and engineers
through access to advanced digital services that support
open research;
and to coordinate and add significant value to the
leading cyberinfrastructure resources funded by the NSF
and other agencies.
5
Strategic Goal #1:
Deepen and Extend Use
XSEDE will:
a. deepen the use—make more effective use—of the
advanced digital services ecosystem by existing
scholars, researchers, and engineers, and
b. extend the use to new communities.
c. We will contribute to preparation—workforce
development—of the current and next generation of
scholars, researchers, and engineers in the use of
advanced digital services via training, education, and
outreach; and
d. we will raise the general awareness of the value of
advanced digital services.
6
Strategic Goal #2:
Advance the Ecosystem
Exploiting its internal efforts and drawing on
those of others, XSEDE will advance the broader
ecosystem of advanced digital services by:
a. creating an open and evolving e-infrastructure,
and
b. enhancing the array of technical expertise and
support services offered
7
Strategic Goal #3:
Sustain the Ecosystem
XSEDE will sustain the advanced digital services
ecosystem by:
a. assuring and maintaining a reliable, efficient,
and secure infrastructure, and
b. providing excellent user support services
c. XSEDE will further operate an effective,
productive, and
d. innovative virtual organization
8
XSEDE Factoids: high-order bits
• 5 year, US$121M project
– plus US$9M, 5 year Technology Investigation Service
• separate award from NSF
– option for additional 5 years of funding upon major review after
PY3
• No funding for major hardware
– coordinate, support and create a national/international
cyberinfrastructure
– coordinate allocations, support, training and documentation for
>$100M of concurrent project awards from NSF
• ~112 FTE /~250 individuals funded across 20 partner
institutions
– this requires solid partnering!
9
Total Research Funding Supported by XSEDE
in Program Year 3
10
$767 million in research
supported by XSEDE
in PY3
(July 2013-June 2014)
Research funding only. XSEDE leverages and
integrates additional infrastructure, some
funded by NSF (e.g. Track 2 systems) and some
not (e.g. Internet2).
What is XSEDE?
• An ecosystem of advanced digital services accelerating
scientific discovery
– support a growing portfolio of resources and services
• advanced computing, high-end visualization, data analysis, and other
resources and services
• interoperability with other infrastructures
• A virtual organization (partnership!) providing
– dynamic distributed infrastructure
– support services and technical expertise to enable researchers
engineers and scholars
• addressing the most important and challenging problems facing the
nation and world
• More than just a project funded by the National Science
Foundation
– XSEDE is a path-finding experiment in how to develop, deploy
and support e-science infrastructure
11
• World-class leadership
– partnership led by NCSA, NICS, PSC, TACC and
SDSC
• CI centers with deep experience
– partners who strongly complement these CI
centers with expertise in science, engineering,
technology and education
XSEDE’s Distinguishing Characteristics:
Governance
12
XSEDE offers efficient and effective
integrated access to a variety of resources
• Leading-edge distributed memory systems
• Very large shared memory systems
• High throughput systems, including Open
Science Grid (OSG)
• Visualization engines
• Accelerators like GPUs and Xeon PHIs
Many scientific problems have components that
call for use of more than one architecture.
13
XSEDEnet – Using Internet2’s AL2S Service
What do you mean by “Advanced Digital
Services?”
• Often use the terms “resources” and “services”
– these should be interpreted very broadly
– most are likely not operated by XSEDE
• Examples of resources
– compute engines: HPC, HTC (high throughput computing), campus,
departmental, research group, project, …
– data: simulation output, input files, instrument data, repositories, public
databases, private databases, …
– instruments: telescopes, beam lines, sensor nets, shake tables, microscopes, …
– infrastructure: local networks, wide-area networks, …
• Examples of services
– collaboration: wikis, forums, telepresence, …
– data: data transport, data management, sharing, curation, provenance, …
– access/used: authentication, authorization, accounting, …
– coordination: meta-queuing, …
– support: helpdesk, consulting, ECSS, training, …
– And many more: education, outreach, community building, …
15
Direct interactions with the Community
• Facilitate broad range of ground-breaking research
– provided in-depth support contributing to improved user
productivity
– supported over 14,000 publications to date
• Seamlessly integrate and retire resources
– transition users smoothly
• Pursue new disciplinary areas
– increasing the diversity of disciplines utilizing advanced
digital services
• Campus Champions continue to reach new heights
– over 240 Champions at more then 185 institutions
– expanding program: Regional, Student, and Domain
Champions
16
XSEDE Computational User Census
17
Services Provided to the Community
• The XSEDE User Portal as the place for users to go
to get information and support
– a single location for their needs
– create a single account that gives you access to all
XSEDE resources: over 18,000 accounts!
• Over 90,000 training registrations in past year!
– HPCU and CI-Tutor, as well as center trainings, have
been used in universities around the country to
prepare students to use the nation's pre-eminent
computational resources
• Field and route over 10,000 tickets annually
18
Diverse ECSS Expertise Possible Because of
Scale
• Fields of expertise: astrophysics,
bioinformatics, CFD, chemistry,
computer science, climate modeling,
engineering, genomics, hydrology,
humanities , machine learning,
molecular dynamics, phylogenetics,
physics, seismology, statistics.
• Technologies: clusters, large
shared memory systems, MICs, GPUs
• Languages: C, C++,Fortran, MPI,
OpenMP, Java, JavaScript, shell
programming, CUDA, OpenACC,
Python, R, MATLAB
• Techniques: benchmarking, cloud
computing, Condor, data mining,
databases, FFTs, finite element
methods, grid generation, grid
middleware, Lattice Boltzmann
methods, libraries, linear algebra,
Monte Carlo methods, parallel
debugging, parallel I/O, petascale
computing, scheduling, science
gateways, visualization, workflows
19
XSEDE had Major Review in September 2014
• From original cooperative agreement:
– “At approximately the 36th month NSF will engage in a
comprehensive external review of the XSEDE project to
determine whether it is appropriate to renew funding for
an additional 60 months or consider issuing a new
solicitation and proceeding with a full recompetition.”
• Review held in September 2014; panel said:
– “positive impact on science”
– has “provided the user community with capabilities for
seamlessly utilizing systems operated by multiple service
providers”
– an “impressive milestone” being achieved
– “growing evidence (of) successfully coordinating outreach
… and … participation by underrepresented groups.”
20
XSEDE Invited to Submit Renewal Proposal
• Letter received from NSF inviting a renewal proposal
– non‐competitive submission
– will be reviewed as rigorously as a competitive proposal
• Some parameters for the proposal submission:
– $100-$120M
• first round funding totaled ~$130M
– 5 years of operations, July 2016 – July 2021
– page limit of 30 pages
– no option for renewal
– due June 15, 2015
• we are at T - 4.5 weeks and counting
21
Priorities for PY6-PY10:
Extended Collaborative Support Service
• Continue to provide excellent support to the
research community via ECSS
– this effort must continue to evolve as needs and
technologies evolve
– support for data analysis and visualization
(including analytics)
• support for sensitive data
– support for executing applications in virtual
machines and containers
22
Priorities for PY6-PY10:
Community Infrastructure
• Continue to evolve the XSEDE infrastructure
– must provide support for and integration of “Track
2” resource
• Expose this architecture to the broader
community
– facilitate integration of broad range of services
• provide discoverability
– become the “connector of services” to support
the research enterprise
23
Priorities for PY6-PY10:
Toward “Sustainability”
• Developing services on offer to others: providing basic
cyberinfrastructure services
– expose services developed and put in place to operate the XSEDE
environment
– where necessary customize/extend for needs of other projects
– charge incremental costs for operating/supporting services for other
projects
• Objective is not to make money!
– provides mechanism for other NSF project investments to leverage the
XSEDE investment
– can lead to significant cost saving across NSF CI investments
– others can leverage this too: projects, institutions, regional consortia,
…
• Pilot under way: NCAR with XRAS
– will use XRAS to support allocation of NCAR resources
– expressions of interest from some campuses
24
Collaborations with Blue Waters
• Identifying opportunities for leverage
– pursuing use of XRAS to support non-PRAC
allocations of Blue Waters
– Consider integration of PRAC and XRAC processes?
• Looking for other opportunities
– What does the community see as most important
to consider?
25
Questions?
Overview of XSEDE and Introduction to XSEDE 2.0 and Beyond

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Overview of XSEDE and Introduction to XSEDE 2.0 and Beyond

  • 1. May 13, 2015 Overview of XSEDE and Introduction to XSEDE 2.0 and Beyond John Towns PI and Project Director, XSEDE Executive Director, Science & Technology, NCSA jtowns@ncsa.illinois.edu
  • 2. License terms • Please cite as: Towns, John Towns, John. Overview of XSEDE and Introduction to XSEDE 2.0 and Beyond, May 2015, [http://www.slideshare.net/jtownsil/overview-of-xsede-and-introduction- to-xsede-20-and-beyond] • ORCID ID: http://orcid.org/0000-0001-7961-2277 • Except where otherwise noted, by inclusion of a source URL or some other note, the contents of this presentation are © by the Board of Trustees of University of Illinois. This content is released under the Creative Commons Attribution 3.0 Unported license (http://creativecommons.org/licenses/by/3.0/). This license includes the following terms: You are free to share – copy and redistribute the material in any medium or format; and to adapt – remix, transform, and build upon the material for any purpose, even commercially. • This can be done under the following conditions: attribution – You must give appropriate credit, provide a link to the license, and indicate if changes were made. You may do so in any reasonable manner, but not in any way that suggests the licensor endorses you or your use. 2
  • 3. XSEDE in Context • XSEDE is an award made under the eXtreme Digital solicitation – TeraGrid Phase III: eXtreme Digital Resources for Science and Engineering (XD), NSF 08-571 • Consistent with NSF’s vision and strategy statements 3
  • 4. NSF’s Strategic Planning Documents • Investing in Science, Engineering, and Education for the Nation's Future - National Science Foundation Strategic Plan for 2014-2018 • www.nsf.gov/pubs/2014/nsf14043/nsf14043.pdf – Vision: A Nation that creates and exploits new concepts in science and engineering and provides global leadership in research and education. • Cyberinfrastructure Framework for 21st Century Science and Engineering • www.nsf.gov/cif21 • NSF’s Advanced Computing Infrastructure: Vision and Strategic Plan • www.nsf.gov/pubs/2012/nsf12051/nsf12051.pdf 4
  • 5. XSEDE – accelerating scientific discovery XSEDE’s Vision: a world of digitally-enabled scholars, researchers, and engineers participating in multidisciplinary collaborations while seamlessly accessing computing resources and sharing data to tackle society’s grand challenges. XSEDE’s Mission: to substantially enhance the productivity of a growing community of scholars, researchers, and engineers through access to advanced digital services that support open research; and to coordinate and add significant value to the leading cyberinfrastructure resources funded by the NSF and other agencies. 5
  • 6. Strategic Goal #1: Deepen and Extend Use XSEDE will: a. deepen the use—make more effective use—of the advanced digital services ecosystem by existing scholars, researchers, and engineers, and b. extend the use to new communities. c. We will contribute to preparation—workforce development—of the current and next generation of scholars, researchers, and engineers in the use of advanced digital services via training, education, and outreach; and d. we will raise the general awareness of the value of advanced digital services. 6
  • 7. Strategic Goal #2: Advance the Ecosystem Exploiting its internal efforts and drawing on those of others, XSEDE will advance the broader ecosystem of advanced digital services by: a. creating an open and evolving e-infrastructure, and b. enhancing the array of technical expertise and support services offered 7
  • 8. Strategic Goal #3: Sustain the Ecosystem XSEDE will sustain the advanced digital services ecosystem by: a. assuring and maintaining a reliable, efficient, and secure infrastructure, and b. providing excellent user support services c. XSEDE will further operate an effective, productive, and d. innovative virtual organization 8
  • 9. XSEDE Factoids: high-order bits • 5 year, US$121M project – plus US$9M, 5 year Technology Investigation Service • separate award from NSF – option for additional 5 years of funding upon major review after PY3 • No funding for major hardware – coordinate, support and create a national/international cyberinfrastructure – coordinate allocations, support, training and documentation for >$100M of concurrent project awards from NSF • ~112 FTE /~250 individuals funded across 20 partner institutions – this requires solid partnering! 9
  • 10. Total Research Funding Supported by XSEDE in Program Year 3 10 $767 million in research supported by XSEDE in PY3 (July 2013-June 2014) Research funding only. XSEDE leverages and integrates additional infrastructure, some funded by NSF (e.g. Track 2 systems) and some not (e.g. Internet2).
  • 11. What is XSEDE? • An ecosystem of advanced digital services accelerating scientific discovery – support a growing portfolio of resources and services • advanced computing, high-end visualization, data analysis, and other resources and services • interoperability with other infrastructures • A virtual organization (partnership!) providing – dynamic distributed infrastructure – support services and technical expertise to enable researchers engineers and scholars • addressing the most important and challenging problems facing the nation and world • More than just a project funded by the National Science Foundation – XSEDE is a path-finding experiment in how to develop, deploy and support e-science infrastructure 11
  • 12. • World-class leadership – partnership led by NCSA, NICS, PSC, TACC and SDSC • CI centers with deep experience – partners who strongly complement these CI centers with expertise in science, engineering, technology and education XSEDE’s Distinguishing Characteristics: Governance 12
  • 13. XSEDE offers efficient and effective integrated access to a variety of resources • Leading-edge distributed memory systems • Very large shared memory systems • High throughput systems, including Open Science Grid (OSG) • Visualization engines • Accelerators like GPUs and Xeon PHIs Many scientific problems have components that call for use of more than one architecture. 13
  • 14. XSEDEnet – Using Internet2’s AL2S Service
  • 15. What do you mean by “Advanced Digital Services?” • Often use the terms “resources” and “services” – these should be interpreted very broadly – most are likely not operated by XSEDE • Examples of resources – compute engines: HPC, HTC (high throughput computing), campus, departmental, research group, project, … – data: simulation output, input files, instrument data, repositories, public databases, private databases, … – instruments: telescopes, beam lines, sensor nets, shake tables, microscopes, … – infrastructure: local networks, wide-area networks, … • Examples of services – collaboration: wikis, forums, telepresence, … – data: data transport, data management, sharing, curation, provenance, … – access/used: authentication, authorization, accounting, … – coordination: meta-queuing, … – support: helpdesk, consulting, ECSS, training, … – And many more: education, outreach, community building, … 15
  • 16. Direct interactions with the Community • Facilitate broad range of ground-breaking research – provided in-depth support contributing to improved user productivity – supported over 14,000 publications to date • Seamlessly integrate and retire resources – transition users smoothly • Pursue new disciplinary areas – increasing the diversity of disciplines utilizing advanced digital services • Campus Champions continue to reach new heights – over 240 Champions at more then 185 institutions – expanding program: Regional, Student, and Domain Champions 16
  • 18. Services Provided to the Community • The XSEDE User Portal as the place for users to go to get information and support – a single location for their needs – create a single account that gives you access to all XSEDE resources: over 18,000 accounts! • Over 90,000 training registrations in past year! – HPCU and CI-Tutor, as well as center trainings, have been used in universities around the country to prepare students to use the nation's pre-eminent computational resources • Field and route over 10,000 tickets annually 18
  • 19. Diverse ECSS Expertise Possible Because of Scale • Fields of expertise: astrophysics, bioinformatics, CFD, chemistry, computer science, climate modeling, engineering, genomics, hydrology, humanities , machine learning, molecular dynamics, phylogenetics, physics, seismology, statistics. • Technologies: clusters, large shared memory systems, MICs, GPUs • Languages: C, C++,Fortran, MPI, OpenMP, Java, JavaScript, shell programming, CUDA, OpenACC, Python, R, MATLAB • Techniques: benchmarking, cloud computing, Condor, data mining, databases, FFTs, finite element methods, grid generation, grid middleware, Lattice Boltzmann methods, libraries, linear algebra, Monte Carlo methods, parallel debugging, parallel I/O, petascale computing, scheduling, science gateways, visualization, workflows 19
  • 20. XSEDE had Major Review in September 2014 • From original cooperative agreement: – “At approximately the 36th month NSF will engage in a comprehensive external review of the XSEDE project to determine whether it is appropriate to renew funding for an additional 60 months or consider issuing a new solicitation and proceeding with a full recompetition.” • Review held in September 2014; panel said: – “positive impact on science” – has “provided the user community with capabilities for seamlessly utilizing systems operated by multiple service providers” – an “impressive milestone” being achieved – “growing evidence (of) successfully coordinating outreach … and … participation by underrepresented groups.” 20
  • 21. XSEDE Invited to Submit Renewal Proposal • Letter received from NSF inviting a renewal proposal – non‐competitive submission – will be reviewed as rigorously as a competitive proposal • Some parameters for the proposal submission: – $100-$120M • first round funding totaled ~$130M – 5 years of operations, July 2016 – July 2021 – page limit of 30 pages – no option for renewal – due June 15, 2015 • we are at T - 4.5 weeks and counting 21
  • 22. Priorities for PY6-PY10: Extended Collaborative Support Service • Continue to provide excellent support to the research community via ECSS – this effort must continue to evolve as needs and technologies evolve – support for data analysis and visualization (including analytics) • support for sensitive data – support for executing applications in virtual machines and containers 22
  • 23. Priorities for PY6-PY10: Community Infrastructure • Continue to evolve the XSEDE infrastructure – must provide support for and integration of “Track 2” resource • Expose this architecture to the broader community – facilitate integration of broad range of services • provide discoverability – become the “connector of services” to support the research enterprise 23
  • 24. Priorities for PY6-PY10: Toward “Sustainability” • Developing services on offer to others: providing basic cyberinfrastructure services – expose services developed and put in place to operate the XSEDE environment – where necessary customize/extend for needs of other projects – charge incremental costs for operating/supporting services for other projects • Objective is not to make money! – provides mechanism for other NSF project investments to leverage the XSEDE investment – can lead to significant cost saving across NSF CI investments – others can leverage this too: projects, institutions, regional consortia, … • Pilot under way: NCAR with XRAS – will use XRAS to support allocation of NCAR resources – expressions of interest from some campuses 24
  • 25. Collaborations with Blue Waters • Identifying opportunities for leverage – pursuing use of XRAS to support non-PRAC allocations of Blue Waters – Consider integration of PRAC and XRAC processes? • Looking for other opportunities – What does the community see as most important to consider? 25
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