Software Sustainability Institute www.software.ac. uk Activities and Experiences from the UK Software Sustainability Institute Neil Chue Hong, [email protected]www.software.ac.uk Supported by Project funding from Where indicated slides licensed under
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Software Sustainability Institute
www.software.ac.uk
Activities and Experiences from the UK Software Sustainability InstituteNeil Chue Hong, [email protected] Support Workshop @ NeIC 2015, Espoo, 6th May 2015 (@npch)
www.software.ac.uk
Supported by Project funding from
Where indicatedslides licensed under
Software Sustainability Institute
www.software.ac.uk
People
UK Research Computing Ecosystem
Network/Collaboration
Instruments
SoftwareComputing DataCommunities
…
Software Sustainability Institute
www.software.ac.uk
Software isn’t special, it’s mainstream
69%92%
Survey of researchers from 15 Russell Group unis conducted by SSI between Aug- Oct 2014. 406 respondents covering representative range of funders, discipline and seniority. http://www.software.ac.uk/blog/2014-12-04-its-impossible-conduct-research-without-software-say-7-out-10-uk-researchers
Software Sustainability Institute
www.software.ac.uk
And everyone’s a developer
Survey of researchers from 15 Russell Group unis conducted by SSI between Aug- Oct 2014. 406 respondents covering representative range of funders, discipline and seniority. http://www.software.ac.uk/blog/2014-12-04-its-impossible-conduct-research-without-software-say-7-out-10-uk-researchers
56%
Software Sustainability Institute
www.software.ac.uk
So what’s the issue?
Survey of researchers from 15 Russell Group unis conducted by SSI between Aug - Oct 2014. 406 respondents covering representative range of funders, discipline and seniority. Analysis of data from 49,650 grant titles and abstracts published on Gateway to Researchcovering 2010-2014. Analysis of job adverts posted to jobs.ac.uk in 1H2014.
71%
4%
Of UK researchers have had no formal software development training
Of jobs advertised in UK universities were software related
77% Of PIs had not included costs for software development in bids
30%Of UK research investment has been spent on research which relies on software
… a
nd t
hen
ther
e ar
e ge
nder
rel
ated
issu
es
Software Sustainability Institute
www.software.ac.ukThe “long tail” is the
mainstream but most e-Infrastructure support is focussed on the tip
Software Sustainability Institute
www.software.ac.uk
The Software Sustainability Institute
A national facility for cultivating better, more sustainable, research software to enable world-class research• Software reaches boundaries in its
development cycle that prevent improvement, growth and adoption
• Providing the expertise and services needed to negotiate to the next stage
• Developing the policy and tools tosupport the community developing andusing research software Supported by EPSRC
Grant EP/H043160/1
Software
Policy
Training
Community
Outreach
Delivering essential software skills to researchers via
CDTs, institutions & doctoral schools
Helping the community to develop software that meets
the needs of reliable, reproducible, and reusable
research
Collecting evidence on the community’s
software use & sharing with stakeholders
Bringing together the right people to
understand and address topical
issues
Exploiting our platform to enable
engagement, delivery & uptake
Website & blog
Campaigns
Advice
Guides
Courses
Workshops
Fellowship
Research
Software
Policy
Training
Community
Consultancy50+ projects
130+ evaluations4 surgeries
35+ UK SWC workshops
1000+ learners
80+ guides50,000 readers
61 domainambassadors
20+ workshops organised
740 researchers50,000 grants
analysed
150+ contributed articles20,000 unique visitors per month
We go out to the communities, not make them come to us
FellowsBritish Antarctic SurveyCardiff Metropolitan UniversityDiamond Light SourceKing's College London (2)Imperial College London (2)Lancaster University (2)Manchester Metropolitan UniversityThe Natural History Museum LondonNorthumbria UniversityOpen UniversityRothamsted ResearchRoyal Holloway, University of LondonSheffield Hallam UniversityFreelanceQueen Mary University of LondonUniversity College London (4)University of AberdeenUniversity of BathUniversity of BristolUniversity of Cambridge (4)University of DurhamUniversity of EdinburghUniversity of KentUniversity of Manchester (2)University of Oxford (2)University of PlymouthUniversity of Reading (2)University of Southampton (2)
University of St Andrews
Software CarpentryBiochemistry; Oxford UniversityPATC Edinburgh (3)Oxford UniversityDigital Institute; Newcastle University (2)National Centre for Atmospheric ScienceEGIPhysics; Southampton UniversityDundee UniversityManchester UniversityICSS Southampton UniversityExeter UniversityUCL (3)DAMTP; Cambridge UniversityInstitute Cancer ResearchBristol UniversityGARnetMathWorks, ManchesterNOCS; SouthamptonTGACDundee UniversityNERC ATC (2)ManchesterImperial College LondonCambridgeCranfieldNottingham
Reading
WorkshopsCollaborations WorkshopResearch Software EngineersE-Infrastructure trainersELIXIR bioinformatics trainingSoftware and Polar Research Digital Research 2013SeIUCCR Summer SchoolINTECOL13Research Programming in Practice seminare-Infrastructure Academic User Community ForumEGI Community Forum 20132nd Annual DiRAC DayR Application workshopDIAMOND MX Micro SeminarDev8DPOCOS SymposiumDigital Social ResearchUK e-Science All Hands 2011Software Ontology workshop Effective Scientific Programming
Partner sitesUniversity of EdinburghUniversity of ManchesterUniversity of OxfordUniversity of Southampton
Advisory BoardDavid Gavaghan, Prof of Computational Biology, OxfordSheila Anderson, Professor of e-Research, KCLKevin Ashley, Director, Digital Curation CentreMike Chantler, Professor of Computer Vision, Heriot WattMatthew Dovey, Senior Principal Consultant, JiscNeil Geddes, Director of Technology, STFCSusan Morrell, Lead - Research infrastructure, EPSRCMark Plumbley, Director of Centre for Digital Music, QMULDavid Snelling, Assistant Division Manager, Fujitsu Labs of Europe
Software
Policy
Training
Community
Outreach
Delivering essential software skills to researchers via
CDTs, institutions & doctoral schools
Helping the community to develop software that meets
the needs of reliable, reproducible, and reusable
research
Collecting evidence on the community’s
software use & sharing with stakeholders
Bringing together the right people to
understand and address topical
issues
Exploiting our platform to enable
engagement, delivery & uptake
Software Sustainability Institute
www.software.ac.uk
Case Study: Ligand Binding
• Centre for Computational Chemistry, Bristol New methods for rapid MC sampling of biomolecular
systems modelled using QM/MM Developed two codes ProtoMS (F77) + Sire (C++) Water-Swap Reaction Coordinate method to
• SSI’s work helped assess users + scale devs Ran user observations with 4 different users ASPIRE/ACQUIRE framework has multiple devs
• Split architecture between ASPIRE (adaptive multiresolution hybrid MD simulation) and ACQUIRE (WorkPacket scheduling system with optimisation for time to result vs “green-ness”
• Science and Technology Facilities Council Metadata catalogue, used by RAL UK (ISIS,
DIAMOND, CLF), SNS US, ELLETRA Italy ICAT operationally critical at sites Huge projects looking to use ICAT
(PaNdataODI, EuDAT) Scalability issues and lack of proper processes
• SSI’s work provided 33 recommendations 15 interviews with different stakeholders 92 observations set out in report “…we must focus on doing the right things, and
this report will help us”• Alistair Mills, STFC
Governance and outreach changes to support additional users
• NSF/EPSRC Funded Polarisable empirical force fields
(AMOEBA) AMBER, Tinker, DL_POLY, ONETEP,
Q-Chem• SSI’s work is helping to coordinate
development across many packages and many people Different languages, licenses,
styles, teams
• http://apes-soft.github.io/
Software
Policy
Training
Community
Outreach
Delivering essential software skills to researchers via
CDTs, institutions & doctoral schools
Helping the community to develop software that meets
the needs of reliable, reproducible, and reusable
research
Collecting evidence on the community’s
software use & sharing with stakeholders
Bringing together the right people to
understand and address topical
issues
Exploiting our platform to enable
engagement, delivery & uptake
Software Sustainability Institute
www.software.ac.uk
SSI Training
• Software Carpentry http://software-carpentry.org International initiative to teach basics of software
engineering to computational researchers• The “why” more than the “how”
Phenomenally successful – 2x oversubscription Cheap to run but budget for 3x the coffee! SSI are UK Coordinators for SWC We ran 13 workshops in 2013 to 600+ learners
• Software Sustainability Surgeries “Bring your own code” “What makes Good Code good?” Run at existing conferences, and for software
funding programmes Offering bespoke advice as well as training
• Guides provide in depth information Licences Software development Project management Repositories and project infrastructure Open source Community building Publicising software Policy
• Top Tips provide quick overviews Software development Repositories and project infrastructure Software carpentry Citing software Data handling Promoting and communicating your project Community building and project management
Software
Policy
Training
Community
Outreach
Delivering essential software skills to researchers via
CDTs, institutions & doctoral schools
Helping the community to develop software that meets
the needs of reliable, reproducible, and reusable
research
Collecting evidence on the community’s
software use & sharing with stakeholders
Bringing together the right people to
understand and address topical
issues
Exploiting our platform to enable
engagement, delivery & uptake
Software Sustainability Institute
www.software.ac.uk
SSI Fellows
• 2015: 19 fellows
• 2014: 16 fellows
• 2013: 15 fellows
• 2012: 10 fellows
• Range of subjects, career stagessoftware.ac.uk/fellows