Mantid: A new approach to data analysis at large scale facilities Jon Taylor Project WIKI (Binary downloads) Source Code

Acknowledgements

Neutron scattering

Neutron scattering is an exceptionally powerful tool “where the atoms are and what they are doing”

Powerful instrumentation for science

New Instruments, new possibilities LET WISH

Large scale facilities operation Cost of one beam line is >10million Cost of one beam day 20k per beam line Lots of users > 1500 pa Lots of beam lines > 30 Lots of techniques Lots of different software Lots of data

Analysis and interpretation is a barrier to publication Too much single developer code Unmaintainable Undeployable Software budgets not commensurate with facilities capital investment

What is MANTID A common framework for: Reduction visualisation analysis Common language and computing environment across three facilities 40+ beam lines users per year. Professionally developed collaborative ISIS & ORNL Framework flexibility from the start Driven by the facility staff and users Two development teams A common framework for: Reduction visualisation analysis Common language and computing environment across three facilities 40+ beam lines users per year. Professionally developed collaborative ISIS & ORNL Framework flexibility from the start Driven by the facility staff and users Two development teams Cross platform Maci64 Linux x64 Rhel Ubuntu Fedora Suse Cross platform Maci64 Linux x64 Rhel Ubuntu Fedora Suse and windows 32 &64

The development team N Draper R Taylor M Gigg R Tolchenov O Arnold S Campbell P Peterson M Reuter J Zikovsky J Bilheaux A Savici J Borreguero V Lynch S Ren W Zhou M Doucet A Markvardsen K Palmen R Whitley P Parker A Buts R Fowler

Scientists iterative focused development Steering committee

Common desktop layout Instrument geometry “built in” Multiple data formats.RAW,.NXS, events Fast 3D Graphics Efficient memory management Scaleable to number of cores (openMP) Exceptionally powerful python API Scripting Scripting Python algorithm realtime plugins Python algorithm realtime plugins numpy numpy scipy scipy Ipython shell Ipython shell Paraview 3d visualisation for multidimensional data Simple workspace objects Complex functionality Recursive binning Full event mode support Optimised C++ for computational speed and cross platform deployment

Some key features...

Data reduction and visualisation example Free for users to download

Instrument view example

Future development Distributed cluster computing Distributed cluster computing model fitting for 4 dimension data volumes (including resolution convolution) model fitting for 4 dimension data volumes (including resolution convolution) Live data view Live data view Live data reduction Live data reduction Continued Integration with existing modelling packages Continued Integration with existing modelling packages Faster, better Montecarlo corrections Faster, better Montecarlo corrections Greater use of gpu compute Greater use of gpu compute

Mantid: A new approach to data analysis at large scale facilities Concluding remarks Appropriate investment in software development is essential For the facilities staff For the whole user base and user program Collaborative approach has proved very successful Mantid is a powerful framework for data analysis and visualisation Easy to extend to other facilities and other techniques Neutron scattering data Xray scattering data Generically any x,y,e dataset in n dimensions Mantid: A new approach to data analysis at large scale facilities Concluding remarks Appropriate investment in software development is essential For the facilities staff For the whole user base and user program Collaborative approach has proved very successful Mantid is a powerful framework for data analysis and visualisation Easy to extend to other facilities and other techniques Neutron scattering data Xray scattering data Generically any x,y,e dataset in n dimensions

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