MAX IV Status Darren Spruce 2016 12 12

MAX IV Status Darren Spruce 2016 -12 -12

Meeting hopes ● Investigate convergence of software projects, consolidate existing collaborations ● PSSP participant, learn connection between Pan. DAAS, PSSP and LEAPS Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

MAX IV Controls and IT Group Status ● Group size – 30 staff, including permanent and peak load positions – Composed of engineers and scientists ● Group Budget – 2016 6 MSEK – 2017 16 MSEK

MAX IV IT Status ● Control systems for the MAX IV Accelerators and Beam Lines ● Data Acquisition, Analysis and Management systems ● Computer Infrastructure for the facility ● IT support, user office systems & office administration tools ● Scientific Software Coordination In collaboration with our MAX IV colleagues and external partners ● Lund University provide – Email exchange server – Financial systems – Personnel and salary systems

Director Christoph Quitmann Science Division Admin Division Acc. Division Jesper Andersen Tomas Lundqvist Peter Andersson Pedro Tavares Head of Controls and IT Group Manager: Darren Spruce Control System Hardware Julio Lidon-Simon Jerzy Jamroz Peter Sjöblom Gabriela Todorescu Hussein Al Salami 6 Control System Software Vincent Hardion Paul Bell Mirjam Lindberg Antonio Otero-Milan Andreas Persson Johan Forsberg Vasileios Martos Lukasz Zytniak Mikel Eguiraun Vincent Michel (2 yr peak load) Juliano Murari (2 yr BALDER) Antoine Dupre: (1 yr pk load ) Infrastructure Artur Barcyzk Daniel Liikamaa Andreas Mattson Anders Holmström Henrik Jonsson (+1) (+2 yr) Scientific and Information Management Krister Larsson Alberto Nardella Sudha Padmanabhan Fredrik Bolmsten Scientific Software Zdenek Matej Jason Brudvik

MAX IV Status - Recent Team changes ● Krister leaving – An essential part of MAX IV’s success in IT to date – Took charge of scientific data management ● Artur Barczyk joined as Infrastructure Team Leader – 20 years exp. In networking at CERN ad Caltech ● Zdenek Matej joined as Scientific Software Coordinator – Mstruct author (Microstructure analysis by powder diffraction) – Software and scientific skills ● Still trying to acquire networking people Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

MAX IV Collaborations to date ● Tango (ESRF) – Contributing member, collaboration contract ● Ice. Pa. P (ESRF) – Collaboration contract ● Electrometer (ALBA) ● Py. MCA/SILX (ESRF) ● Sardana (ALBA) ● Mx. Cu. BE (ESRF, ALBA, BESSY, DESY, SOLEIL, MAX IV, EMBL, Global Phasing) ● + starting scientific collaborations with Lunds University, other Swedish and Danish Universities (through scientists) Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

Recent Events - Timeline 2018 – Fin. EST, Co. SAXS, Softi. MAX 2016 Femto. MAX 2017 – Bio. MAX, Arpes, Balder, Nano. MAX, Flex. PES, Max. PEEM, Hippie, Veritas, Species 2020 - Med. MAX 2019 – Micro. MAX, Dan. MAX Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

Initial hardware design Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

MAX IV Scientific Compute Infrastructure, Plan for 2017 Core Network 40 GE 10 GE SUNET Edge Network Access Network Data Export Server Beamline Equipment MAX IV Central Storage Online Compute Cluster Replicated Storage LUNARC

MAX IV infrastructure Changes from initial design ● Use replication storage at Lunarc as failover – Mainly for maintenance activities – Requires changes in network connectivity between sites ● Emergence of 40 GE connected beamline devices – Connect high rate data source directly into compute & storage, bypass core network Plans for next year ● Deploy high-performance storage system ● Deploy data transfer services to sites outside MAX IV ● Investigate use of public/private cloud infrastructures

Assessment/Analysis (Lunarc desktop) Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

Scientific Software ● Diffraction – – – EDNA Mstruct Py. MCA/SILX VIPER 2 Pypty ● Soft X-Ray – SHARP (from CAMERA) – Igor pro (collecting list) ● Imaging – Pore 3 D, Me. Vis. Lab, Image. J, Compu. Cell 3 D – Tomo. Py, Py. HST, Air. Tools, Mu. Rec Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

MAX IV Scientific Software Vision ● Funding should be driven by scientists and scientific community rather than from the IT group (with IT group in contact) – People Networking: IT are informed of all initiatives which involve IT solutions in order to anticipate/feedback on integration into MAX IV Infrastructure and costs/resources – Maintain a common overview by grouping Scientific programming experts who can develop with MAX IV standards & integration – Fund extra resources e. g. Nano. MAX, BALDER, Bio. MAX, SPECIES

MAX IV IT our Swedish Collaborators Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

Perspectives: Research Council Pan. Daa. S 2 meeting 12 th December 2016 @ ESRF – Darren Spruce

Offline analysis and Long term storage Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

Services ● Data Catalogue – Not started… lack of resources ● Portable Analysis Software – Expertise distributed around, needs managing ● Data Transfer – We have a network expert but no data manager ● Federated Access – Tbd Umbrella, ORCID? ● Scientific Software – Waiting to see what happens with collaborations Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

Work in progress example: XAS GUI data analysis User-friendly Dock widgets Splitters Colormaps

Our Current Challenges ● Design evolution of our cluster ● Work processes with LUNARC ● Software Packaging ● Expertise on our infrastructure ● Recruitment of relevant skills (networking) Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

Andy's questions ● 3 top analysis applications? – Need to collect issues as beam lines are constructed ● What services could the follow infrastructures provide you in the near/medium term future? – GEANT, EGI, EUDAT, Open. Aire? • We need Sweden to provide us with near, medium term solutions ● If we submit a new PANDAAS proposal to the next EINFRA-12 call what would your institute like solve and/or work on. – Scientfic software coordination, data management Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)

Andy's Questions 2 ● (o) How do you plan to provide to make the top 3 applications you have identified available to remote users? – Applications executing on the MAX IV compute resources are built and installed with Easy. Build, and could be made available through github for execution on similar resources (e. g. SNIC) outside of MAX IV. ● (o) What additional developments and infrastructure are needed? – We have budget and estimations for hardware but still working on requirements ● (o) How will you manage access to resources for remote users versus local users? – VPN ● (o) If you say NX then what do you see as the next step after NX or do you plan to stay with NX for the foreseeable future? – Nx went away with maxlab Pan. Daa. S 2 meeting 6 th July 2016 @ ESRF - Krister Larsson (krister. larsson@maxiv. lu. se)