SNS and HFIR Facility Updates NOBUGS 2008 Steve

SNS and HFIR Facility Updates NOBUGS - 2008 Steve Miller Scientific Computing Group Leader Neutron Scattering Science Division Oak Ridge National Laboratory Managed by UT-Battelle for the Department of Energy

ORNL organization Audit and Oversight Laboratory Director’s Office Thomas Mason Scott Branham, Director Mike Rochford, Director Legal Nicole Porter, General Counsel 2 Blake Thompson, Director Laboratory Director Global Initiatives Jim Roberto Institutional Planning Jeff Smith Deputy for Science and Technology University Partnerships Deputy for Operations David Dean, Director Integrated Performance Management Jack Anderson, Director Biological and Environmental Sciences Computing and Computational Sciences Energy and Engineering Sciences National Security Physical Sciences Neutron Sciences U. S. ITER Project Reinhold Mann Assoc Lab Director Thomas Zacharia Assoc Lab Director Dana Christensen Assoc Lab Director Frank Akers Assoc Lab Director Michelle Buchanan Assoc Lab Director Ian Anderson Assoc Lab Director Ned Sauthoff Director Business and Information Services Communications and External Relations Environment, Safety, Health and Quality Facilities and Operations Human Resources Nuclear Operations Partnerships Greg Turner Chief Financial Officer Billy Stair Director Joe Herndon Director Herbert Debban Director Lori Barreras Director Kelly Beierschmitt Director Managed by UT-Battelle for the Department of Energy Tom Ballard Director

The Neutron Sciences Directorate 3 Managed by UT-Battelle for the Department of Energy UTBOG_S&T_Neu. Fac_0801

NSSD Organizational Structure Division Office Dean Myles – Director Ken Herwig – Deputy Director Science Groups 4 Support Groups TOF Inelastic Mark Hagen Data Acquisition Rick Riedel Diffraction Xun-Li Wang Scientific Computing Steve Miller Triple Axis Jaime Fernandez-Baca Sample Environment Lou Santodonato Low Q Greg Smith User Office Judy Trimble Single Crystal Bryan Chakoumakos Communications Charlie Horak Managed by UT-Battelle for the Department of Energy

ORNL Neutron Scattering Facilities SNS and HFIR · SNS construction completed May 2006, user ops December 2007 · SNS has achieved ~ 500 k. Watt sustained beam power · 4 SNS fully operational instruments · 3 SNS commissioning instruments · 4 SNS instruments will begin commissioning in FY 2009. · HFIR cold source operational May 2007 (One of the brightest in the world) · 6 HFIR operational instruments (2 SANS on cold source) · 3 HFIR instruments commissioning 5 Managed by UT-Battelle for the Department of Energy

SNS Instrument Schedule 6 Managed by UT-Battelle for the Department of Energy

HFIR Instrument Schedule – Powder Diffractometer (HB-2 A): Shutter opened and beam measured – US/Japan Triple Axis (CG-4 C): Phase 1 completed 7 Managed by UT-Battelle for the Department of Energy – Instrument Development Beamline: Initial phase completed to provide prototyping capability for Neutron Imaging, SERGIS, and MEIZE.

SNS Linear Accelerator 8 Managed by UT-Battelle for the Department of Energy 8

Accumulator Ring 9 Managed by UT-Battelle for the Department of Energy

Mercury Target installed on carriage Inflatable seals tested Mercury loaded in December Hg flow tests completed 10 Managed by UT-Battelle for the Department of Energy 10

Ba. Si. S - SNS Backscattering Spectrometer Eugene Mamontov Michaela Zamponi (Jülich) Stephanie Hammons 11 Managed by UT-Battelle for the Department of Energy

SNS Backscattering Spectrometer First Scattered Neutrons May 23, 2006 Fluorophlogopite 4 detectors 180 Watt, 821 sec 12 Managed by UT-Battelle for the Department of Energy

Off-specular with polarization analysis in-situ pumped 3 He SEOP cell July 2008 ++ +- 13 Managed by UT-Battelle for the Department of Energy -- -+

HFIR SANS Instruments In the User Program (General Purpose and Bio) Precipitate Distribution Nickel Superalloy 14 Managed by UT-Battelle for the Department of Energy Aggregation of polyglutamine fibrils

Future · 2013 - Complete currently funded SNS instrument suite to 19 instruments – Imaging and Tomography – Zeemans: diffraction, reflectivity, SANS, and inelastic scattering – e. V spectrometer · Second target station at SNS (anticipate CD 0 by early 2009) · Add 4 more cold neutron instruments at HFIR · Second guide hall at HFIR 15 Managed by UT-Battelle for the Department of Energy neutrons. ornl. gov

Instrument Commissioning Lessons – a computing perspective · Communications – – – Developing a common understanding Identifying timelines and milestones Providing needed information Updating progress Feedback mechanisms for problems and issues · Instrument teams depend upon knowledge and experience gained by the support groups · Persistence…Iteration…Refinement 16 Managed by UT-Battelle for the Department of Energy

Number of Unique Users FY 2008 FY 08 Unique User Statistics Number of Unique Users FY 2008 Institution Type 17 Managed by UT-Battelle for the Department of Energy

Computing User Statistics – FY 08 18 Managed by UT-Battelle for the Department of Energy

FY 08 – Scientific Computing Statistics · Total Number of Unique Portal Users: 283 – Number of portal users added in FY 08: 145 – Includes facility users and ORNL staff users · Number of portal visits: 7001 · Total number of monitored compute jobs run: 99, 328 · Data Repositories: – Experiment Data: · HFIR – 2 GB · IPNS – 515 GB · LENS – 2 GB · Lujan – 3 GB · SNS – 800 GB · Total: ~1. 3 TB – User Data (portal user home areas): 580 GB · Cumulative Number of files cataloged (all file types): – – – SNS: 152, 537 HFIR: 67, 489 LENS: 1537 Lujan: 722 IPNS: 259, 738 Entire repository (all facilities and years): 482, 023 19 Managed by UT-Battelle for the Department of Energy

Science via the Web SW repository Documentation Publications Data Raw d ce u d a Re Dat http: //neutronsr. us Access and authoriza tion control LEN S Data portal Analysis portal SNS software • Check-in • Translation Service • Data Reduction Commercial w Ra ta Da Analysis Computers Community code Data Management Database and flat file data 20 Managed by UT-Battelle for the Department of Energy Application Manager access protocols Meta data Computing Resource s SNS Local Analysis results ORNL OIC

NSc. D Integrated Systems Integrated Proposal Tracking System - IPTS Sample Management And Tracking System SMAr. TS Comprehensive Scheduling System Data Management • Live cataloging • ICAT & VFS Data Acquisition • Experiment data • Systems linked via the Proposal ID • Can automatically connect registered users with their data • Need to have monitoring and admin tools 21 Managed by UT-Battelle for the Department of Energy

[unofficial] Data Policy · We do not have an official data policy, but… · Data are stored by /facility/instrument/proposal · Proposal team members have access to their experiment data. · Instrument team members have access to all instrument experiment data · Administrative staff can access entire repository · The experiment PI “owns” the data 22 Managed by UT-Battelle for the Department of Energy

Collaborators and Partners · DANSE · NSTG and Tera. Grid · OSG · UTK-SQRL · UTK-CS · University of Wisconsin – Stout · Tech-X 23 Managed by UT-Battelle for the Department of Energy

Cybersecurity Update · Network topologies · User authentication · User privilege levels · USB drives · CD/DVD drives · Phising email scams 24 Managed by UT-Battelle for the Department of Energy

25 Managed by UT-Battelle for the Department of Energy