TeraGrid Arch MeetingRP Update: ORNL

April 23, 2009 (Dev Patel’s 19th Birthday & 24th Anniversary of Sam Ervin’s death)

John W. Cobb

Outline

• Neutron Science TeraGrid Gateway Activities• NSTG Cluster Operations• SNS Status• SNS Data Storage Experience• Other Collaborations• SULI Student Speirs result: SNS replication to

LCF-HPSS

• Mantra: Move the data! Support the experiment! connect to the national CI!

Neutron Science TeraGrid Gateway Activities 1/2

• McStas instrument simulations available from portal and routinely tested for reliability and usability.

• One user (Percival) using McStas from his login user area to design next generation engineering diffractometer

• Fitting service moving toward deployment (slowly). Interest from reflectometer group.

• SULI Summer student to look at Bayesian fitting for reflectometers as well.

• There continues to be interest for TeraGrid based dat reduction which would entail a much larger SU need.

• Portal based usage: 5X increase year over year. Seen more in jobs than SU’s at this point.

Neutron Science TeraGrid Gateway Activities 2/2

• Support of Science Gateway AA:– Plan discussed and initially developed– Will require rework of Neutron Science job orchestration engine (the proto Application Manager)

– Doable– Not trivial– In the plan to be accomplished before 9/09

NSTG Cluster Operations

• GridFTP upgraded to Sci. Lin. Stability improved• 2 nodes taken out of production to build supported

CTSS kits on compute nodes – progressing (thanks to much help from SW-WG)

• ORNL and NICS Router conversion scheduled later this month.

SNS Status 1/2

• http://neutrons.ornl.gov/portal/ (SNS with NSTG)• Ongoing instrument run times (SNS and HFIR)• New instruments in commissioning, joining user

program (Beamline: Name)– 2 Backscattering Spectrometer (BASIS)– 3 * Spallation Neutrons and Pressure Diffractometer (SNAP)– 4 A Magnetism Reflectometer (MR)– 4 B Liquids Reflectometer (LR)– 5 *Cold Neutron Chopper Spectrometer (CNCS)– 18 * Wide Angular-Range Chopper Spectrometer (ARCS)

• Instruments in Commissioning (shutters opened)– 6 Extended Q-Range Small-Angle Neutron Scattering Diffractometer (EQ-SANS)– 11A Powder Diffractometer (POWGEN)– 17 Fine-Resolution Fermi Chopper Spectrometer (SEQUOIA)

• More in the pipeline (10 more at last count) –

SNS Status 2/2

• Accelerator Beam power and uptime increasing • http://neutrons.ornl.gov/diagnostics/channel13/

ch14.html • Max power: ~ 850 kw

(every increase is a new worldrecord)

• Approaching 1.4 MW nominal• Approaching 20 MWhr/day

of beam power

Data Storage Experience

Other Collaborations - ESG

• Home Sites: http://www.earthsystemgrid.org/• Preparing fro next round of IPCC runs• Much more simulation and much, much

more data• ORNL ESG present includes an ESG test node in ORNL TG

enclave• ORNL ESG test node being installed. SW stack mostly

complete• Will (may) be used to test ESG data trasnport over TG

network from ORNl to NCAR• Installing perfsonar to test ESG and ESNet network

performance

Other Collaborations - REDDnet

• Led from Vanderbilt: http://www.reddnet.org/ • Idea: Wide area, high performance data movement• NSTG interest: Assist with moving data to/from neutron facilities and

to/from users via TG• Build on IBP “Xnodes” as a “wide area inode” analog.

• Data Transfer tool across TG boundary

• TG testing via 3 TG sties with REDDnet footprint (ORNL, SDSC, TACC)

• Support user space file systems• REDDnet will present a tutorial at

TG09 - Check it out.

Other Collaborations - Sinergie

– Project to Study diffuse scattering in single crystal experiments (X-ray and Neutron). Funded by Swiss NSF. Team:

• ETH: H.B. Burgi, K. Baldridge, PostDoc

• ORNL-SNS: C. Hoffman, S. Miller, P. Peterson

• ORNL TG: V. E. Lynch, J. W. Cobb

• MTSU: T. Koritansky, PostDoc

• Others (Mikkelsons, UW-stout, Correlli inst. Design team, …)

– Scope: • Define computational tools for structure determination for diffuse scattering

– Alternating bond lengths,

– Correlated defects,

– Lattice location substitution

– Distinguishing from background

• Developing scalable parallel fitting codes (GA’s perhaps)• Apply to X-rays and Neutrons• Use refinement by studying similar samples in X-Rays AND neutrons

– Status: funded: Kickoff meeting (Oak Ridge or Zurich) in June

Other Collaborations - DataOne

• Proposal to NSF under DataNet program• Led from UNM• NSF Action at Dec. 2008 meeting• A CA/CSA has not been issued• DataONE Management Advisory Team has been

active in a “pre-award” mode including going ahead with planning and required training (It- PM Training, …)

• Hopefully more to come if/when a CA/CSA is awarded.

SNS Data Replication to LCF-HPSS (Speirs SULI Semester Effort)