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Visual Interpretation and Analysis of HPC Nanostructure Models using Shared Virtual Environments

R. D. Kriz 1 , D. Farkas 2 , A.A. Ray 3 , J.T Kelso 3 , and R.E. Flanery, Jr. 4 University Visualization and Animation Group Virginia Tech, Blacksburg, Virginia 1 - Department of Engineering Science and Mechanics 2 - Department of Materials Science and Engineering

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Visual Interpretation and Analysis of HPC Nanostructure Models using Shared Virtual Environments

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  1. R. D. Kriz1, D. Farkas2, A.A. Ray3, J.T Kelso3 ,and R.E. Flanery, Jr.4 University Visualization and Animation Group Virginia Tech, Blacksburg, Virginia 1 - Department of Engineering Science and Mechanics 2 - Department of Materials Science and Engineering 3 - Department of Computer Science Advanced Visualization Research Center 4 - Oak Ridge National Laboratories Oak Ridge, Tennesse Visual Interpretation and Analysis of HPC Nanostructure Models usingShared Virtual Environments U V A G SCS High Performance Computing Symposium 2003 Grand Challenges in Computer Simulations Orland, Florida, April 1, 2003 http://www.jwave.vt.edu/~rkriz/Presentations/hpc2003

  2. Presentation • Background: • What is an immersive VE? • What is a VE-simulator • VE applications and their APIs • EVL’s CAVE-Library • Atomview • Collaborative CAVE Console (CCC) • CCC_atom • VT’s DIVERSE • D_Atomview • D_Collab_Tools • Future development of collaborative VEs U V A G

  3. What is a VE? U V A G

  4. Viewer immersed In 3D-structure. Gives viewer unique perspective to study 3D structure / property relationships. U V A G U V A G

  5. Advanced Communications & Information Technology Center (ACITC) VT-Collaboration on-campus (Connecting desktop to CAVE was critical) University Visualization & Animation Group (UVAG) U V A G

  6. 2100 SF

  7. Application Programming Interfaces (APIs) used and developed at VT: • EVL’s CAVERNsoft: Limbo (“used”) • http://www.evl.uic.edu/cavern/cavernG2 • VT’s DIVERSE: D_Collab_Tool (“developed”) • http://www.diverse.vt.edu • http://www.sv.vt.edu/future/cave/software/ • D_collabtools/D_collabtools.html U V A G

  8. Chronology: Collaborative VEs atVT CAVE-Libs: AtomView (NSF PACI: NCSA-VT) Limbo Apps: CAVE Collaborative Console (CCC) CCC_atom (CCC + AtomView) DIVERSE Apps: Physics Based Simulations Crane-Ship: DPF & DGL (ONR-DURIP) Haptic Feedback - Molecular Docking: DTK (ASPIRES) NUWC’s TALOSS: DPF & DGL (ONR-NavCIITI) NIST’s RAVE & SmokeView: DGL (NIST) Cardiovascular Flow: CAVE-Lib & DIVERSE-DGL D_Atomview: DPF D_Xwand: DTK D_Collab_Tools: DPF Summary of Collaborative VEs APIs, and applications developed at VT U V A G

  9. Shared Virtual Environments • CAVERNsoft - Limbo: CAVE Collaborative Console (CCC) • http://www.sv.vt.edu/future/cave/software/ccc/ U V A G

  10. World-Wide Collaboration Jason Leigh & Andrew Johnson Electronic Visualization Lab (EVL), UIC Remote Participants: • Argonne National Lab • IHPC, Singapore • CRCACS, Australian NU • IML, Tokyo Univ. • CCPO, Old Dominion Unv. • NCSA, UIUC • UVAG, Virginia Tech • Northwestern Univ. U V A G

  11. I hear you. You hear me. But where are you and what are you looking at? Collaborative Awareness Tools Kevin Curry Class Project, 1998: Rosson: Computer- Supported Cooperative Work M.S. Thesis, 1999: “Supporting Collaborative Awareness in Tele-Immersion” U V A G

  12. CAVE Collaborative Console (CCC) Fernado das Neves, Ron Kriz, John Kelso Participants Awareness U V A G Recorder

  13. AtomView Physics based Simulation NCSA: J. Shalf VT: R.D. Kriz / D. Farkas With AtomView material scientists can analyze and interpret physics based simulation results U V A G

  14. U V A G U V A G

  15. Two users in CCC_atom viewing a Large Ni-Al B2 simulated structure. • AtomView Modes: • Scale Model • Scale Atoms • Navigate • Play animation • CCC features not shown: • Shared views • Jump next to • Tether to • Record play Greg Edwards U V A G

  16. http://diverse.sourceforge.net D evice I ndependent V irtual E nvironment: R econfigurable, S calable, E xtensible U V A G

  17. GNU GPL - LGPL fosters collaboration

  18. DIVERSE Atomview U V A G http://www.sv.vt.edu/future/cave/software/D_atomview/D_atomview.html

  19. DIVERSE Collab Tools U V A G http://www.sv.vt.edu/future/cave/software/D_collabtools/D_collabtools.html

  20. Add and Associate Graphical Objects U V A G

  21. Item Control / Manipulation U V A G

  22. Combined Research Curriculum Development http://www.jwave.vt.edu/crcd Network Program Interface Builder (NPIB) is a rapid application deve- lopment tool that researchers could use to create, maintain, and archive numerous parametric studies based on their legacy computer simulations. D. Farkas, MSE R. Batra, ESM Nano Macro U V A G R. Kriz, ESM Micro

  23. Example: 3D Wave Surface Working “Real-Time” Archive U V A G Submit

  24. email notifies user simulation completed Results Viewed at Desktop U V A G Results.html Results Viewed In the CAVE (see next slide)

  25. Fourth order tensor glyph viewed in the CAVE Used in ESM5344 “Wave Propagation in Solids” to study anisotropies associated with crystal class symmetries. These geometries are also used to study reflected and refracted interface waves.

  26. U V A G

  27. Examples of Insight Twining at grain boundaries animation U V A G

  28. U V A G

  29. U V A G

  30. Observations & Conclusions: • Virtual and collaborative design environments have been • at best working prototypes that are too difficult to use as • a day-to-day application. • Better API’s are needed so that scientists, engineers, and • educators can build their own applications based on the • content within their discipline. • The best designed collaborative environments will work • only within existing collaborative groups. U V A G

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