1. 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 3 - Department of Computer Science Advanced Visualization Research Center 4 - Oak Ridge National Laboratories Oak Ridge, Tennesse UVAGUVAG 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. 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 Presentation UVAGUVAG

3. UVAGUVAG What is a VE?

4. UVAGUVAG Viewer immersed In 3D-structure. Gives viewer unique perspective to study 3D structure / property relationships. UVAGUVAG

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

6. 2100 SF

8. 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 UVAGUVAG Application Programming Interfaces (APIs) used and developed at VT:

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

10. UVAGUVAG Shared Virtual Environments CAVERNsoft - Limbo: CAVE Collaborative Console (CCC) http://www.sv.vt.edu/future/cave/software/ccc/

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

12. UVAGUVAG 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”

13. UVAGUVAG Participants Awareness Recorder CAVE Collaborative Console (CCC) Fernado das Neves, Ron Kriz, John Kelso

14. AtomView UVAGUVAG NCSA: J. Shalf VT: R.D. Kriz / D. Farkas With AtomView material scientists can analyze and interpret physics based simulation results Physics based Simulation

15. UVAGUVAG UVAGUVAG

16. UVAGUVAG 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

17. D evice I ndependent V irtual E nvironment: R econfigurable, S calable, E xtensible UVAGUVAG http://diverse.sourceforge.net

19. GNU GPL - LGPL fosters collaboration

20. UVAGUVAG http://www.sv.vt.edu/future/cave/software/D_atomview/D_atomview.html DIVERSE Atomview

21. UVAGUVAG http://www.sv.vt.edu/future/cave/software/D_collabtools/D_collabtools.html DIVERSE Collab Tools

22. UVAGUVAG Add and Associate Graphical Objects

23. UVAGUVAG Item Control / Manipulation

24. UVAGUVAG 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. R. Batra, ESMD. Farkas, MSE R. Kriz, ESM Macro Nano Micro

25. UVAGUVAG Example: 3D Wave Surface Working “Real-Time” Archive Submit

26. UVAGUVAG Results.html Results Viewed at Desktop Results Viewed In the CAVE (see next slide) email notifies user simulation completed

27. 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.

28. UVAGUVAG

29. UVAGUVAG Examples of Insight animation Twining at grain boundaries

30. UVAGUVAG

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32. UVAGUVAG 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.