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 Background: What is an immersive VE? What is a VE-simulator VE applications and their APIs EVLs CAVE-Library Atomview Collaborative CAVE Console (CCC) CCC_atom VTs DIVERSE D_Atomview D_Collab_Tools Future development of collaborative VEs Presentation UVAGUVAG UVAGUVAG What is a VE? UVAGUVAG Viewer immersed In 3D-structure. Gives viewer unique perspective to study 3D structure / property relationships. UVAGUVAG Advanced Communications & Information Technology Center (ACITC) VT-Collaboration on-campus (Connecting desktop to CAVE was critical) UVAGUVAG University Visualization & Animation Group (UVAG ) 2100 SF EVLs CAVERNsoft: Limbo (used)VTs DIVERSE: D_Collab_Tool (developed) D_collabtools/D_collabtools.html UVAGUVAG Application Programming Interfaces (APIs) used and developed at VT: 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 NUWCs TALOSS: DPF & DGL (ONR-NavCIITI) F NISTs 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 UVAGUVAG Shared Virtual Environments CAVERNsoft - Limbo: CAVE Collaborative Console (CCC) 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: 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 UVAGUVAG Participants Awareness Recorder CAVE Collaborative Console (CCC) Fernado das Neves, Ron Kriz, John Kelso 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 UVAGUVAG UVAGUVAG 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 D evice I ndependent V irtual E nvironment: R econfigurable, S calable, E xtensible UVAGUVAG GNU GPL - LGPL fosters collaboration UVAGUVAGDIVERSE Atomview UVAGUVAGDIVERSE Collab Tools UVAGUVAG Add and Associate Graphical Objects UVAGUVAG Item Control / Manipulation UVAGUVAG Combined Research Curriculum DevelopmentNetwork 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 UVAGUVAG Example: 3D Wave Surface Working Real-Time Archive Submit UVAGUVAG Results.html Results Viewed at Desktop Results Viewed In the CAVE (see next slide)notifies user simulation completed 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. UVAGUVAG UVAGUVAG Examples of Insight animation Twining at grain boundaries UVAGUVAG UVAGUVAG 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 APIs 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.