1. Toward interactive visualization in a distributed workflow Steven G. Parker Oscar Barney Ayla Khan Thiago Ize Steven G. Parker Oscar Barney Ayla Khan Thiago Ize

2. Scientific Computing and Imaging Institute, University of Utah Component-Based Architectures Experience with numerous component-based architectures CCA (Parallel, Method Invocation, multi- language) SCIRun (Shared memory, Dataflow, C++) Uintah (Parallel, Method Invocation, C++) Kepler (Single process + web services, Generalized dataflow, Java +) SCIRun2 (Distributed/Parallel, Multi-model, mutli-language)

3. Scientific Computing and Imaging Institute, University of Utah DOE Common Component Architecture Project A CA for large-scale Scientific Computation Component Characteristics ­May be SPMD or multi-threaded parallel objects Heterogeneity ­Parallel platforms to desktops and any language Local and Remote ­Parallel communication for remote parallel interfaces and 0-copy in-process connection Dynamic Composition and Integration ­Hot-swapable components, shared instances www.cca-forum.org Open forum involving DOE labs, Universities, others

4. Scientific Computing and Imaging Institute, University of Utah Uintah CCA-ish component architecture (C++ only) Plus components for multiphysics structured AMR simulations Scales to 2000+ processors Simulation Controller Simulation Controller Problem Specification Problem Specification XML Simulation (One of Arches, ICE, MPM, MPMICE, MPMArches, …) Simulation (One of Arches, ICE, MPM, MPMICE, MPMArches, …) Scheduler Tasks Data Archiver Data Archiver Tasks Callbacks MPI Assignments Load Balancer Load Balancer Configuration

5. Scientific Computing and Imaging Institute, University of Utah SCIRun

6. Scientific Computing and Imaging Institute, University of Utah SCIRun PowerApps: BioImage

7. 2/20/2004Building a KEPLER Extension Using Ptolemy II The KEPLER System for Scientific Workflows … A framework for design, execution and deployment of scientific workflows Caters specifically to the domain scientist Builds on Ptolemy II Application pull from various projects http://kepler.ecoinformatics.org Slide thanks to: Ilkay Altintas and Efrat Jeager SDSC UCSD

8. Scientific Computing and Imaging Institute, University of Utah Kepler Workflow

9. Scientific Computing and Imaging Institute, University of Utah Component Architecture Design Choices Degree of isolation: processes, threads, single address space? Mechanism for communication: dataflow, process networks, method invocation Synchronization Programming languages: expressiveness tradeoffs Data types explicitly supported Performance requirements Extra tools required? Explicit support for parallelism?  Multiple designs for component architectures +Tailored to application needs -Islands of functionality

10. Scientific Computing and Imaging Institute, University of Utah SCIRun2 SCIRun2 provides a component model for component models (metacomponents) Plug-ins provide support for: CCA SCIRun Vtk Others Components use “native” communication mechanisms to connect to similar components Bridges connect models SCIRun2

11. Scientific Computing and Imaging Institute, University of Utah Meta-components example Common Framework Driver Function Integrator Function CORBACCA Integrator Driver Bridge

12. Scientific Computing and Imaging Institute, University of Utah Application

13. Scientific Computing and Imaging Institute, University of Utah SDM Requirements Distributed Workflow Repetitive Shared resources Automatically driven Coarse-grained (seconds to minute per operation) Interactive Visualization Exploratory Dedicated resources User-driven Fine-grained (milliseconds to seconds per operation)

14. Scientific Computing and Imaging Institute, University of Utah Goal What the user wants To get work done Make hard things easy How to do this 1.Combine tools with disparate strengths 2.Make them work efficiently 3.Focus on interfaces 4.Enable consistent user interfaces

15. Scientific Computing and Imaging Institute, University of Utah Utah's Contibution To the SPA Group SCIRun can now be controlled from SPA/Kepler workflows  Server interface  JNI interface “Smart” Re-run capability Provenance framework

16. Scientific Computing and Imaging Institute, University of Utah Kepler Workflow

17. Scientific Computing and Imaging Institute, University of Utah Workflow Requirements and “Wants” We Address Seamless access to resources and services “Smart” re-runs Data provenance Reliability and fault-tolerance Detached execution From: B. Ludäscher, et al. Scientific Workflow Management and the Kepler System. Concurrency and Computation: Practice & Experience, Special Issue on Scientific Workflows, to appear, 2005.

18. Scientific Computing and Imaging Institute, University of Utah SCIRun With SPA/Kepler Kepler actor sends requests to a SCIRun server Useful for processing batch jobs or iterating through the parameter space of a SCIRun module (actor) Requires existing SCIRun network, which the workflow actor will tell SCIRun to load JNI interface to SCIRun

19. Scientific Computing and Imaging Institute, University of Utah SCIRun Server Simple TCP/IP server that can be started remotely by Kepler Accepts requests from client actor in the workflow and then sends back location of results when it has finished Allows for the possibility of remote or/and detached execution of SCIRun

20. SCIRun and Kepler Dataflow Integration Automate SCIRun network execution with a Kepler actor driving execution through a JNI interface or a remote connection to a SCIRun server Incorporate SCIRun computation and visualization with the SPA workflow engine

21. Scientific Computing and Imaging Institute, University of Utah JNI interface with workflow

22. Scientific Computing and Imaging Institute, University of Utah What is provenance data? In general: steps taken to get a result Information about computational experiments or runs of scientific workflows that is needed to reproduce results We want to log metadata, steps applied to data, tools used to create data products Useful when you want to share/publish results

23. Scientific Computing and Imaging Institute, University of Utah The Standalone Provenance Framework http://kepler-project.org/Wiki.jsp?page=KeplerProvenanceFramework

24. Scientific Computing and Imaging Institute, University of Utah “Smart” re-runs Instead of running a workflow from scratch we only re-run parts of the workflow that have not been done before Example: we change a parameter downstream and dont want to re-run the actors that lead up to the one with the parameter change Especially useful in visualization pipelines and long running workflows

25. Scientific Computing and Imaging Institute, University of Utah Utah and “Smart” Re-runs Uses VisTrails’ cache manager algorithm* Idea is to re-run as little of the network as possible by combining intermediate results from different workflow runs Recreates input to actors that need to be re- fired * L. Bavoil, et al. VisTrails: Enabling Interactive Multiple- View Visualizations. IEEE Visualization, 2005.

26. Scientific Computing and Imaging Institute, University of Utah

27. What is needed for “Smart” Re-runs We need to keep track of what we have done before Specifically we need to know what actors have been given what inputs with what outputs Stored provenance data can give us the information we need

28. Scientific Computing and Imaging Institute, University of Utah Other uses for provenance data Recreate results Recover from a system failure Checkpoint a workflow Create semantic links

29. Scientific Computing and Imaging Institute, University of Utah Future work Continue work on “Smart” Re-runs system Help workflow users integrate SCIRun with their workflows Get provenance framework checked into Ptolemy CVS Work on other provenance issues Help SCIRun users take advantage of workflow technology Develop CCA to Kepler bridging mechanisms