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Cyberinfrastructure
Technologies and Applications
    Summit on Cyberinfrastructure: Innovation At Work
                  Banff Springs Hotel
            Banff Canada October 11 2007

                    Geoffrey Fox
         Computer Science, Informatics, Physics
           Pervasive Technology Laboratories
        Indiana University Bloomington IN 47401
http://grids.ucs.indiana.edu/ptliupages/presentations/
      gcf@indiana.edu     http://www.infomall.org       1
e-moreorlessanything
    ‘e-Science is about global collaboration in key areas of science,
    and the next generation of infrastructure that will enable it.’ from
    its inventor John Taylor Director General of Research Councils
    UK, Office of Science and Technology
    e-Science is about developing tools and technologies that allow
    scientists to do ‘faster, better or different’ research
   Similarly e-Business captures an emerging view of corporations as
    dynamic virtual organizations linking employees, customers and
    stakeholders across the world.
   This generalizes to e-moreorlessanything including presumably e-
    AlbertaEnterprise and e-oilandgas, e-geoscience ….
   A deluge of data of unprecedented and inevitable size must be
    managed and understood.
   People (see Web 2.0), computers, data (including sensors and
    instruments) must be linked.
   On demand assignment of experts, computers, networks and
    storage resources must be supported
                                                                      2
What is Cyberinfrastructure
   Cyberinfrastructure is (from NSF) infrastructure that
    supports distributed science (e-Science)– data, people,
    computers
    • Clearly core concept more general than Science
   Exploits Internet technology (Web2.0) adding (via Grid
    technology) management, security, supercomputers etc.
   It has two aspects: parallel – low latency (microseconds)
    between nodes and distributed – highish latency (milliseconds)
    between nodes
   Parallel needed to get high performance on individual large
    simulations, data analysis etc.; must decompose problem
   Distributed aspect integrates already distinct components –
    especially natural for data
   Cyberinfrastructure is in general a distributed collection of
    parallel systems
   Cyberinfrastructure is made of services (originally Web
    services) that are “just” programs or data sources packaged
    for distributed access                                        3
Underpinnings of
                 Cyberinfrastructure
   Distributed software systems are being “revolutionized” by
    developments from e-commerce, e-Science and the consumer
    Internet. There is rapid progress in technology families termed
    “Web services”, “Grids” and “Web 2.0”
   The emerging distributed system picture is of distributed services
    with advertised interfaces but opaque implementations
    communicating by streams of messages over a variety of protocols
     • Complete systems are built by combining either services or
       predefined/pre-existing collections of services together to
       achieve new capabilities
   As well as Internet/Communication revolutions (distributed
    systems), multicore chips will likely be hugely important (parallel
    systems)
   Industry not academia is leading innovation in these technologies
                                                                     4
Service or Web Service Approach
   One uses GML, CML etc. to define the data structure in a
    system and one uses services to capture “methods” or
    “programs”
   In eScience, important services fall in three classes
    • Simulations
    • Data access, storage, federation, discovery
    • Filters for data mining and manipulation
   Services could use something like WSDL (Web Service
    Definition Language) to define interoperable interfaces but Web
    2.0 follows old library practice: one just specifies interface
   Service Interface (WSDL) establishes a “contract” independent
    of implementation between two services or a service and a client
   Services should be loosely coupled which normally means they
    are coarse grain
   Services will be composed (linked together) by mashups
    (typically scripts) or workflow (often XML – BPEL)
   Software Engineering and Interoperability/Standards are closely
    related                                                         5
TeraGrid resources include more than 250 teraflops of computing capability and more than 30 petabytes of
online and archival data storage, with rapid access and retrieval over high-performance networks. TeraGrid
is coordinated at the University of Chicago, working with the Resource Provider sites: Indiana University,
Oak Ridge National Laboratory, National Center for Supercomputing Applications, Pittsburgh
Supercomputing Center, Purdue University, San Diego Supercomputer Center, Texas Advanced Computing
Center, University of Chicago/Argonne National Laboratory, and the National Center for Atmospheric
Research.
                                                                    Grid Infrastructure
                                                                    Group (UChicago)
                                                           UW

                                                        UC/ANL                            PSC
                                           NCAR                             PU
                                                           NCSA
                                                                   IU                     UNC/RENCI
           Caltech
                                                                     ORNL
USC/ISI
          SDSC


                                                    TACC
            Resource Provider (RP)

            Software Integration Partner



            Computing and Cyberinfrastructure: TeraGrid
Data and Cyberinfrastructure
   DIKW: Data  Information  Knowledge  Wisdom
    transformation
   Applies to e-Science, Distributed Business Enterprise (including
    outsourcing), Military Command and Control and general
    decision support
   (SOAP or just RSS) messages transport information expressed
    in a semantically rich fashion between sources and services that
    enhance and transform information so that complete system
    provides
     • Semantic Web technologies like RDF and OWL might help us
       to have rich expressivity but they might be too complicated
   We are meant to build application specific information
    management/transformation systems for each domain
    • Each domain has Specific Services/Standards (for API’s and Information
      such as KML and GML for Geographical Information Systems)
    • and will use Generic Services (like R for datamining) and
    • Generic Standards (such as RDF, WSDL)
         Standards made before consensus or not observant of technology
          progress are dubious                                               7
Information andInformation  Knowledge
  Raw Data  Data  Cyberinfrastructure Wisdom
                          Another                                                                                   Decisions
                                                            Grid
Another             S          S             S                   S
 Grid      SS
                    S          S             S
                                   FS                 FS
                                                                 S
                         OS                                                    MD           In
                                                                                              te
           SS                 MD                                                                r-
                                                                                                  Se
                                                                                                          Po
                    FS
                                            OS              OS            FS        OS              rv         rt
                                                                                                         ic        al
                              OS                                                                           e
           SS
                                                  FS                                                           M
                                                                                             FS                 es
Another             FS                                                   FS                                         sa
                                   FS                                                                                  g
Service    SS
                                                 MD                            MD                                       es
                              OS                                                                  MD
                                                              OS
           SS                                                                           FS                         OS       Other
                    FS                 FS              FS                                                                  Service
                              MD                                         FS
           SS                                                                                            OS
                                       OS                                          OS
                FS                                FS        MD                               FS                      MD
           SS                 FS
                                            Filter Service                                               OS
Another         FS                     FS                   FS                     FS
                                                                                                                     MetaData
 Grid                         MD
           SS
                S        S         S          S        S             S         S        S            S        Sensor Service
                S        S         S          S        S             S         S        S            S
          SS




                              Another                                                                                        8
Database                      Service
Information Cyberinfrastructure
               Architecture
   The Party Line approach to Information Infrastructure is clear
    – one creates a Cyberinfrastructure consisting of distributed
    services accessed by portals/gadgets/gateways/RSS feeds
   Services include:
    • Computing
    • “original data”
    • Transformations or filters implementing DIKW (Data Information
      Knowledge Wisdom) pipeline
    • Final “Decision Support” step converting wisdom into action
    • Generic services such as security, profiles etc.
   Some filters could correspond to large simulations
   Infrastructure will be set up as a System of Systems (Grids of
    Grids)
    • Services and/or Grids just accept some form of DIKW and produce
      another form of DIKW
    • “Original data” has no explicit input; just output                9
Virtual Observatory Astronomy Grid
         Integrate Experiments
       Radio      Far-Infrared           Visible




                          Dust Map




Visible + X-ray                      Galaxy Density Map
                                                      10
11
CYBERINFRASTRUCTURE CENTER FOR POLAR SCIENCE (CICPS)
CReSIS PolarGrid
• Important CReSIS-specific Cyberinfrastructure components include
   – Managed data from sensors and satellites
   – Data analysis such as SAR processing – possibly with parallel
     algorithms
   – Electromagnetic simulations (currently commercial codes) to design
     instrument antennas
   – 3D simulations of ice-sheets (glaciers) with non-uniform meshes
   – GIS Geographical Information Systems
• Also need capabilities present in many Grids
   – Portal i.e. Science Gateway
   – Submitting multiple sequential or parallel jobs
• The need for three distinct types of components: Continental USA with
  multiple base and field camps
   – Base and field camps must be power efficient
                                                                            12
   – Terrible connectivity from base and field camps to Continental subGrid
CICC Chemical Informatics and Cyberinfrastructure
       Collaboratory Web Service Infrastructure
 Cheminformatics Services                     Statistics Services                   Database Services
 Core functionality                           Computation functionality             3D structures by
           Fingerprints                                Regression                             CID
           Similarity                                  Classification                         SMARTS
           Descriptors                                 Clustering                             3D Similarity
           2D diagrams                                 Sampling distributions
           File format conversion
                                                                                    Docking scores/poses by
 Applications                                 Applications                                   CID
           Docking                                      Predictive models                    SMARTS
           Filtering                                    Feature selection                    Protein
           Druglikeness                                 2D plots                             Docking scores
           Toxicity predictions                         Arbitrary R code (PkCell)
           Mutagenecity predictions
           Anti-cancer activity predictions                                         PubChem related data by
           Pharmacokinetic parameters                                                      CID, SMARTS
           OSCAR Document Analysis
           InChI Generation/Search                                                  Varuna.net
           Computational Chemistry (Gamess, Jaguar etc.)                                     Quantum Chemistry
Core Grid Services                                                       Portal Services
         Service Registry                                                            RSS Feeds
         Job Submission and Management                                               User Profiles
                  Local Clusters                                                     Collaboration as in Sakai
                  IU Big Red, TeraGrid, Open Science Grid
Process Chemistry-Biology Interaction Data
  from HTS (High Throughput Screening)
   Percent Inhibition
                                 Scientists at IU prefer Web 2.0 to
   or IC50 data is
   retrieved from HTS             Grid/Web Service for workflow

                                      Workflows encoding              Grids can link data
    Question: Was this
                                      plate & control well            analysis ( e.g image
                                      statistics, distribution        processing developed
    screen successful?
                                      analysis, etc
                                                                      in existing Grids),
                                                                      traditional Chem-
                                      Workflows encoding              informatics tools, as
Question: What should the
active/inactive cutoffs be?           distribution analysis of        well as annotation
                                      screening results               tools (Semantic Web,
                                                                      del.icio.us) and
Question: What can we                 Workflows encoding
                                                                      enhance lead ID and
learn about the target                statistical comparison of       SAR analysis
protein or cell line from this        results to similar
screen?                               screens, docking of             A Grid of Grids linking
                                      compounds into proteins
                                      to correlate binding, with      collections of services
                                      activity, literature search     at
Compound data submitted               of active compounds,            PubChem
to PubChem                            etc
                                                                      ECCR centers
        PROCESS                   CHEMINFORMATICS                     MLSCN centers 14
                                                                            GRIDS
People and Cyberinfrastructure: Web 2.0
   Web 2.0 has tools (sites) and technologies
     • Technologies (later) are “competition” for Grids and Web
        Services
     • Sites (below) are the best way to integrate people into
        Cyberinfrastructure
   Kazaa, Instant Messengers, Skype, Napster, BitTorrent for P2P
    Collaboration – text, audio-video conferencing, files
   del.icio.us, Connotea, Citeulike, Bibsonomy, Biolicious manage
    shared bookmarks
   MySpace, YouTube, Bebo, Hotornot, Facebook, or similar sites
    allow you to create (upload) community resources and share
    them; Friendster, LinkedIn create networks
    • http://en.wikipedia.org/wiki/List_of_social_networking_websites
   Writely, Wikis and Blogs are powerful specialized shared
    document systems
   Google Scholar and Windows Live Academic Search tells you who
    has cited your papers while publisher sites tell you about co-
    authors
                                                                        15
“Best Web 2.0 Sites” -- 2006
   Extracted from http://web2.wsj2.com/
   Social Networking

   Start Pages

   Social Bookmarking

   Peer Production News

   Social Media Sharing

   Online Storage
    (Computing)
                                           16
Web 2.0 Systems are Portals, Services, Resources
   Captures the incredible development of interactive
    Web sites enabling people to create and collaborate




                                                          17

     Web 2.0 clearly defined protocols (SOAP) and aI well
    Web Services have
                      and Web Services
    defined mechanism (WSDL) to define service interfaces
    • There is good .NET and Java support
    • The so-called WS-* specifications provide a rich sophisticated but
      complicated standard set of capabilities for security, fault tolerance, meta-
      data, discovery, notification etc.
   “Narrow Grids” build on Web Services and provide a robust
    managed environment with growing adoption in Enterprise
    systems and distributed science (so called e-Science)
   Web 2.0 supports a similar architecture to Web services but has
    developed in a more chaotic but remarkably successful fashion
    with a service architecture with a variety of protocols including
    those of Web and Grid services
    • Over 500 Interfaces defined at http://www.programmableweb.com/apis
   Web 2.0 also has many well known capabilities with Google
    Maps and Amazon Compute/Storage services of clear general
    relevance
   There are also Web 2.0 services supporting novel collaboration
    modes and user interaction with the web as seen in social
    networking sites, portals, MySpace, YouTube,                  18
Web 2.0 and Web Services II
   I once thought Web Services were inevitable but this is
    no longer clear to me
   Web services are complicated, slow and non functional
     • WS-Security is unnecessarily slow and pedantic
       (canonicalization of XML)
     • WS-RM (Reliable Messaging) seems to have poor
       adoption and doesn’t work well in collaboration
     • WSDM (distributed management) specifies a lot
   There are de facto standards like Google Maps and
    powerful suppliers like Google which “define the rules”
   One can easily combine SOAP (Web Service) based
    services/systems with HTTP messages but the “lowest
    common denominator” suggests additional
    structure/complexity of SOAP will not easily survive  19
Applications, Infrastructure,
               Technologies
   The discussion is confused by inconsistent use of terminology –
    this is what I mean
   Multicore, Narrow and Broad Grids and Web 2.0 (Enterprise
    2.0) are technologies
   These technologies combine and compete to build infrastructures
    termed e-infrastructure or Cyberinfrastructure
    • Although multicore can and will support “standalone” clients probably
      most important client and server applications of the future will be internet
      enhanced/enabled so key aspect of multicore is its role and integration in
      e-infrastructure
   e-moreorlessanything is an emerging application area of broad
    importance that is hosted on the infrastructures e-infrastructure
    or Cyberinfrastructure

                                                                               20
Some Web 2.0 Activities at IU
   Use of Blogs, RSS feeds, Wikis etc.
   Use of Mashups for Cheminformatics Grid workflows
   Moving from Portlets to Gadgets in portals (or at least
    supporting both)
   Use of Connotea to produce tagged document
    collections such as http://www.connotea.org/user/crmc
    for parallel computing
   Semantic Research Grid integrates multiple tagging
    and search systems and copes with overlapping
    inconsistent annotations
   MSI-CIEC portal augments Connotea to tag a mix of
    URL and URI’s e.g. NSF TeraGrid use, PI’s and
    Proposals
    • Hopes to support collaboration (for Minority Serving
      Institution faculty)
                                                              21
Use blog to
                     create posts.




Display blog RSS
feed in MediaWiki.
                                     22
Semantic Research Grid (SRG) Architecture




 10/22/07
                                       23   23
MSI-CIEC Portal




                               MSI-CIEC
Minority Serving Institution CyberInfrastructure Empowerment Coalition
                                                                         24
Mashups v Workflow?
   Mashup Tools are reviewed at
    http://blogs.zdnet.com/Hinchcliffe/?p=63
   Workflow Tools are reviewed by Gannon and Fox
    http://grids.ucs.indiana.edu/ptliupages/publications/Workflow-overview.pdf
   Both include scripting
    in PHP, Python, sh etc.
    as both implement
    distributed
    programming at level
    of services
   Mashups use all types
    of service interfaces
    and perhaps do not
    have the potential
    robustness (security) of
    Grid service approach
   Mashups typically
    “pure” HTTP (REST)
                                                                             25
Grid Workflow Datamining in Earth Science
                       Work with Scripps Institute
        NASA GPS       Grid services controlled by workflow process real time
                        data from ~70 GPS Sensors in Southern California

                                Earthquake




  Streaming Data
      Support
                                                              Archival


 Transformations
  Data Checking



  Hidden Markov
 Datamining (JPL)
                                                                 Real Time


  Display (GIS)                                                              26
Grid Workflow Data Assimilation in Earth Science
    Grid services triggered by abnormal events and controlled by workflow process real
     time data from radar and high resolution simulations for tornado forecasts
      Typical
      graphical
      interface to
      service
      composition




                                                                                      27
Web 2.0 uses all types of Services
   Here a Gadget Mashup uses a 3 service workflow with
    a JavaScript Gadget Client




                                                          28
Web 2.0 Mashups
       and APIs
   http://www.programmable
    web.com/apis has (Sept 12
    2007) 2312 Mashups and
    511 Web 2.0 APIs and with
    GoogleMaps the most often
    used in Mashups
   The Web 2.0 UDDI (service
    registry)




                                29
The List of Web
   2.0 API’s
   Each site has API and
    its features
   Divided into broad
    categories
   Only a few used a lot
    (49 API’s used in 10
    or more mashups)
   RSS feed of new APIs
   Amazon S3 growing
    in popularity

                            30
Grid-style portal as used in Earthquake Grid
                          The Portal is built from portlets
                            – providing user interface
                            fragments for each service
                            that are composed into the
                            full interface – uses OGCE
                            technology as does planetary
                            science VLAB portal with
                            University of Minnesota




                                  Now to Portals
                                                         31
Note the many competitions powering Web 2.0

         Portlets v. Google Gadgets
Mashup Development



   Portals for Grid Systems are built using portlets with
    software like GridSphere integrating these on the
    server-side into a single web-page
   Google (at least) offers the Google sidebar and Google
    home page which support Web 2.0 services and do not
    use a server side aggregator
   Google is more user friendly!
   The many Web 2.0 competitions is an interesting model
    for promoting development in the world-wide
    distributed collection of Web 2.0 developers
   I guess Web 2.0 model will win!
                                                        32
Typical Google Gadget Structure
Google Gadgets are an example of
Start Page technology
See http://blogs.zdnet.com/Hinchcliffe/?p=8




    … Lots of HTML and JavaScript </Content> </Module>
    Portlets build User Interfaces by combining fragments in a standalone Java Server
    Google Gadgets build User Interfaces by combining fragments with JavaScript on the client
Web 2.0 v Narrow Grid I
   Web 2.0 and Grids are addressing a similar application class
    although Web 2.0 has focused on user interactions
     • So technology has similar requirements
   Web 2.0 chooses simplicity (REST rather than SOAP) to lower
    barrier to everyone participating
   Web 2.0 and Parallel Computing tend to use traditional (possibly
    visual) (scripting) languages for equivalent of workflow whereas
    Grids use visual interface backend recorded in BPEL
   Web 2.0 and Grids both use SOA Service Oriented Architectures
   “System of Systems”: Grids and Web 2.0 are likely to build
    systems hierarchically out of smaller systems
     • We need to support Grids of Grids, Webs of Grids, Grids of
       Services etc. i.e. systems of systems of all sorts
                                                                  34
Web 2.0 v Narrow Grid II
   Web 2.0 has a set of major services like GoogleMaps or Flickr
    but the world is composing Mashups that make new composite
    services
    • End-point standards are set by end-point owners
    • Many different protocols covering a variety of de-facto standards
   Narrow Grids have a set of major software systems like Condor
    and Globus and a different world is extending with custom
    services and linking with workflow
   Popular Web 2.0 technologies are PHP, JavaScript, JSON,
    AJAX and REST with “Start Page” e.g. (Google Gadgets)
    interfaces
   Popular Narrow Grid technologies are Apache Axis, BPEL
    WSDL and SOAP with portlet interfaces
   Robustness of Grids demanded by the Enterprise?
   Not so clear that Web 2.0 won’t eventually dominate other
    application areas and with Enterprise 2.0 it’s invading Grids
                                 The world does itself in large numbers!
Web 2.0 v Narrow Grid III
   Narrow Grids have a strong emphasis on standards and
    structure; Web 2.0 lets a 1000 flowers (protocols) and a million
    developers bloom and focuses on functionality, broad usability
    and simplicity
     • Semantic Web/Grid has structure to allow reasoning
     • Annotation in sites like del.icio.us and uploading to
       MySpace/YouTube is unstructured and free text search
       replaces structured ontologies
   Portals are likely to feature both Web and “desktop client” technology
    although it is possible that Web approach will be adopted more or less
    uniformly
   Web 2.0 has a very active portal activity which has similar architecture to
    Grids
     • A page has multiple user interface fragments
   Web 2.0 user interface integration is typically Client side using Gadgets
    AJAX and JavaScript while
     • Grids are in a special JSR168 portal server side using Portlets WSRP and
        Java                                                                    36
The Ten areas covered by the 60 core WS-*
                        Specifications
WS-* Specification Area           Typical Grid/Web Service Examples
1: Core Service Model             XML, WSDL, SOAP
2: Service Internet               WS-Addressing, WS-MessageDelivery; Reliable
                                  Messaging WSRM; Efficient Messaging MOTM
3: Notification                   WS-Notification, WS-Eventing (Publish-
                                  Subscribe)
4: Workflow and Transactions      BPEL, WS-Choreography, WS-Coordination
5: Security                       WS-Security, WS-Trust, WS-Federation, SAML,
                                  WS-SecureConversation
6: Service Discovery              UDDI, WS-Discovery
7: System Metadata and State      WSRF, WS-MetadataExchange, WS-Context
8: Management                     WSDM, WS-Management, WS-Transfer
9: Policy and Agreements          WS-Policy, WS-Agreement
10: Portals and User Interfaces   WSRP (Remote Portlets)
                                                                            37
WS-* Areas and Web 2.0
WS-* Specification Area        Web 2.0 Approach
1: Core Service Model          XML becomes optional but still useful
                               SOAP becomes JSON RSS ATOM
                               WSDL becomes REST with API as GET PUT etc.
                               Axis becomes XmlHttpRequest
2: Service Internet            No special QoS. Use JMS or equivalent?
3: Notification                Hard with HTTP without polling– JMS perhaps?
4: Workflow and Transactions   Mashups, Google MapReduce
(no Transactions in Web 2.0)   Scripting with PHP JavaScript ….
5: Security                    SSL, HTTP Authentication/Authorization,
                               OpenID is Web 2.0 Single Sign on
6: Service Discovery           http://www.programmableweb.com
7: System Metadata and State   Processed by application – no system state –
                               Microformats are a universal metadata approach
8: Management==Interaction     WS-Transfer style Protocols GET PUT etc.
9: Policy and Agreements       Service dependent. Processed by application
10: Portals and User Interfaces Start Pages, AJAX and Widgets(Netvibes) Gadgets
                                                                             38
Too much Computing?
   Historically one has tried to increase computing capabilities by
    • Optimizing performance of codes
    • Exploiting all possible CPU’s such as Graphics co-processors and “idle
      cycles”
    • Making central computers available such as NSF/DoE/DoD
      supercomputer networks
   Next Crisis in technology area will be the opposite problem –
    commodity chips will be 32-128way parallel in 5 years time and
    we currently have no idea how to use them – especially on clients
    • Only 2 releases of standard software (e.g. Office) in this time span
   Gaming and Generalized decision support (data mining) are two
    obvious ways of using these cycles
    • Intel RMS analysis
    • Note even cell phones will be multicore
   There is “Too much data” as well as “Too much computing” but
    unclear implications                                       39
Intel’s Projection




                     40
RMS: Recognition Mining Synthesis
Recognition                  Mining                          Synthesis
What is …?                    Is it …?                         What if …?


                         Find a model                      Create a model
  Model
                           instance                           instance


                              Today
 Model-less        Real-time streaming and                 Very limited realism
                        transactions on
                  static – structured datasets


                          Tomorrow
 Model-based        Real-time analytics on                 Photo-realism and
 multimodal         dynamic, unstructured,                  physics-based
 recognition         multimodal datasets                      animation




               Pradeep K. Dubey, pradeep.dubey@intel.com                          41
Recognition                                            Mining                             Synthesis




          What is a tumor?                              Is there a tumor here?                 What if the tumor progresses?


                It is all about dealing efficiently with complex multimodal datasets

Images courtesy: http://splweb.bwh.harvard.edu:8000/pages/images_movies.html


                                                   Pradeep K. Dubey, pradeep.dubey@intel.com                              42
Intel’s Application Stack   43
Multicore SALSA at IU
   Service Aggregated Linked Sequential Activities
    • http://www.infomall.org/multicore
   Aims to link parallel and distributed (Grid) computing
    by developing parallel applications as services and not
    as programs or libraries
    • Improve traditionally poor parallel programming
      development environments
   Can use messaging to link parallel and Grid services
    but performance – functionality tradeoffs different
    • Parallelism needs few µs latency for message latency and
      thread spawning
    • Network overheads in Grid 10-100’s µs
   Developing Service (library) of multicore parallel data
    mining algorithms                                            44
Microsoft CCR for Parallelism
• Use Microsoft CCR/DSS where DSS is mash-up/workflow service
  model built from CCR and CCR supports MPI or Dynamic threads
• CCR Supports exchange of messages between threads using named
  ports
• FromHandler: Spawn threads without reading ports
• Receive: Each handler reads one item from a single port
• MultipleItemReceive: Each handler reads a prescribed number of
  items of a given type from a given port. Note items in a port can be
  general structures but all must have same type.
• MultiplePortReceive: Each handler reads a one item of a given type
  from multiple ports.
• JoinedReceive: Each handler reads one item from each of two ports.
  The items can be of different type.
• Choice: Execute a choice of two or more port-handler pairings
• Interleave: Consists of a set of arbiters (port -- handler pairs) of 3
  types that are Concurrent, Exclusive or Teardown (called at end for
  clean up). Concurrent arbiters are run concurrently but exclusive
  handlers are
• http://msdn.microsoft.com/robotics/
                                                                       45
DSS quot;Getquot; (loop 1 to 10000; two services on one node)


                                  350

                                  300
                                                         DSS Service Measurements
Average run time (microseconds)




                                  250

                                  200

                                  150

                                  100

                                   50

                                    0
                                        1                10               100               1000                 10000

    Timing of HP Opteron Multicore as aRound tripsnumber of simultaneous two-
                                        function of
         way service messages processed (November 2006 DSS Release)
                                 Measurements of Axis 2 shows about 500 microseconds – DSS is 10 times better
                                                                                                                    46
                                                                                                                    46
MPI Exchange Latency in µs (20-30 µs computation between messaging)
      Machine              OS        Runtime       Grains    Parallelism   MPI Exchange
                                                                               Latency
    Intel8c:gf12          Redhat   MPJE (Java)    Process        8             181
(8 core 2.33 Ghz)
                                   MPICH2 (C)     Process        8             40.0
(in 2 chips)
                                   MPICH2: Fast   Process        8             39.3
                                     Nemesis      Process        8             4.21
    Intel8c:gf20          Fedora      MPJE        Process        8             157
(8 core 2.33 Ghz)                    mpiJava      Process        8             111
                                     MPICH2       Process        8             64.2
      Intel8b             Vista       MPJE        Process        8             170
(8 core 2.66 Ghz)         Fedora      MPJE        Process        8             142
                          Fedora     mpiJava      Process        8             100
                          Vista     CCR (C#)      Thread         8             20.2
      AMD4                 XP         MPJE        Process        4             185
(4 core 2.19 Ghz)         Redhat      MPJE        Process        4             152
                                     mpiJava      Process        4             99.4
                                     MPICH2       Process        4             39.3
                           XP         CCR         Thread         4             16.3
Intel4 (4 core 2.8 Ghz)    XP         CCR         Thread         4             25.8   47
Clustering algorithm annealing by decreasing distance scale and gradually finds more
clusters as resolution improved
Here we see 10 increasing to 30 as algorithm progresses
                                                                                       48
Parallel Multicore Clustering
                       (C# on Windows)
0.45                Parallel Overhead
                                                                              10 Clusters
           on 8 Threads running on Intel 8 core
 0.4
               Speedup = 8/(1+Overhead)          Overhead = Constant1 + Constant2/n
0.35
                                    Constant1 = 0.05 to 0.1 (Client Windows) due to thread
 0.3                                                 runtime fluctuations

0.25

                                                                               20 Clusters
 0.2


0.15


 0.1


0.05

                                             10000/(Grain Size n = points per core)
   0
                                        PC07Intro gcf@indiana.edu                            49
       0         0.5      1       1.5        2        2.5           3   3.5         4
We use DSS as Service Framework as Integrated
     with CCR Supporting MPI/Threading




                                                50
Intel 8-core C# with 80 Clusters: Vista Run
                      Time Fluctuations for Clustering Kernel
              • 2 Quadcore Processors
              • This is average of standard deviation vs #thread)time of the 8 threads
                                   80 Cluster(ratio of std to time of run
                between messaging synchronization points
              0.1

                        Standard Deviation/Run Time


                               10,000 Datpts

                               50,000 Datapts
std / time




             0.05
                               500,000 Datapts




                                                                                 Number of Threads
                0                                    PC07Intro gcf@indiana.edu                   51
                    0           1                2    3          4           5    6         7         8
                                                               thread
Intel 8 core with 80 Clusters: Redhat Run
         Time Fluctuations for Clustering Kernel
• This is average of standard deviation of run time of the
                       80 Cluster(ratio of std to time vs #thread)
  8 threads between messaging synchronization points
0.006

            Standard Deviation/Run Time



0.004


                                          10,000 Datapts

                                          50,000 Datapts
0.002
                                          500,000 Datapts




                                      PC07Intro gcf@indiana.edu   Number of Threads52
    0
        1            2          3                 4         5     6          7          8
What should one do?
   i.e. How does one Cyberinfrastructure enable a given area/application XYZ
   As computing free, focus on identifying data/information/knowledge/wisdom
    needed (there is probably too much data but not so much wisdom in DIKW
    pipeline)
     • Should we care just about “original data” or also about the whole pipeline DIKW?
   Scope out supercomputer/computer services needed and exploit OGF
    standards
   Identify services (filters, often data mining) needed by XYZ?
     • Will we need parallel implementations of filters – if so use multicore compatible
       frameworks
   Identify standards for application XYZ
   Set up distributed XYZ Services
   Use Web 2.0 (as it makes things easier) not current Grids (which makes
    things harder)
     • Build a “Programmable XYZ Web”’
     • Emphasize Simplicity
     • Is “Secrecy” important and in fact viable? Often important but hard
   What are synergies of XYZ to pervasive capabilities such as Web 2.0 sites,
    National resources like TeraGrid, and “Personal aides in an information rich
    world” (future of PC) ?                                                     53

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Cyberinfrastructure Technologies and Applications

  • 1. Cyberinfrastructure Technologies and Applications Summit on Cyberinfrastructure: Innovation At Work Banff Springs Hotel Banff Canada October 11 2007 Geoffrey Fox Computer Science, Informatics, Physics Pervasive Technology Laboratories Indiana University Bloomington IN 47401 http://grids.ucs.indiana.edu/ptliupages/presentations/ gcf@indiana.edu http://www.infomall.org 1
  • 2. e-moreorlessanything  ‘e-Science is about global collaboration in key areas of science, and the next generation of infrastructure that will enable it.’ from its inventor John Taylor Director General of Research Councils UK, Office of Science and Technology  e-Science is about developing tools and technologies that allow scientists to do ‘faster, better or different’ research  Similarly e-Business captures an emerging view of corporations as dynamic virtual organizations linking employees, customers and stakeholders across the world.  This generalizes to e-moreorlessanything including presumably e- AlbertaEnterprise and e-oilandgas, e-geoscience ….  A deluge of data of unprecedented and inevitable size must be managed and understood.  People (see Web 2.0), computers, data (including sensors and instruments) must be linked.  On demand assignment of experts, computers, networks and storage resources must be supported 2
  • 3. What is Cyberinfrastructure  Cyberinfrastructure is (from NSF) infrastructure that supports distributed science (e-Science)– data, people, computers • Clearly core concept more general than Science  Exploits Internet technology (Web2.0) adding (via Grid technology) management, security, supercomputers etc.  It has two aspects: parallel – low latency (microseconds) between nodes and distributed – highish latency (milliseconds) between nodes  Parallel needed to get high performance on individual large simulations, data analysis etc.; must decompose problem  Distributed aspect integrates already distinct components – especially natural for data  Cyberinfrastructure is in general a distributed collection of parallel systems  Cyberinfrastructure is made of services (originally Web services) that are “just” programs or data sources packaged for distributed access 3
  • 4. Underpinnings of Cyberinfrastructure  Distributed software systems are being “revolutionized” by developments from e-commerce, e-Science and the consumer Internet. There is rapid progress in technology families termed “Web services”, “Grids” and “Web 2.0”  The emerging distributed system picture is of distributed services with advertised interfaces but opaque implementations communicating by streams of messages over a variety of protocols • Complete systems are built by combining either services or predefined/pre-existing collections of services together to achieve new capabilities  As well as Internet/Communication revolutions (distributed systems), multicore chips will likely be hugely important (parallel systems)  Industry not academia is leading innovation in these technologies 4
  • 5. Service or Web Service Approach  One uses GML, CML etc. to define the data structure in a system and one uses services to capture “methods” or “programs”  In eScience, important services fall in three classes • Simulations • Data access, storage, federation, discovery • Filters for data mining and manipulation  Services could use something like WSDL (Web Service Definition Language) to define interoperable interfaces but Web 2.0 follows old library practice: one just specifies interface  Service Interface (WSDL) establishes a “contract” independent of implementation between two services or a service and a client  Services should be loosely coupled which normally means they are coarse grain  Services will be composed (linked together) by mashups (typically scripts) or workflow (often XML – BPEL)  Software Engineering and Interoperability/Standards are closely related 5
  • 6. TeraGrid resources include more than 250 teraflops of computing capability and more than 30 petabytes of online and archival data storage, with rapid access and retrieval over high-performance networks. TeraGrid is coordinated at the University of Chicago, working with the Resource Provider sites: Indiana University, Oak Ridge National Laboratory, National Center for Supercomputing Applications, Pittsburgh Supercomputing Center, Purdue University, San Diego Supercomputer Center, Texas Advanced Computing Center, University of Chicago/Argonne National Laboratory, and the National Center for Atmospheric Research. Grid Infrastructure Group (UChicago) UW UC/ANL PSC NCAR PU NCSA IU UNC/RENCI Caltech ORNL USC/ISI SDSC TACC Resource Provider (RP) Software Integration Partner Computing and Cyberinfrastructure: TeraGrid
  • 7. Data and Cyberinfrastructure  DIKW: Data  Information  Knowledge  Wisdom transformation  Applies to e-Science, Distributed Business Enterprise (including outsourcing), Military Command and Control and general decision support  (SOAP or just RSS) messages transport information expressed in a semantically rich fashion between sources and services that enhance and transform information so that complete system provides • Semantic Web technologies like RDF and OWL might help us to have rich expressivity but they might be too complicated  We are meant to build application specific information management/transformation systems for each domain • Each domain has Specific Services/Standards (for API’s and Information such as KML and GML for Geographical Information Systems) • and will use Generic Services (like R for datamining) and • Generic Standards (such as RDF, WSDL)  Standards made before consensus or not observant of technology progress are dubious 7
  • 8. Information andInformation  Knowledge Raw Data  Data  Cyberinfrastructure Wisdom Another Decisions Grid Another S S S S Grid SS S S S FS FS S OS MD In te SS MD r- Se Po FS OS OS FS OS rv rt ic al OS e SS FS M FS es Another FS FS sa FS g Service SS MD MD es OS MD OS SS FS OS Other FS FS FS Service MD FS SS OS OS OS FS FS MD FS MD SS FS Filter Service OS Another FS FS FS FS MetaData Grid MD SS S S S S S S S S S Sensor Service S S S S S S S S S SS Another 8 Database Service
  • 9. Information Cyberinfrastructure Architecture  The Party Line approach to Information Infrastructure is clear – one creates a Cyberinfrastructure consisting of distributed services accessed by portals/gadgets/gateways/RSS feeds  Services include: • Computing • “original data” • Transformations or filters implementing DIKW (Data Information Knowledge Wisdom) pipeline • Final “Decision Support” step converting wisdom into action • Generic services such as security, profiles etc.  Some filters could correspond to large simulations  Infrastructure will be set up as a System of Systems (Grids of Grids) • Services and/or Grids just accept some form of DIKW and produce another form of DIKW • “Original data” has no explicit input; just output 9
  • 10. Virtual Observatory Astronomy Grid Integrate Experiments Radio Far-Infrared Visible Dust Map Visible + X-ray Galaxy Density Map 10
  • 11. 11 CYBERINFRASTRUCTURE CENTER FOR POLAR SCIENCE (CICPS)
  • 12. CReSIS PolarGrid • Important CReSIS-specific Cyberinfrastructure components include – Managed data from sensors and satellites – Data analysis such as SAR processing – possibly with parallel algorithms – Electromagnetic simulations (currently commercial codes) to design instrument antennas – 3D simulations of ice-sheets (glaciers) with non-uniform meshes – GIS Geographical Information Systems • Also need capabilities present in many Grids – Portal i.e. Science Gateway – Submitting multiple sequential or parallel jobs • The need for three distinct types of components: Continental USA with multiple base and field camps – Base and field camps must be power efficient 12 – Terrible connectivity from base and field camps to Continental subGrid
  • 13. CICC Chemical Informatics and Cyberinfrastructure Collaboratory Web Service Infrastructure Cheminformatics Services Statistics Services Database Services Core functionality Computation functionality 3D structures by Fingerprints Regression CID Similarity Classification SMARTS Descriptors Clustering 3D Similarity 2D diagrams Sampling distributions File format conversion Docking scores/poses by Applications Applications CID Docking Predictive models SMARTS Filtering Feature selection Protein Druglikeness 2D plots Docking scores Toxicity predictions Arbitrary R code (PkCell) Mutagenecity predictions Anti-cancer activity predictions PubChem related data by Pharmacokinetic parameters CID, SMARTS OSCAR Document Analysis InChI Generation/Search Varuna.net Computational Chemistry (Gamess, Jaguar etc.) Quantum Chemistry Core Grid Services Portal Services Service Registry RSS Feeds Job Submission and Management User Profiles Local Clusters Collaboration as in Sakai IU Big Red, TeraGrid, Open Science Grid
  • 14. Process Chemistry-Biology Interaction Data from HTS (High Throughput Screening) Percent Inhibition Scientists at IU prefer Web 2.0 to or IC50 data is retrieved from HTS Grid/Web Service for workflow Workflows encoding Grids can link data Question: Was this plate & control well analysis ( e.g image statistics, distribution processing developed screen successful? analysis, etc in existing Grids), traditional Chem- Workflows encoding informatics tools, as Question: What should the active/inactive cutoffs be? distribution analysis of well as annotation screening results tools (Semantic Web, del.icio.us) and Question: What can we Workflows encoding enhance lead ID and learn about the target statistical comparison of SAR analysis protein or cell line from this results to similar screen? screens, docking of A Grid of Grids linking compounds into proteins to correlate binding, with collections of services activity, literature search at Compound data submitted of active compounds, PubChem to PubChem etc ECCR centers PROCESS CHEMINFORMATICS MLSCN centers 14 GRIDS
  • 15. People and Cyberinfrastructure: Web 2.0  Web 2.0 has tools (sites) and technologies • Technologies (later) are “competition” for Grids and Web Services • Sites (below) are the best way to integrate people into Cyberinfrastructure  Kazaa, Instant Messengers, Skype, Napster, BitTorrent for P2P Collaboration – text, audio-video conferencing, files  del.icio.us, Connotea, Citeulike, Bibsonomy, Biolicious manage shared bookmarks  MySpace, YouTube, Bebo, Hotornot, Facebook, or similar sites allow you to create (upload) community resources and share them; Friendster, LinkedIn create networks • http://en.wikipedia.org/wiki/List_of_social_networking_websites  Writely, Wikis and Blogs are powerful specialized shared document systems  Google Scholar and Windows Live Academic Search tells you who has cited your papers while publisher sites tell you about co- authors 15
  • 16. “Best Web 2.0 Sites” -- 2006  Extracted from http://web2.wsj2.com/  Social Networking  Start Pages  Social Bookmarking  Peer Production News  Social Media Sharing  Online Storage (Computing) 16
  • 17. Web 2.0 Systems are Portals, Services, Resources  Captures the incredible development of interactive Web sites enabling people to create and collaborate 17
  • 18. Web 2.0 clearly defined protocols (SOAP) and aI well Web Services have and Web Services defined mechanism (WSDL) to define service interfaces • There is good .NET and Java support • The so-called WS-* specifications provide a rich sophisticated but complicated standard set of capabilities for security, fault tolerance, meta- data, discovery, notification etc.  “Narrow Grids” build on Web Services and provide a robust managed environment with growing adoption in Enterprise systems and distributed science (so called e-Science)  Web 2.0 supports a similar architecture to Web services but has developed in a more chaotic but remarkably successful fashion with a service architecture with a variety of protocols including those of Web and Grid services • Over 500 Interfaces defined at http://www.programmableweb.com/apis  Web 2.0 also has many well known capabilities with Google Maps and Amazon Compute/Storage services of clear general relevance  There are also Web 2.0 services supporting novel collaboration modes and user interaction with the web as seen in social networking sites, portals, MySpace, YouTube, 18
  • 19. Web 2.0 and Web Services II  I once thought Web Services were inevitable but this is no longer clear to me  Web services are complicated, slow and non functional • WS-Security is unnecessarily slow and pedantic (canonicalization of XML) • WS-RM (Reliable Messaging) seems to have poor adoption and doesn’t work well in collaboration • WSDM (distributed management) specifies a lot  There are de facto standards like Google Maps and powerful suppliers like Google which “define the rules”  One can easily combine SOAP (Web Service) based services/systems with HTTP messages but the “lowest common denominator” suggests additional structure/complexity of SOAP will not easily survive 19
  • 20. Applications, Infrastructure, Technologies  The discussion is confused by inconsistent use of terminology – this is what I mean  Multicore, Narrow and Broad Grids and Web 2.0 (Enterprise 2.0) are technologies  These technologies combine and compete to build infrastructures termed e-infrastructure or Cyberinfrastructure • Although multicore can and will support “standalone” clients probably most important client and server applications of the future will be internet enhanced/enabled so key aspect of multicore is its role and integration in e-infrastructure  e-moreorlessanything is an emerging application area of broad importance that is hosted on the infrastructures e-infrastructure or Cyberinfrastructure 20
  • 21. Some Web 2.0 Activities at IU  Use of Blogs, RSS feeds, Wikis etc.  Use of Mashups for Cheminformatics Grid workflows  Moving from Portlets to Gadgets in portals (or at least supporting both)  Use of Connotea to produce tagged document collections such as http://www.connotea.org/user/crmc for parallel computing  Semantic Research Grid integrates multiple tagging and search systems and copes with overlapping inconsistent annotations  MSI-CIEC portal augments Connotea to tag a mix of URL and URI’s e.g. NSF TeraGrid use, PI’s and Proposals • Hopes to support collaboration (for Minority Serving Institution faculty) 21
  • 22. Use blog to create posts. Display blog RSS feed in MediaWiki. 22
  • 23. Semantic Research Grid (SRG) Architecture 10/22/07 23 23
  • 24. MSI-CIEC Portal MSI-CIEC Minority Serving Institution CyberInfrastructure Empowerment Coalition 24
  • 25. Mashups v Workflow?  Mashup Tools are reviewed at http://blogs.zdnet.com/Hinchcliffe/?p=63  Workflow Tools are reviewed by Gannon and Fox http://grids.ucs.indiana.edu/ptliupages/publications/Workflow-overview.pdf  Both include scripting in PHP, Python, sh etc. as both implement distributed programming at level of services  Mashups use all types of service interfaces and perhaps do not have the potential robustness (security) of Grid service approach  Mashups typically “pure” HTTP (REST) 25
  • 26. Grid Workflow Datamining in Earth Science  Work with Scripps Institute NASA GPS  Grid services controlled by workflow process real time data from ~70 GPS Sensors in Southern California Earthquake Streaming Data Support Archival Transformations Data Checking Hidden Markov Datamining (JPL) Real Time Display (GIS) 26
  • 27. Grid Workflow Data Assimilation in Earth Science  Grid services triggered by abnormal events and controlled by workflow process real time data from radar and high resolution simulations for tornado forecasts Typical graphical interface to service composition 27
  • 28. Web 2.0 uses all types of Services  Here a Gadget Mashup uses a 3 service workflow with a JavaScript Gadget Client 28
  • 29. Web 2.0 Mashups and APIs  http://www.programmable web.com/apis has (Sept 12 2007) 2312 Mashups and 511 Web 2.0 APIs and with GoogleMaps the most often used in Mashups  The Web 2.0 UDDI (service registry) 29
  • 30. The List of Web 2.0 API’s  Each site has API and its features  Divided into broad categories  Only a few used a lot (49 API’s used in 10 or more mashups)  RSS feed of new APIs  Amazon S3 growing in popularity 30
  • 31. Grid-style portal as used in Earthquake Grid The Portal is built from portlets – providing user interface fragments for each service that are composed into the full interface – uses OGCE technology as does planetary science VLAB portal with University of Minnesota Now to Portals 31
  • 32. Note the many competitions powering Web 2.0 Portlets v. Google Gadgets Mashup Development  Portals for Grid Systems are built using portlets with software like GridSphere integrating these on the server-side into a single web-page  Google (at least) offers the Google sidebar and Google home page which support Web 2.0 services and do not use a server side aggregator  Google is more user friendly!  The many Web 2.0 competitions is an interesting model for promoting development in the world-wide distributed collection of Web 2.0 developers  I guess Web 2.0 model will win! 32
  • 33. Typical Google Gadget Structure Google Gadgets are an example of Start Page technology See http://blogs.zdnet.com/Hinchcliffe/?p=8  … Lots of HTML and JavaScript </Content> </Module> Portlets build User Interfaces by combining fragments in a standalone Java Server Google Gadgets build User Interfaces by combining fragments with JavaScript on the client
  • 34. Web 2.0 v Narrow Grid I  Web 2.0 and Grids are addressing a similar application class although Web 2.0 has focused on user interactions • So technology has similar requirements  Web 2.0 chooses simplicity (REST rather than SOAP) to lower barrier to everyone participating  Web 2.0 and Parallel Computing tend to use traditional (possibly visual) (scripting) languages for equivalent of workflow whereas Grids use visual interface backend recorded in BPEL  Web 2.0 and Grids both use SOA Service Oriented Architectures  “System of Systems”: Grids and Web 2.0 are likely to build systems hierarchically out of smaller systems • We need to support Grids of Grids, Webs of Grids, Grids of Services etc. i.e. systems of systems of all sorts 34
  • 35. Web 2.0 v Narrow Grid II  Web 2.0 has a set of major services like GoogleMaps or Flickr but the world is composing Mashups that make new composite services • End-point standards are set by end-point owners • Many different protocols covering a variety of de-facto standards  Narrow Grids have a set of major software systems like Condor and Globus and a different world is extending with custom services and linking with workflow  Popular Web 2.0 technologies are PHP, JavaScript, JSON, AJAX and REST with “Start Page” e.g. (Google Gadgets) interfaces  Popular Narrow Grid technologies are Apache Axis, BPEL WSDL and SOAP with portlet interfaces  Robustness of Grids demanded by the Enterprise?  Not so clear that Web 2.0 won’t eventually dominate other application areas and with Enterprise 2.0 it’s invading Grids The world does itself in large numbers!
  • 36. Web 2.0 v Narrow Grid III  Narrow Grids have a strong emphasis on standards and structure; Web 2.0 lets a 1000 flowers (protocols) and a million developers bloom and focuses on functionality, broad usability and simplicity • Semantic Web/Grid has structure to allow reasoning • Annotation in sites like del.icio.us and uploading to MySpace/YouTube is unstructured and free text search replaces structured ontologies  Portals are likely to feature both Web and “desktop client” technology although it is possible that Web approach will be adopted more or less uniformly  Web 2.0 has a very active portal activity which has similar architecture to Grids • A page has multiple user interface fragments  Web 2.0 user interface integration is typically Client side using Gadgets AJAX and JavaScript while • Grids are in a special JSR168 portal server side using Portlets WSRP and Java 36
  • 37. The Ten areas covered by the 60 core WS-* Specifications WS-* Specification Area Typical Grid/Web Service Examples 1: Core Service Model XML, WSDL, SOAP 2: Service Internet WS-Addressing, WS-MessageDelivery; Reliable Messaging WSRM; Efficient Messaging MOTM 3: Notification WS-Notification, WS-Eventing (Publish- Subscribe) 4: Workflow and Transactions BPEL, WS-Choreography, WS-Coordination 5: Security WS-Security, WS-Trust, WS-Federation, SAML, WS-SecureConversation 6: Service Discovery UDDI, WS-Discovery 7: System Metadata and State WSRF, WS-MetadataExchange, WS-Context 8: Management WSDM, WS-Management, WS-Transfer 9: Policy and Agreements WS-Policy, WS-Agreement 10: Portals and User Interfaces WSRP (Remote Portlets) 37
  • 38. WS-* Areas and Web 2.0 WS-* Specification Area Web 2.0 Approach 1: Core Service Model XML becomes optional but still useful SOAP becomes JSON RSS ATOM WSDL becomes REST with API as GET PUT etc. Axis becomes XmlHttpRequest 2: Service Internet No special QoS. Use JMS or equivalent? 3: Notification Hard with HTTP without polling– JMS perhaps? 4: Workflow and Transactions Mashups, Google MapReduce (no Transactions in Web 2.0) Scripting with PHP JavaScript …. 5: Security SSL, HTTP Authentication/Authorization, OpenID is Web 2.0 Single Sign on 6: Service Discovery http://www.programmableweb.com 7: System Metadata and State Processed by application – no system state – Microformats are a universal metadata approach 8: Management==Interaction WS-Transfer style Protocols GET PUT etc. 9: Policy and Agreements Service dependent. Processed by application 10: Portals and User Interfaces Start Pages, AJAX and Widgets(Netvibes) Gadgets 38
  • 39. Too much Computing?  Historically one has tried to increase computing capabilities by • Optimizing performance of codes • Exploiting all possible CPU’s such as Graphics co-processors and “idle cycles” • Making central computers available such as NSF/DoE/DoD supercomputer networks  Next Crisis in technology area will be the opposite problem – commodity chips will be 32-128way parallel in 5 years time and we currently have no idea how to use them – especially on clients • Only 2 releases of standard software (e.g. Office) in this time span  Gaming and Generalized decision support (data mining) are two obvious ways of using these cycles • Intel RMS analysis • Note even cell phones will be multicore  There is “Too much data” as well as “Too much computing” but unclear implications 39
  • 41. RMS: Recognition Mining Synthesis Recognition Mining Synthesis What is …? Is it …? What if …? Find a model Create a model Model instance instance Today Model-less Real-time streaming and Very limited realism transactions on static – structured datasets Tomorrow Model-based Real-time analytics on Photo-realism and multimodal dynamic, unstructured, physics-based recognition multimodal datasets animation Pradeep K. Dubey, pradeep.dubey@intel.com 41
  • 42. Recognition Mining Synthesis What is a tumor? Is there a tumor here? What if the tumor progresses? It is all about dealing efficiently with complex multimodal datasets Images courtesy: http://splweb.bwh.harvard.edu:8000/pages/images_movies.html Pradeep K. Dubey, pradeep.dubey@intel.com 42
  • 44. Multicore SALSA at IU  Service Aggregated Linked Sequential Activities • http://www.infomall.org/multicore  Aims to link parallel and distributed (Grid) computing by developing parallel applications as services and not as programs or libraries • Improve traditionally poor parallel programming development environments  Can use messaging to link parallel and Grid services but performance – functionality tradeoffs different • Parallelism needs few µs latency for message latency and thread spawning • Network overheads in Grid 10-100’s µs  Developing Service (library) of multicore parallel data mining algorithms 44
  • 45. Microsoft CCR for Parallelism • Use Microsoft CCR/DSS where DSS is mash-up/workflow service model built from CCR and CCR supports MPI or Dynamic threads • CCR Supports exchange of messages between threads using named ports • FromHandler: Spawn threads without reading ports • Receive: Each handler reads one item from a single port • MultipleItemReceive: Each handler reads a prescribed number of items of a given type from a given port. Note items in a port can be general structures but all must have same type. • MultiplePortReceive: Each handler reads a one item of a given type from multiple ports. • JoinedReceive: Each handler reads one item from each of two ports. The items can be of different type. • Choice: Execute a choice of two or more port-handler pairings • Interleave: Consists of a set of arbiters (port -- handler pairs) of 3 types that are Concurrent, Exclusive or Teardown (called at end for clean up). Concurrent arbiters are run concurrently but exclusive handlers are • http://msdn.microsoft.com/robotics/ 45
  • 46. DSS quot;Getquot; (loop 1 to 10000; two services on one node) 350 300 DSS Service Measurements Average run time (microseconds) 250 200 150 100 50 0 1 10 100 1000 10000 Timing of HP Opteron Multicore as aRound tripsnumber of simultaneous two- function of way service messages processed (November 2006 DSS Release)  Measurements of Axis 2 shows about 500 microseconds – DSS is 10 times better 46 46
  • 47. MPI Exchange Latency in µs (20-30 µs computation between messaging) Machine OS Runtime Grains Parallelism MPI Exchange Latency Intel8c:gf12 Redhat MPJE (Java) Process 8 181 (8 core 2.33 Ghz) MPICH2 (C) Process 8 40.0 (in 2 chips) MPICH2: Fast Process 8 39.3 Nemesis Process 8 4.21 Intel8c:gf20 Fedora MPJE Process 8 157 (8 core 2.33 Ghz) mpiJava Process 8 111 MPICH2 Process 8 64.2 Intel8b Vista MPJE Process 8 170 (8 core 2.66 Ghz) Fedora MPJE Process 8 142 Fedora mpiJava Process 8 100 Vista CCR (C#) Thread 8 20.2 AMD4 XP MPJE Process 4 185 (4 core 2.19 Ghz) Redhat MPJE Process 4 152 mpiJava Process 4 99.4 MPICH2 Process 4 39.3 XP CCR Thread 4 16.3 Intel4 (4 core 2.8 Ghz) XP CCR Thread 4 25.8 47
  • 48. Clustering algorithm annealing by decreasing distance scale and gradually finds more clusters as resolution improved Here we see 10 increasing to 30 as algorithm progresses 48
  • 49. Parallel Multicore Clustering (C# on Windows) 0.45 Parallel Overhead 10 Clusters on 8 Threads running on Intel 8 core 0.4 Speedup = 8/(1+Overhead) Overhead = Constant1 + Constant2/n 0.35 Constant1 = 0.05 to 0.1 (Client Windows) due to thread 0.3 runtime fluctuations 0.25 20 Clusters 0.2 0.15 0.1 0.05 10000/(Grain Size n = points per core) 0 PC07Intro gcf@indiana.edu 49 0 0.5 1 1.5 2 2.5 3 3.5 4
  • 50. We use DSS as Service Framework as Integrated with CCR Supporting MPI/Threading 50
  • 51. Intel 8-core C# with 80 Clusters: Vista Run Time Fluctuations for Clustering Kernel • 2 Quadcore Processors • This is average of standard deviation vs #thread)time of the 8 threads 80 Cluster(ratio of std to time of run between messaging synchronization points 0.1 Standard Deviation/Run Time 10,000 Datpts 50,000 Datapts std / time 0.05 500,000 Datapts Number of Threads 0 PC07Intro gcf@indiana.edu 51 0 1 2 3 4 5 6 7 8 thread
  • 52. Intel 8 core with 80 Clusters: Redhat Run Time Fluctuations for Clustering Kernel • This is average of standard deviation of run time of the 80 Cluster(ratio of std to time vs #thread) 8 threads between messaging synchronization points 0.006 Standard Deviation/Run Time 0.004 10,000 Datapts 50,000 Datapts 0.002 500,000 Datapts PC07Intro gcf@indiana.edu Number of Threads52 0 1 2 3 4 5 6 7 8
  • 53. What should one do?  i.e. How does one Cyberinfrastructure enable a given area/application XYZ  As computing free, focus on identifying data/information/knowledge/wisdom needed (there is probably too much data but not so much wisdom in DIKW pipeline) • Should we care just about “original data” or also about the whole pipeline DIKW?  Scope out supercomputer/computer services needed and exploit OGF standards  Identify services (filters, often data mining) needed by XYZ? • Will we need parallel implementations of filters – if so use multicore compatible frameworks  Identify standards for application XYZ  Set up distributed XYZ Services  Use Web 2.0 (as it makes things easier) not current Grids (which makes things harder) • Build a “Programmable XYZ Web”’ • Emphasize Simplicity • Is “Secrecy” important and in fact viable? Often important but hard  What are synergies of XYZ to pervasive capabilities such as Web 2.0 sites, National resources like TeraGrid, and “Personal aides in an information rich world” (future of PC) ? 53