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OGF HPC-Basic Profile Application Interoperability Demonstration

OGF HPC-Basic Profile Application Interoperability Demonstration. GIN-CG. Overview. Application Standards Implementations Demo Future. Scientific Application. Plasma Charge Minimization. Undergraduate project

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OGF HPC-Basic Profile Application Interoperability Demonstration

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  1. OGF HPC-Basic Profile Application Interoperability Demonstration GIN-CG

  2. Overview Application Standards Implementations Demo Future

  3. Scientific Application

  4. Plasma Charge Minimization • Undergraduate project • Total system energy minimization of point charges around the surface of a sphere • Three different applications • Pre processing – generate input files • Main processing – parallel distributed processing • Post-processing – choose optimal solution

  5. Participation DEISA – UNICORE, SuSE, AMD 64-bit, 1 core NorduGrid – ARC, Debian Linux, i686, 16 core UK NGS/OMII-UK – GridSAM, Scientific Linux 4.7, AMD 64-bit, 256 core University of Virginia Campus Grid – GENESIS2, Ubuntu Linux, i686, 8 core Platform - BES++ Client

  6. ARC features Thanks to Peter Stefan • Standards compliant WS interfaces. • Modular architecture. • Core components for job execution (AREX), information exchange (ISIS), data storage (Chelonia), and security. • Broad range of supported platforms. • Straightforward user interfaces. • Developer friendliness, supports services in Java, Python and C++. • Supports IPv6.

  7. Job Execution Client and Server The server: • Implements a CE. • Supports BES/JSDL/GLUE2 with ARC extensions. • Conforms to numerous LRMSes. Thanks to Peter Stefan The client: • Modular library + CLI tools. • Allows grid users accessing different middleware operated grid services: gLite CREAM2, Unicore, pre-WS ARC. • Available on MS Windows, MacOS X, Solaris and Linux.

  8. Genesis II – Standards Based Grid Implementation • Users FIRST! • Design the system from the ground up with the overriding mantra that users come first! • Users don’t want to know about grids • Provide a secure, cohesive system in a production system available to users today! • Provide an open source, reference implementation of the OGSA and OGSA-related specifications • Use standards and proto-standards available from the OGF and OGSA to provide feedback into the OGF process on various standards based on implementation experience Genesis II “Open Source, OGSA Implementation” Thanks to Mark Morgan

  9. (Most) everything is a file or directory • Files and directories can be accessed without knowing anything about Grids, Web Services, or anything thanks to FUSE/IFS • FUSE/IFS map the Grid into the file system • BES resources, queues are directories • “ls” to list the jobs, “cat” a job to see its state • “cp” a JSDL file into the directory -> start the job up • A shell script can start jobs by copying • Genesis II containers are directories • “ls” to see the services and porttypes • IDP are files/directories • IS’s are directories • “cp” a query file to IS, creates result • RDBMS’s will be directories • The user can access all of these services without dealing with Web Services!! Genesis II “Open Source, OGSA Implementation” Thanks to Mark Morgan

  10. GridSAM – Use & Characteristics • Currently deployed and used (amongst others): • On UK National Grid Service (NGS) • University College London and Imperial College London (numerous projects) • Open Geospatial Consortium (OGC) • 2 deployments within Chinese automotive industry • Chinese Drug Discovery project • Southampton University • Characteristics: • Easily installed and configured • Client install on Windows, Mac OS X and Linux • Server install on many popular Linux variants • Supports PBS, DRMAA, Sun GridEngine, Condor, Globus, LSF batch systems • Standards-based: HPC Basic Profile v1.0, OGSA-BES v1.0, JSDL v1.0, HPC File Staging Profile (partial) • Supports FTP, SFTP, HTTP, HTTPs, GridFTP, WebDav data protocols • User-focused development and Open Source… Thanks to Steve Crouch

  11. Availability and Future Developments • Availability: • SourceForge gridsam project • With bundled Apache Tomcat/Axis/WSS4j (WS-Security): • OMII-UK Campus Grid Toolkit (CGT) – automated client or server install • OMII-UK Development Kit – heavily assisted client or server installation • Future Developments: • For end-users: • Refactored documentation (with improved OGF standards coverage) • Full support for HPC File Staging Profile across PBS, Condor & Fork DRMs • Full support for JSDL Resource selection across PBS, Condor & Fork DRMs • JSDL Parameter Sweep Extension • Support for SRB and iRODS • For resource owners: • Packaging as standalone, manually configurable web archive (WAR) file • Job submission through multiple remote SSH accounts Thanks to Steve Crouch

  12. Grid driving High Performance Computing (HPC) • UNICORE used in • DEISA (European Distributed Supercomputing Infrastructure) • National German Supercomputing Center NIC • Gauss Center for Supercomputing (Alliance of the three German HPC centers & official National Grid Initiative for Germany in the context of EGI) • SKIF-Grid (Russion-Belarus HPC Infrastructure) • PRACE (European PetaFlop HPC Infrastructure) – starting-up • Traditionally taking up major requirements from i.e. • HPC users (i.e. MPI, OpenMP) • HPC user support teams • HPC operations teams • …and via SourceForge Platform Thanks to Morris Riedel

  13. Guiding Principles, Implementation Strategies Open source under BSD license with software hosted on SourceForge Standards-based: OGSA-conform, WS-RF 1.2 compliant, adoption and driving of various Open Grid Forum (OGF) standards Open, extensible Service-Oriented Architecture (SOA) Interoperable with other Grid technologies Seamless, secure and intuitive following a vertical end-to-end approach Mature Security: X.509, proxy and VO support Workflow support tightly integrated while being extensible for different workflow languages and engines for domain-specific usage Application integration mechanisms on the client, services and resource level Variety of clients: graphical, command-line, API, portal, etc. Quick and simple installation and configuration Support for many operating systems (Windows, MacOS, Linux, UNIX) and batch systems (LoadLeveler, Torque, SLURM, LSF, OpenCCS) Implemented in Java to achieve platform-independence Thanks to Morris Riedel

  14. Local RMS (e.g. Torque, LL, LSF, etc.) Local RMS (e.g. Torque, LL, LSF, etc.) scientific clientsand applications UCCcommand-line client URCEclipse-based Rich client HiLAProgrammingAPI Portal e.g. GridSphere X.509, Proxies, SOAP, WS-RF, WS-I, JSDL web service stack Gateway central services running in WS-RF hosting environments ServiceRegistry WorkflowEngine OGSA-RUS, UR,GLUE 2.0 ServiceOrchestrator CISInfoService Gateway – Site 1 Gateway – Site 2 authentication UNICOREWS-RFhostingenvironment UNICOREWS-RFhostingenvironment OGSA-ByteIO, OGSA-BES, JSDL, HPC-BP, OGSA-RUS, UR UNICORE Atomic Services OGSA-* UNICORE Atomic Services OGSA-* UVOSVO Service Grid services hosting XNJS – Site 1 XNJS – Site 2 IDB IDB job incarnation XACML entity XACML entity X.509, XACML, SAML, Proxies XUUDB XUUDB authorization Target System Interface – Site 1 Target System Interface – Site 2 DRMAA ExternalStorage GridFTP, Proxies USpace USpace data transfer to external storages http://www.unicore.eu Thanks to Morris Riedel

  15. Challenges • Time - 4 days to do core work • Learning curve – middlewares, demo requirements • Impacted many decisions, compromise! • Select best time/benefit approach • Good team coordination, high communication critical • Exploitation of standards support for each middleware probably not complete! • Compatibility of BES++ client and middleware • Client has some limitations – e.g. no delegation support (ARC), no support for full EPRs (Genesis II) • Middleware support for standards and data differs… how to support? • Approach was hybrid of ‘highest common denominator’ of support, and customisation • JSDL – generate middleware-oriented rendering based on template • Data – use what we could get working for each middleware • Support for full EPRs was blocker for Genesis II

  16. Standards/Data Protocols/Security Supported in Demo (at the moment!) • Standards: • HPC Basic Profile v1.0 • OGSA BES (Basic Execution Service) v1.0 • JSDL (Job Submission Description Language) v1.0 • HPC Profile Application Extension v1.0 – ARC, GridSAM • HPC File Staging Profile – UNICORE only • Data protocols: • UNICORE, ARC – ftp • GridSAM – GridFTP • Security: • Direct middleware -> certificate CA trust (just import CAs)

  17. Compute Related Standards Architecture OGSA EMS Scenarios (GFD 106) Use Cases Grid Scheduling Use Cases (GFD 64) Education ISV Primer (GFD 141) Job Definition Agreement WS-Agreement (GFD 107) Programming Interface SAGA (GFD 90) Job Description JSDL (GFD 56/136) Uses Programming Interface DRMAA (GFD 22/133) Accounting Usage Record (GFD 98) Application Description HPC Application (GFD 111) Supports Produces Application Description SPMD Application (GFD 115) Extend Job Management OGSA-BES (GFD 108) Job Parameterization Parameter Sweep (GFD. 149) Information GLUE Schema 2.0 (GFD. 147) Describes Profiles File Transfer HPC File Staging (GFD 135) HPC Domain Specific Profile HPC Basic Profile (GFD 114)

  18. Compute Related Standards Architecture OGSA EMS Scenarios (GFD 106) Use Cases Grid Scheduling Use Cases (GFD 64) Education ISV Primer (GFD 141) Job Definition Agreement WS-Agreement (GFD 107) Programming Interface SAGA (GFD 90) Job Description JSDL (GFD 56/136) Uses Programming Interface DRMAA (GFD 22/133) Accounting Usage Record (GFD 98) Application Description HPC Application (GFD 111) Supports Produces Application Description SPMD Application (GFD 115) Extend Job Management OGSA-BES (GFD 108) Job Parameterization Parameter Sweep (GFD. 149) Information GLUE Schema 2.0 (GFD. 147) Describes Profiles File Transfer HPC File Staging (GFD 135) HPC Domain Specific Profile HPC Basic Profile (GFD 114)

  19. <JobDefinition xmlns="http://schemas.ggf.org/jsdl/2005/11/jsdl"> <JobDescription> <Application> <@APPLICATION_TYPE@ xmlns="@APPLICATION_TYPE_NAMESPACE@"> <Executable>@MINEM_INSTALL_LOCATION@/update_file</Executable> <Argument>input.txt</Argument> <Argument>output.txt</Argument> <Output>stdout.txt</Output> <Error>stderr.txt</Error> @OPTIONAL_WORKING_DIR_ELEMENT@ </@APPLICATION_TYPE@> </Application> <DataStaging> <FileName>input.txt</FileName> <CreationFlag>overwrite</CreationFlag> <Source> <URI>@INPUT_FILE_URI@</URI> </Source> @OPTIONAL_HPCFSP_CREDENTIAL@ </DataStaging> <DataStaging> <FileName>output.txt</FileName> <CreationFlag>overwrite</CreationFlag> <DeleteOnTermination>false</DeleteOnTermination> <Target> <URI>@OUTPUT_FILE_URI@</URI> </Target> @OPTIONAL_HPCFSP_CREDENTIAL@ </DataStaging> JSDL Template <DataStaging> <FileName>stdout.txt</FileName> <CreationFlag>overwrite</CreationFlag> <DeleteOnTermination>false</DeleteOnTermination> <Target> <URI>@STDOUT_FILE_URI@</URI> </Target> @OPTIONAL_HPCFSP_CREDENTIAL@ </DataStaging> <DataStaging> <FileName>stderr.txt</FileName> <CreationFlag>overwrite</CreationFlag> <DeleteOnTermination>false</DeleteOnTermination> <Target> <URI>@STDERR_FILE_URI@</URI> </Target> @OPTIONAL_HPCFSP_CREDENTIAL@ </DataStaging> </JobDescription> @OPTIONAL_MYPROXY_ELEMENT@ </JobDefinition>

  20. How it Fits Together… 1. Create Minem input files Minem UNICORE Minem 1 7 2. Generate JSDLs from template 4 5 2 minem-interop.pl FTP 3. Upload input files 3 4. Submit JSDLs across middlewares 6 MyProxy BES++ Client 5. Monitor jobs until completion GridSAM Minem 6. Download input files 7. Select best result Application GridFTP 8 8. Generate/upload image to web server Client FTP Job Service ARC Minem Data Service Security Service

  21. Future • Support full EPRs for Genesis II • Include CREAM-BES within interop demo • Harmonise standards support across all middlewares • HPC Basic Profile Application Extension (currently supported by GridSAM, ARC) • HPC File Staging Profile (currently supported by UNICORE) • This would need middleware development! • Support for single data protocol across all middlewares? • HPC File Staging Profile only mandates support for one protocol from ftp, http, scp (does not mandate a specific one, or all three) • Issues with each e.g. GridFTP: would need support in Genesis II, production-level support in UNICORE, and delegation support in BES++ client for ARC • Again, middleware development required! • We already know ‘data’ is a next big Grid challenge – protocol support a key part of this challenge

  22. Thanks • Demo development – Steve Crouch, OMII-UK • Core Interop assistance • ARC • Peter Stefan - NorduGrid • Genesis 2 • Mark Morgan - UVa • GridSAM • Justin Bradley – OMII-UK • Richard Boardman – OMII-UK • UNICORE • Shahbaz Memon –Juelich • BES++ • Chris Smith - Platform • Resource provision • Andrew Grimshaw - UVa • Balazs Konya - NorduGrid • Matteo Turilli – UK NGS • Morris Riedel – Juelich

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