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DEISA Supercomputing Grid: Enabling Europe’s Terascale Science

Learn about DEISA, the European supercomputing service integrating powerful systems for scientific discovery across various fields. Discover the objectives, participating sites, technology, and how DEISA enhances HPC services in Europe.

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DEISA Supercomputing Grid: Enabling Europe’s Terascale Science

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  1. UNICORE and the DEISA supercomputing grid Jules Wolfrat wolfrat@sara.nl DEISA UNICORE tutorial

  2. Outline • DEISA overview • UNICORE history • UNICORE architecture • Demo? DEISA UNICORE tutorial

  3. THE DEISA SUPERCOMPUTING GRID AIX distributed super-cluster Vector systems (NEC, …) GEANT Linux systems (SGI, IBM, …) DEISA UNICORE tutorial

  4. DEISA objectives • To enable Europe’s terascale science by the integration of Europe’s most powerful supercomputing systems. • Enabling scientific discovery across a broad spectrum of science and technology is the only criterion for success • DEISA is an European Supercomputing Service built on top of existing national services. This service is based on the deployment and operation of a persistent, production quality, distributed supercomputing environment with continental scope. • The integration of national facilities and services, together with innovative operational models,is expected to add substantial value to existing infrastructures. • Main focus is High Performance Computing (HPC). DEISA UNICORE tutorial

  5. Participating Sites BSC Barcelona Supercomputing Centre Spain CINECA Consortio Interuniversitario per il Calcolo AutomaticoItaly CSC Finnish Information Technology Centre for ScienceFinland EPCC/HPCx University of Edinburgh and CCLRCUK ECMWF European Centre for Medium-Range Weather Forecast UK (int) FZJ Research Centre Juelich Germany HLRS High Performance Computing Centre Stuttgart Germany IDRIS Institut du Développement et des Ressources France en Informatique Scientifique- CNRS LRZ Leibniz Rechenzentrum Munich Germany RZG Rechenzentrum Garching of the Max Planck Society Germany SARA Dutch National High Performance ComputingThe Netherlands and Networking centre DEISA UNICORE tutorial

  6. The DEISA supercomputing environment(21.900 processors and 145 Tf in 2006, more than 190 Tf in 2007) • IBM AIX Super-cluster • FZJ-Julich, 1312 processors, 8,9 teraflops peak • RZG – Garching, 748 processors, 3,8 teraflops peak • IDRIS, 1024 processors, 6.7 teraflops peak • CINECA, 512 processors, 2,6 teraflops peak • CSC, 512 processors, 2,6 teraflops peak • ECMWF, 2 systems of 2276 processors each, 33 teraflops peak • HPCx, 1536 processors, 11 teraflops peak • BSC, IBM PowerPC Linux system (MareNostrum) 4864 processeurs, 40 teraflops peak • SARA, SGI ALTIX Linux system, 416 processors, 2,2 teraflops peak • LRZ, Linux cluster (2.7 teraflops) moving to SGI ALTIX system (5120 processors and 33 teraflops peak in 2006, 70 teraflops peak in 2007) • HLRS, NEC SX8 vector system, 576 processors, 12,7 teraflops peak. • Systems interconnected with dedicated 1Gb/s network – currently upgrading to 10 Gb/s – provided by GEANT and NRENs DEISA UNICORE tutorial

  7. The technology cycle Technology pull Service definitions Technology specifications Technology providers R&D projects Technology watch DEISA strategic and technologic management WAN GPFS (IBM) completed Multi-cluster batch processing (IBM) completed GPFS for non-IBM systems (IBM) ongoing Co-scheduling (Platform) in preparation DEISA UNICORE tutorial

  8. How is DEISA enhancing HPC services in Europe? • Running larger parallel applications in individual sites, by a cooperative reorganization of the global computational workload on the whole infrastructure, or by the operation of the job migration service inside the AIX super-cluster. • Enabling workflow applications with UNICORE (complex applicaions that are pipelined over several computing platforms) • Enabling coupled multiphysics Grid applications (when it makes sense) • Providing a global data management service whose primordial objectives are: • Integrating distributed data with distributed computing platforms • Enabling efficient, high performance access to remote datasets (with Global File Systems and striped GridFTP). We believe that this service is critical for the operation of (possible) future European petascale systems • Integrating hierarchical storage management and databases in the supercomputing Grid. • Deploying portals as a way to hide complex environments to new users communities, and to interoperate with another existing grid infrastructures. DEISA UNICORE tutorial

  9. Basic Services: Global File Systems network nodes HPC system at site A Disk space Globalfile system Sophisticated software environment, necessary to provide single system image if a clustered computing platform. They provide global data management. Data in the GFS is “symmetric” with respect to all computing nodes. DEISA UNICORE tutorial

  10. The DEISA integration concept Site A Site B Global distributed GPFS file system with continental scope. Global resource pool is dynamic: nodes can enter and leave the pool without Disrupting the national services. Network interconnect (Reserved bandwidth) Site C Site D DEISA UNICORE tutorial

  11. DEISA Global File System integration in 2006 (based on IBM’s GPFS) AIX IBM domain Linux SGI SARA (NL) IDRIS (FR) ECMWF (UK) RZG (DE) High Performance Common Global File System various architectures / operating systems High bandwidth (up to 10 Gbit/s) HPC Common Global File System similar architectures / operation systems High bandwidth (10 Gbit/s) LRZ (DE) LRZ (DE) CSC (FI) BSC (ES) LINUX Power-PC CINECA (IT) FZJ (DE) DEISA UNICORE tutorial

  12. BSC (ES) SARA (NL) RZG (G) Global File System Demonstration Demonstration of a transparent data access in a heterogeneousconfiguration • (1) A 64 processor job is running • at SARA (SGI Altix system) • (2) The input data for this run are read from the Linux GPFS at SARA (3) The output data will be written into the BSC GPFS system in Spain ) (4) Visualization at RZG system is reading the output data produced by the application from BSC GPFS DEISA UNICORE tutorial

  13. Amsterdam, NL Jülich, DE Argonne, IL Garching,DE Orsay,FR Bloomington , IN Urbana-Champaign, IL Bologna, IT San Diego, CA Global File System Interoperability demo during Supercomputing Conference 2005 in Seattle American and European supercomputing infrastructures linked: bridging communities with scalable, wide-area global file systems DEISA Sites TeraGrid Sites DEISA UNICORE tutorial

  14. Basic services: workflow simulations using UNICORE UNICORE supports complex simulations that are pipelined over several heterogeneous platforms (workflows). UNICORE handles workflows as a unique job and transparently moves the output – input data along the pipeline. UNICORE clients that monitor the application can run in laptops. UNICORE has a user friendly graphical interface. DEISA has developed a command line interface for UNICORE. UNICORE infrastructure including all sites has full production status. It has proven to be very stable during the last few months. DEISA UNICORE tutorial

  15. Other basic services • Job migrationinside the AIX super-cluster. Based on LoadLeveler Multi-Cluster, it allows system administrators to reroute jobs to other sites, in a way transparent for the end users. Used to move away simple jobs of « implicit users » to make place for a bigger application in a site. Full production status. • Co-allocation. We are starting to prepare a first generation co-allocation service on the full heterogeneous infrastructure, using LSF Multi-cluster. Important for coupled Grid aplications and for data movement. Service in development phase, prototype expected in 6-9 months • Remote I/O using Global File Systems and fast data transfers. See next transparency • Integrating hierarchical data management and databases in the supercomputing Grid. In progress DEISA UNICORE tutorial

  16. Accessing remote data: high performance remote I/O and file transfer Remote I/O with global file systems implicitly moves data across platforms (in production today) DEISA will also deploy explicit high performance data movers, using GridFTP DATA REPOSITORY GridFTP Co-scheduled, parallel data mover tasks DEISA UNICORE tutorial

  17. Summary • DEISA provides an integrated supercomputing environment, with efficient data sharing through high performance global file systems. This is highly transparent to end users. • DEISA enables job migration across sites (also transparent to end users). Exceptional resources for very demanding applications are made available by the operation of the global resource pool. We are load balancing computational workload at a European scale. • Huge, demanding applications can be run “as such”. • Support of Grid applications (which are distributed by design). • With this operational model, the DEISA super-cluster is not very different from a “true” monolithic European supercomputer (which must be partitioned in any case for fault tolerance and QoS). • The main difference comes from the coexistence of several independent administration domains. This requires, as in TeraGrid, coordinated production environments. DEISA UNICORE tutorial

  18. UNICORE UNICORE UNiform Interface to COmputer Resources Following material thanks to UNICORE team DEISA UNICORE tutorial

  19. Highlights • Excellent workflow support • Transparent data staging / transfer • Multi-site, multi-step jobs: heterogeneous meta-computing • Uniform user authentication and security mechanisms • The site maintains full control over their resources • UNICORE Client offers • Uniform GUI for job creation and monitoring • Easy integration of applications through plugins DEISA UNICORE tutorial

  20. History I • Development started in 1997 • Projects UNICORE and UNICORE Plus • Funded by the German Ministry of Education and Research (until 12/2002) DEISA UNICORE tutorial

  21. History II Developments in EC funded projects: • EUROGRID (11/2000 – 01/2004) • IST-1999-20247 • Resource broker, Standard based File Transfer (gridFTP) • Bio molecular simulations, Weather prediction, coupled CAE simulations,Structural analysis • GRIP (01/2002 – 02/2004) • IST-2000-32257 • Interoperability between UNICORE and Globus (Integration of Globus maintained resources as target system in UNICORE) • OpenMolGRID (09/2002 – 11/2004) • IST-2001-37238 • Use UNICORE for molecular engineering • Focus on scientific workflows DEISA UNICORE tutorial

  22. History III • Collaborators: • Intel GmbH (former Pallas GmbH) • Fujitsu Laboratory of Europe (former fecit) • Forschungszentrum Jülich • Deutscher Wetterdienst • Genias, RUS, RUKA, LRZ, PC2, ZHR, ZIB • CNRS-IDRIS (F), CSCS (CH), GIE EADS CCR (F), ICM (PL), Parallab (N), Soton (UK), UoM (UK), ANL (US), UT (EE), UU (UK), ComGenex (HU), Negri (I) DEISA UNICORE tutorial

  23. Features • Intuitive GUI with single sign-on • X.509 certificates for AA and job/data signing • only one opened port in firewall required • workflow engine for • complex multi-site • multi-step workflows • job monitoring • extensible application support • secure data transfer integrated • resource management • easy installation and configuration of client and server components • full control of resources remains • production quality, … DEISA UNICORE tutorial

  24. Software Status I • Current version 5.6 (Client) / 4.6 (Server) • User Client is platform independent (Java) • Servers (Unix) • Target systems (Unix) • “no batch“ • T3E, SP3, VPP, hpcLine, SR 8000, SX-5, PC-Clusters, … , Globus 2.x as targets • NQS, LL, LSF, PBS, CCS, SGE, ... DEISA UNICORE tutorial

  25. Software Status II • UNICORE available at SourceForge as OpenSource under BSD license • http://unicore.sourceforge.net • UNICORE Forum e.V. • http://www.unicore.org • Public test systemfor testing (standard) client functions available DEISA UNICORE tutorial

  26. Deployment • At all project partner sites • DEISA sites (IDRIS, CINECA, RZ Garching, ...) • Naregi project (Japan) • … DEISA UNICORE tutorial

  27. UNICORE Architecture UNICOREClient The UNICORE Grid DEISA UNICORE tutorial

  28. ARCHITECTURE Client SSL Multi-Site Jobs opt. Firewall opt. Firewall Gateway Gateway Authentication Usite Usite opt. Firewall Vsite Vsite Vsite Abstract NJS NJS NJS Authorization Authorization UUDB UUDB IDB IDB IDB Incarnation TSI TSI TSI Non-Abstract RMS Disc RMS Disc RMS Disc DEISA UNICORE tutorial

  29. Client Usites JobPreparation WorkflowManagement JobMonitoring Vsites DEISA UNICORE tutorial

  30. UNICORE Server • Gateway • Network Job Supervisor • Configuration • UNICORE User Data Base • Target System Interface • Demo package containing preconfigured components available onsourceforge.net/projects/unicore DEISA UNICORE tutorial

  31. Server Components conf Gateway conf Network Job Supervisor UUDB UNICORE User DB Target System Interface DEISA UNICORE tutorial

  32. Server Prerequisites • Gateway and NJS: • Java  1.4.2 • X.509 certificates for Gateway and NJS • Signer certificate(s) • TSI: • Perl ( 5.004) DEISA UNICORE tutorial

  33. Gateway • Entry point of a UNICORE Site • Accepts SSL connections from Clients and NJSs • Accepts valid certificates from all signers known to it (authentication) • Talks UNICORE Protocol Layer (UPL) on connections to the outside world • Sends/receives AJOs to/from the NJSs DEISA UNICORE tutorial

  34. Gateway connections conf gateway.propertiesgw.gateway_host_name=<host name> gw.port=<port> Gateway connections<Vsite name> <NJS machine> <NJS port> conf Network Job Supervisor UUDB UNICORE User DB DEISA UNICORE tutorial

  35. Network Job Supervisor (NJS) • UNICORE scheduler • Receives/sends AJOs from/to local Gateway • Translates AJO into batch job for target • Maps the user’s Ulogin to Xlogin • Sends sub-AJOs to corresponding Gateway according to dependencies • Polls for status and output of sub-AJOs • Sends batch jobs and requests to TSI • Polls TSI for job status and output DEISA UNICORE tutorial

  36. NJS Connections conf Gateway connections njs.properties njs.gateway=<host name> njs.vsite_name=<name> njs.gateway_port=<port> njs.admin_port=<port> conf Admin NJS UUDB UNICORE User DB TSI DEISA UNICORE tutorial

  37. Incarnation Data Base Static definitions and translation table, contains definitions for • GENERAL properties (file spaces, descriptions, …) • EXECUTION_TSI (host + ports, resources, batch queues, …) • STORAGE_TSI (for file transfers and management) • RUN (translation rules for target) • IMPORT, EXPORT, CLEANUP, LIST_DIRECTORY, RENAME, COPY_FILE, DELETE_FILE, CHANGE_PERMISSIONS • FORTRAN, LINK DEISA UNICORE tutorial

  38. UNICORE User Data Base • Management of Ulogin – Xlogin mapping information • NJS accesses this information • Basic version allows to map one certificate to exactly one Xlogin • NJS to UUDB interface defined to adapt to site specific user data bases (i.e. ldap) • http://www.unicore.org/downloads.htm  contributions offers an alternative uudb with certificate-projectid pairs being mapped toXlogins DEISA UNICORE tutorial

  39. NJS connections conf Gateway connections njs.properties njs.gateway=<host name> njs.vsite_name=<name> njs.gateway_port=<port> njs.admin_port=<port> conf Admin NJS njs.idb SOURCE <TSI machine> <port1> <port2> UUDB UNICORE User DB TSI DEISA UNICORE tutorial

  40. Target System Interface • Interface to target operating and batch system • Perl scripts and modules • Needs root privileges to act on behalf of the user (uses setreuid) • Provides interface to local system for • Job submission • Status query, job monitoring • File handling • … DEISA UNICORE tutorial

  41. Example: Submit.pm $jobname = $2 if $1 eq "JOBNAME"; $outcome_dir = $2 if $1 eq "OUTCOME_DIR"; $uspace_dir = $2 if $1 eq "USPACE_DIR"; $time = $2 if $1 eq "TIME"; $memory = $2 if $1 eq "MEMORY"; $nodes = $2 if $1 eq "NODES"; … $memory = "-lM $memory"."Mb"; my $command = "$main::submit_cmd $queue $nodes $email $memory $time $jobname $stdout_loc $stderr_loc $Submit::tsi_unique_file_name"; DEISA UNICORE tutorial

  42. TSI connections conf njs.properties NJS njs.idb SOURCE <TSI machine> <port1> <port2> UUDB UNICORE User DB tsi.properties $main::njs_machine = shift || "NJS host"; $main::njs_port = shift || "port1"; $main::my_port = shift || “ port2”; TSI DEISA UNICORE tutorial

  43. Client Plain sockets NJS TSI SSL Gateway SSL orplain socket Client NJS TSI Client Admin njs.admin_port idb: SOURCE host p1 p2+ tsi script gw.port+ Client Usite list njs.gateway_port+ GW connections file Overview: Server connections DEISA UNICORE tutorial

  44. Firewall Issues • Client  Gateway • Internet • Allow connections to Gateway for https protocol on the port the Gateway is listening on • Client side has to allow for outgoing traffic on any port • Gateway  NJS • Intranet • All connections from Gateway to NJS system and NJS’s Gateway port • NJS  TSI • Intranet • All connections from NJS to TSI system and TSI’s NJS port • All connections from TSI to NJS system and NJS’s TSI port DEISA UNICORE tutorial

  45. Current Trends and a look into the UNICORE future... • Web services for interoperability • “open up“ the architecture • ...but keep the UNICORE strenghts • abstraction and virtualisation • workflows • easy application integration DEISA UNICORE tutorial

  46. Usite Site providing UNICORE services Vsite Computing resource, target system Ujob UNICORE Job Ulogin UNICORE Login, X.509 certificate Xlogin Unix Login at Vsite Uspace Temporary file space for Ujob at Vsite Xspace File space at the Vsite Nspace File space on the computer where Client runs Acronyms I DEISA UNICORE tutorial

  47. Acronyms II AJO Abstract Job Object UPL UNICORE Protocol Layer (Client – Gateway) NJS Network Job Supervisor Incarnation Transl. of AJO into batch job using IDB IDB Incarnation Data Base UUDB UNICORE User Data Base TSI Target System Interface JPA Job Preparation Agent, part of Client JMC Job Monitor Controller, part of Client DEISA UNICORE tutorial

  48. meets CSC users SARA users BSC users LRZ users FZJ users CNE users RZG users RZG users IDR users DEISA CSC gateway DMZ DEISA SARA gateway DMZ DEISA BSC gateway DMZ DEISA LRZ gateway DMZ DEISA FZJ gateway DMZ DEISA CNE gateway DMZ DEISA RZG gateway DMZ DEISA IDR gateway DMZ CSC NJS SARA NJS BSC NJS LRZ NJS FZJ NJS CNE NJS RZG NJS IDR NJS intranet intranet intranet intranet intranet intranet intranet intranet DEISA UNICORE tutorial

  49. UNICORE Security • Security model based on X509 public key infrastructure • Credential consists of a public and a private key • No userid and password authentication • Password protected keystore • Single sign on • UNICORE accepts following private key formats: • RSA (pkcs12) • E.g. Openssl 0.9.7x • Java keystore (jks) • SUN Java • Certificates provided e.g. by DFN CA • Two server site security entities: • Gateway – Authentication • NJS – Authorisation DEISA UNICORE tutorial

  50. UNICORE Security - Client • Access to password protected keystore • Encrypted Keystore contains all imported certificate(s) and the user‘s private key(s) • UNICORE Keystore editor allows to • Generate a X509 certificate request • Import/export .p12 or .jks keystores • Import public keys • The User has to import (at least) three certificates into the Client • Pluginsigner‘s certificate (public key) • Gateway signer‘s certificate (public key) • User‘s signed public key DEISA UNICORE tutorial

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