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EMEA HPTC Virtual Team
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High-Performance Computing on Intel® Architecture
EUROGRID Overview
Klaus-Dieter Oertel
Intel GmbH, Solutions & Software Group
[email protected]
2nd EUROGRID Workshop @ CGW03
Cracow, Oct 29, 2003
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Outline
EUROGRID and Intel EUROGRID Goals Technical Basis: UNICORE EUROGRID Results
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Pallas HPC group has developed the UNICORE Client and has participated in EUROGRID
Intel has acquired the Pallas HPC group (Sep 12)
Pallas HPC will form the Cologne Software Lab (CGSL) within the Software Solutions Group (SSG)
CGSL’s Grid Mission:Make Intel a leading player in Grid technology
CGSL takes Pallas role in EUROGRID
EUROGRID and Intel
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EUROGRID Vision
Build a European Grid infrastructure
that gives users
a seamless, secure access to
High Performance Computing resources
and that advances computational science in
Europe
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EUROGRID Goals European HPC centers setup GRID testbeds
– Seamless access to HPC resources, Multi-site jobs
Interfaces for important applications– Bio-/Chemical, Meteo, CAE
Industrial applications and GRID usage scenarios– ASP services for engineers– Intranet solutions for distributed organizations
Development of UNICORE extensions– E.g. resource broker, efficient data transfer, . . .
Contribute to Global GRID development
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EUROGRID Partners
HPC Centers FZ Jülich (D, Admin. Coord.) CSCS Manno (CH) ICM Warsaw (PL) IDRIS Paris (F) Univ Bergen (N) Univ Manchester (UK)
Users DWD (D) EADS (F) T-Systems (D) (Assistant Partner)
Duration: Nov 2000 – Jan 2004Volume: 33 person years, 3.5 MEuro cost
funded by European Commission Grant No. IST–1999–20247
Integration Pallas (D) (Project Coordinator)
FLE (UK) (Assistant Partner)
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EUROGRID Geography
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The Technical Basis: UNICORE
Vertical Grid System for (HPC) Compute Grids
Graphical client
Sophisticated security concept
Plugins for existing applications(Nastran, Fluent, CPMD, ...)
Object-oriented architecture, implemented in Java
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EMEA HPTC Virtual Team
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UNICORE Client
Graphical Interface to UNICORE Grids Open Source under Pallas Community License Job Preparation, Monitoring and Control Complex Workflows File Management Certificate Handling Plug-in Interface
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UNICORE Job Model
Directed acyclic graph of– tasks (computational or data
transfer)– sub–jobs (to be executed at
another system)– temporal dependencies
Attach resource requeststo tasks– capacity (CPU time, disk, …)– capability (MPI–2, profiling, …)– can do static tests of jobs– can do resource brokering …
If Success Execute LM Model
Import Model Data
LM–JobT3E–1200
Process–LMZampano
Postprocess
Export Data
Notify user
Transfer Data
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UNICORE Network Job Supervisor
UNICORE Architecture
Client can run anywhere Gateway as single point of
entry NJS incarnates and
schedules jobs UDB (User Database)
contains user login information
IDB (Incarnation Database) contains resource information and job incarnation rules
TSI (Target System Interface) interfaces to local batch system
Cray NQE PBSPro
TSI
Network Job Supervisor
Gateway
Client(s)
Insecure Internet
IDB
TSIIDB
UDB
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UNICORE – Security Model User authentication
– permanent user certificate– stored in protected keystore on the user PC/workstation– certificate passed downstream as part of the job
Job authentication– job description is signed with the user’s private key– downstream sites can check whether job is authentic– no trust required between UNICORE sites
Software authentication– client and gateway use certificates for mutual authentication– NJS can use a special “user certificate” for authentication to secondary
sites or take the role of a client User authorization
– performed by the UNICORE server according to local procedures (mostly based on local userid)
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UNICORE Plugins – Extend the User Interface
UNICORE client has a plugin interface – Create GUIs that support important applications– Plugin simplifies data entry for application– Plugin can support application-specific resources– Plugin constructs (complicated) workflows automatically
Plugin will use UNICORE Client to– Submit the application job– Monitor and control the application job
Helpful features– End-users concentrate on applications– Extended consistency checks
Existing Plugins– CPMD molecular dynamics code– Star-CD, Fluent, Nastran, …
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Example: Gaussian98 Plugin
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Results of EUROGRID
Setup and operation of European GridsBio-GRID, Meteo-GRID, HPC-GRID
Industrial use of Grids startedCAE-GRID: EADS (Airbus), T-Systems
Grid-enabling of many applications via plugin interface
Development and integration of new technology Alternative File Transfer, Resource Broker, Billing Services, Cost Estimation, Application Coupling, Interactive Access
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Bio-GRID
biogrid.icm.edu.pl
GRID for biomolecular simulations
Interfaces to existing biological andchemical codes
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Bio-GRID: Applications
ADF: IDRIS CPMD: FZJ Gamess: ICM, FZJ, UoM, Parallab Gaussian98: ICM, FZJ, UoM, Parallab, IDRIS Molcas: FZJ, Parallab Molpro: Parallab Turbomole: FZJ Amber: ICM, FZJ, UoM, Parallab, IDRIS CHARMM: ICM, Parallab Gromos96: ICM
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Bio-GRID: Plugins
Gaussian98 Amber 6.0 PDB search plugin
– Search mirrors of the PDB (Protein Data Bank) database and choose database providing fastest transfer
– Visualize results using Jmol, JMV (Java Molecular Viewer), RasMol/RasWin, or user defined application
List Jobs Plugin– Checks all available Vsites– Gather information about user jobs and their status
File Filter Plugin– Access files in job directory of running jobs
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Meteo-GRID
Develop a relocatable version of DWD‘s weather prediction model
Goal:‘Weather prediction-on-demand‘ as an ASP solution
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CAE-GRID
Coupled simulations of aircrafts(e.g. structure and electromagnetics)
Goal:internal HPC portal for EADS engineers
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CAE-GRID
CAE-GRID at EADS is not publicly available EADS has developed a plug-in for acoustic &
electromagnetic applications– Combining 4 applications in one job
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HPC-GRID Demonstration of a European HPC GRID testbed Sharing of competence and know-how Agreement on certification, access policies, ...
CRAY T3E 900 (32 PE)NEC SX4B/2ALinux Cluster (4 PE)
SGI SGI O2000 (128 PE)
CRAY T3E - 1200 (816 PE)FUJITSU VPP300 (8 PE)SGI O2000 (128 PE)SGI O3000 (256 PE)
IBM SP3 (8 PE)NEC SX5 cluster (40 PE)IBM Power4 (256 PE, 1.3 TFLOPS)COMPAQ Linux Cluster (24 PE)
Linux Intel Cluster (36 PE)CRAY T3E - 600 (512 PE)CRAY T3E - 1200 (512 PE)
FZJ
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EMEA HPTC Virtual Team
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Alternative File Transfer
Scenario: multi-site job where a huge amount of data has to be transferred between sites
UNICORE internal transfer mechanism is based on “slow” Java streams
UNICORE server has been extended to use different file transfer mechanisms e.g. rcp
Use AFTGridFTP in EUROGRID which is: GridFTP as an alternative file transfer mode
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AFTGridFTP
GridFTP:– Developed in the Globus project– FTP (file transfer protocol) with new features for grid applications
such as parallel and partial file transfer– Requires Globus proxy certificates for operation
AFTGridFTP is transparently used for transfers if– The job contains a Transfer Task– The sites are set-up for AFTGridFTP– The Client has loaded the proxy certificate plugin
• Generates a proxy certificate based on the user certificate• The proxy certificate is provided to GridFTP in the job directory• Proxy certificate plugin has been developed in the GRIP (Grid
Interoperability) project
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AFTGridFTP
Performance results depend on– File size– Form of the file: compressed or uncompressed– Number of parallel streams
AFTGridFTP can be 15 times faster than default UNICORE Java streams
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Resource Broker
User specifies job with resource requests (e.g. a certain application resource)
Send job to Broker site which might resolve to a hierarchy of Broker sites
Broker site replies with a list of offers where to run the job
Each offer is a ticket which provides a time-limited service guarantee
Accepting one offer includes the ticket in the job Submit the job to the selected site Valid ticket in the job indicates the acceptance of the
QoS offer
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Resource Broker
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Resource Broker
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EMEA HPTC Virtual Team
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ASP Extensions - Billing Services
Software accounting system on the server– Generate accounting data
(userid, used software, hostname, cpu time, …)– Record the accounting data in a database– Independent of UNICORE
Billing plugin– Retrieve the accounting data and corresponding
prices– Create and provide the billing data to the user
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EMEA HPTC Virtual Team
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ASP Extensions - Billing Services
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ASP Extensions – Cost Estimation
Generic cost estimation is not possible for CAE applications in general
The LS-Dyna application supports cost estimation LS-Dyna plugin has been extended for cost
estimation– A pre-job starts the LS-Dyna simulation for some calculation
cycles– The necessary simulation time is estimated based on
extrapolation– Hardware and software costs are calculated and displayed
in the plugin
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ASP Extensions – Cost Estimation
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Application Coupling
A plug-in has been developed which supports the execution of CORBA coupled applications under UNICORE– Query the status of a CORBA Name Server– Or remove the context references– Start the coupled applications
The applications exchange data independently from UNICORE using only the CORBA framework
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Application Coupling
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Interactive Access
An Interactive Access plugin has been developed for– Interactive execution of pre-defined short
commands– Interactive steering of batch jobs
The job directory can be inspected at run time The user can reconnect to running interactive
batch jobs
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Interactive Access
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More information
EUROGRID: www.eurogrid.org
UNICORE: www.unicore.org
Pallas / Intel: www.pallas.com
GRIP: www.grid-interoperability.org
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Questions?