14, Chicago, IL, 2005 Science Gateways to DEISA Motivation, user requirements, and prototype example Thomas Soddemann, RZG, Germany

14, Chicago, IL, 2005

To deploy and operate a persistent, production quality, distributed supercomputing environment with continental scope To enable scientific discovery across a broad spectrum of science and technology. Scientific impact (enabling new science) is the only criterion for success.

14, Chicago, IL, 2005 DEISA is an European Supercomputing Service built on top of existing national services. DEISA deploys and operates a persistent, production quality, distributed supercomputing environment with continental scope

14, Chicago, IL, 2005 DEISA Infrastructure Dedicated 1GBit/s Network Global File System (GPFS) UNICORE centric Grid Middleware Infrastructure PKI based security solution (EUGridPMA)

14, Chicago, IL, 2005 AIX SUPER-CLUSTER JUNE 2005 First global file system worldwide in production environments at continental scope Global File System CINECA (I) IDRIS (F) Global File System RZG (GER) FZJ (GER)

14, Chicago, IL, 2005 GPFS demo at European Scale (June 16, 2005, Paris) CINECA (I) FZJ (GER) 2) The application writes the restart data to the Jülich GPFS file system and result data to RZG 3)The results are interpreted and displayed in CINECA, reading the data from RZG (Germany) RZG (GER) IDRIS (F) Global File System 1)A 256 processor job is running at RZG (Germany). The data for this run have been read from IDRIS (France), where hey have been produced by a former job (No ftp, transparent for the user as in a local cluster)

14, Chicago, IL, 2005 Ways of Access to Resources: CLI ssh, qsub/llsubmit, qstat/llq, …

14, Chicago, IL, 2005 Ways of Access to Resources: Rich Client Solution

14, Chicago, IL, 2005 Ways of Access to Resources: Web Portal Solution

14, Chicago, IL, 2005 Ways of Access to Resources: Web Services

14, Chicago, IL, 2005 Ways of Access to Resources: other Globus2 CORBA WebDAV …

14, Chicago, IL, 2005 User Requirements Easy access to computing resources Simple access to computing resources Hide the complexity of the Grid Infrastructure

14, Chicago, IL, 2005 First Time Contact Obstacle: understanding PKI obtaining a certificate handling of certificate and private key Proxy Key, Proxy Certificate Certificate Authority GridPMA Obstacle: understanding the Grid Infrastructure Why does my job not run? Why does my job die? Where are my data?

14, Chicago, IL, 2005 Unsophisticated and intuitively usable GUI  Let the user decide on the level of sophistication  E.g. use of known keywords Help with the creation of input files for complex Applications  Wizards  Upload facilities, server side file browsing Help the user to focus on science

14, Chicago, IL, 2005 The Material Science and Fusion Portal Solution (Prototype) Secure PKI infrastructure for Authentication/Authorization Extensible Concept of pluggable modules in UNICORE client and Portal prototype Built on open standard and enterprise quality components Tomcat/JBoss, Cocoon, org.apache.*, … Separation of concerns Design adheres to several widely accepted Patterns

14, Chicago, IL, 2005 WAN EAS Client Applic ation (Web Brows er) Client Applic ation (Web Brows er) WAS View MD EJB Session EJB Persistent Component Controller DB MBean Package Portal Application UNICORE WebDAV LDAP

14, Chicago, IL, 2005

The Extreme Computing Initiative Identification, deployment and operation of a number of « flagship » applications in selected areas of science and technology Applications must rely on the DEISA Supercomputing Grid services (application profiles have been clearly defined). They will benefit from exceptional resources from the DEISA pool. Applications are selected on the basis of scientific excellence, innovation potential, and relevance criteria. European call for proposals: April 1st -> May 30, 2005

14, Chicago, IL, 2005 Extreme Gyrokinetic Turbulence Simulations The nonlinear particle-in-cell code TORB uses a Monte Carlo particle approach to simulate the time evolution of turbulent field structures in fusion plasmas (J. Nuehrenberg, IPP, Greifswald & L. Villard, CRPP, Lausanne) Within DEISA, TORB has been improved for extreme scalability at IBM system at ECMWF: On 2048 procs: Speedup = 1680 Parallel efficiency = 82% Sustained performance = 1.3 TF 64 nodes = 2048 processors

14, Chicago, IL, 2005 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. DEISA deploys and operates a persistent, production quality, distributed supercomputing environment with continental scope.