Polish InfrastructurePolish Infrastructurefor Supporting Computational Sciencefor Supporting Computational Science

in the European Research Spacein the European Research Space

EUROPEAN UNION

PL-Grid:PL-Grid:National Grid Initiative in PolandNational Grid Initiative in Poland

Structure and StatusStructure and Status

Jacek KitowskiJacek KitowskiInstitute of Computer Science AGH-USTInstitute of Computer Science AGH-UST

ACK CYFRONET AGHACK CYFRONET AGH

in collaboration within collaboration withPL-Grid RepresentativesPL-Grid Representatives

HP-CAST

Madrid, May 10-13, 2009

BigViewBigView

PL-Grid Consortium Systematic approach establishing the Consortium and NGI Motivation Rationales Foundations International Collaboration

PL-Grid Project in a nutshell Status

PL-Grid Project Infrastructure Workpackages

Summary

OutlineOutline

MotivationMotivation E-Science approach to research Integration activities ongoing in the world

3

Need for e-Science ApproachNeed for e-Science Approach E-Science: collaborative research supported by advanced distributed computations

Multi-disciplinary, Multi-Site and Multi-National Building with and demanding advances in Computing/Computer Sciences

Goal: to enable better research in all disciplines System-level Science: beyond individual phenomena, components interact

and interrelate to generate, interpret

and analyse rich data resources• From experiments, observations

and simulations• Quality management, preservation

and reliable evidence to develop and explore models and simulations

• Computation and data at all scales• Trustworthy, economic, timely and relevant results

to enable dynamic distributed collaboration• Facilitating collaboration with information

and resource sharing• Security, trust, reliability, accountability, manageability and agility

M. Atkinson, e-Science (...), Grid2006 & 2-nd Int.Conf.e-Social Science 2006, National e-Science Centre UKI. Foster, System Level Science and System Level Models, Snowmass, August 1-2, 2007

Thanks to CYFRONET activity

five High Performance Computing Polish Centres analysed according to: Participation in International and National Projects and Collaboration Need by Polish Scientific Communities Computational resources to date European/Worldwide integration Activities National Network Infrastructure ready (thanks to Pionier National Project)

Rationales behind PL-Grid ConsortiumRationales behind PL-Grid Consortium

GEANT2GEANT2

~35 international projects FP5, FP6, FP7 on Grids (50% common) Grid Projects: Crossgrid, Gridstart, Unicore, EGEE I,II,III, K-WfGrid, Coregrid,

Virolab, Gredia, int.eu.grid, Eurogrid, Grip, Unigrids, Balticgrid I,II, Gridlab, Intelligrid, Ringrid, Brein, Beingrid, Qoscosgrid, Chemomentum, EUChinagrid, PRACE,…

~10 Polish projects (50% common) Pionier, Progress, SGIgrid, Clusterix, NDS, Platon, IT-SOA, ….

Close collaboration with Institute of Computer Science AGH-UST

Participation in Projects and CollaborationParticipation in Projects and Collaboration

Need by Polish Scientific Communities Need by Polish Scientific Communities

Scientific Community /Representative % Polish publications

Warsaw / ICM 29,0 %Cracow / Cyfronet 16,4 %Wrocław / WCSS 11,1 %Poznań / PCSS 10,1 %Gdańsk / TASK 6,8 %

SUM 73,4 %

Poland 100 %

Distribution of Polish publications in period 01.2004 – 04.2008 according to

Science Citation Index Expanded + Social Science Citation Index + Arts & Humanities Citation Index

Partners’ Resources to DatePartners’ Resources to Date

TOP500 – Nov.2008 Polish SitesTOP500 – Nov.2008 Polish Sites

National and International Integration InitiativesNational and International Integration Initiatives

Ongoing European and Worldwide activities and consolidation EGEE EGI_DS, EGI DEISA PRACE ......

European e-

Infrastructure

2000 Testbeds 2010 Utility ServiceRoutine Usage

National

International

SGI Grid, Progress(Clusterix, National Data Store ...)

Chemomomentum, Virolab, CoreGrid, Gredia, int.eu.grid, Baltic Grid, GridLab,

Porta Optica, RINGRid, Phosphorus, QoSCoSGrid, Intelligrid, K-WfGrid, Unicore...

Other Activities – Collaboration and DisseminationOther Activities – Collaboration and Dissemination EGI_DS – CYFRONET activity

Policy Board (deputy: M. Turala), NGI Observers -- „Polish Experts” (WP3, WP5) participation in Workshops, resulted in EGI_DS

draft deliverables, use-cases ... EGEE

From Cyfronet: chairing Resource Allocation Group in EGEE-III – trying to influence EGI• Group has a mandate to manage current process of resource allocation in EGEE and

propose better model for future• Operate CE ROC • More: https://twiki.cern.ch/twiki/bin/view/EGEE/RAG

E-IRG – CYFRONET activity Workshops Discussions on EGEE – EGI – NGI future

EU Unit F3 „Research Infrastructure” Experts in Program Committee, nominated by the Polish Ministry of Science and High Education (since 2007) from CYFRONET

ENPG seminar in Cracow (2008) Others

CGW 2007 and 2008 Cyfronet Users’ Annual Conference (2008 and 2009) Cyfronet Open Day (2007, 2008) ICCS 2008 Conference

Other ActivitiesOther Activities

Computational Chemistry (VO) in EGEE Third CPU power consumer

• Nearly 3 million of jobs executed during 2007 Lead by Cyfronet since 2006

• Recently management of Computational Chemistry Cluster of Excellence In parallel current effort include:

• Grid ports of commercial and non commercial software packages with particular focus on their parallel version

• Development of “experiment centric” grid web portal for chemists

EGEE III / CE ROC

EGEE-IIIEGEE-III / CE ROC / CE ROC• CE ROC – coordinator: ACK CYFRONET-AGH

• Consortium consists of institutes from 7 countries:Austria (2), Croatia (3), Czech (1), Hungary (5), Poland (4), Slovakia (1), Slovenia (1)

• Operate, maintain and support EGEE Grid Infrastructure in CE region

• Virtual Organizations supported in Central European region:HEP, computational chemistry, biomedicine, pharmacology, astrophysics, earth scienceand regional users (VOCE VO)

Poznan-PSNC

Cracow-CYFRONET

Warsaw-ICM

cores storage

Published by sites

PL-Grid Foundations – SummaryPL-Grid Foundations – Summary

Motivation E-Science approach to research EGI initiative ongoing in collaboration with NGIs

Creation of Polish Grid (PL-Grid) Consortium: http://plgrid.pl Consortium Agreement signed in January 2007

PL-Grid Project (2009-2012) Application in Operational Programme Innovative Economy, Activity 2.3 (in Sept. 2008) Get funded March 2, 2009 (via European Structural Funds)

Consortium made up of five largest Polish supercomputing and networking centres (founders) ACK CYFRONET AGH (Cracow) – Coordinator

Polish Infrastructure for Supporting Computational Science in the European Research Space

Response to the needs of Polish scientists and ongoing Grid activities in Poland, other European countries and all over the world

PL-Grid Consortium Founders PL-Grid Consortium Founders

• Academic Computer Center Cyfronet AGH (ACK CYFRONET AGH) Coordinator • Poznań Supercomputing and Networking Center (PCSS)• Wrocław Centre for Networking and Supercomputing (WCSS)• Academic Computer Center in Gdańsk (TASK)• Interdisciplinary Center for Math. and Computat. Modelling, • Warsaw University (ICM)

GEANT2GEANT2

Grid infrastructure (Grid services)PL-Grid

App

licat

ion

App

licat

ion

App

licat

ion

App

licat

ion

Clusters High Performance Computers Data repositories

National Computer NetworkPIONIER

DomainGrid

Advanced Service Platforms

DomainGrid

DomainGrid

DomainGrid

Assumptions Polish Grid is going to have a common base infrastructure – similar to solutions adopted in

other countries. Specialized, domain Grid systems – including services and tools focused on specific types of

applications – will be built upon this infrastructure. These domain Grid systems can be further developed and maintained in the framework of

separate projects. Such an approach should enable efficient use of available financial resources. Creation of a Grid infrastructure fully compatible and interoperable with European and World

Grids thanks to cooperation with teams involved in the development of European Grid systems (EGEE, DEISA, OMII, C-OMEGA, ESFRI).

Plans for HPC and Scalability Computing enabled.

PL-Grid InfrastructurePL-Grid Infrastructure

Users

Nationalcomputernetwork

Grid Application

Programming Interface

Virtual organizations and

security systems

Basic Grid services

Gridservices

LCG/gLite(EGEE)

UNICORE(DEISA)

OtherGrids

systems

Gridresource

s

Distributedcomputationa

l resources

Grid portals, development tools

Distributed data

repositories

The PL-Grid Project is split into several workpackages

Planned Realization of AimsPlanned Realization of Aims

PLANNING AND DEVELOPMENT

OF INFRASTRUCTURE

P2

Coordination StructureOperation Rules Dissemination

PROJECT MANAGEMENTP1

SECURITY CENTER

P6

Training

SUPPORT FOR VARIOUSDOMAIN GRIDS

P5P4 GRID SOFTWAREAND USERS

TOOLS DEVELOPMENTEGEE DEISA … .

OPERATIONS CENTERP3

Main Project Indicators: • Peak Perf.: 215 Tflops • Disk Storage: 2500 TB

ChallengesChallenges Short term

To start – establishing PL-Grid VO using Partners’ local and EGEE resources To provide resources for covering operational costs To select computational/storage resources for PL-Grid infrastructure

Long term – continously To provide the necessary infrastructure (!!)

• Computer rooms, electrical power, many organizational issues Be prepared / work on approaching paradigms and integration development

• HPC – Scalable Computing• Clouds (internal-external, computing clouds, data clouds)• SOA paradigm, knowledge usage …

Thank you

Polish InfrastructurePolish Infrastructurefor Supporting Computational Sciencefor Supporting Computational Science

in the European Research Spacein the European Research Space

EUROPEAN UNION

PL-Grid:PL-Grid:National Grid Initiative in PolandNational Grid Initiative in Poland

Structure and StatusStructure and Status

Jacek KitowskiJacek KitowskiInstitute of Computer Science AGH-USTInstitute of Computer Science AGH-UST

ACK CYFRONET AGHACK CYFRONET AGH

in collaboration within collaboration withPL-Grid RepresentativesPL-Grid Representatives

HP-CAST

Madrid, May 10-13, 2009

Technical IssuesTechnical Issues

Grid infrastructure (Grid services) PL-Grid

App

licat

ion

App

licat

ion

App

licat

ion

App

licat

ion

Clusters High Performance Computers Data repositories

National Computer Network PIONIER

DomainGrid

Advanced Service Platforms

DomainGrid

DomainGrid

DomainGrid

Assumptions Polish Grid is going to have a common base infrastructure – similar to solutions adopted in

other countries. Specialized, domain Grid systems – including services and tools focused on specific types of

applications – will be built upon this infrastructure. These domain Grid systems can be further developed and maintained in the framework of

separate projects. Such an approach should enable efficient use of available financial resources. Creation of a Grid infrastructure fully compatible and interoperable with European and World

Grids thanks to cooperation with teams involved in the development of European Grid systems (EGEE, DEISA, OMII, C-OMEGA, ESFRI).

Plans for HPC and Scalability Computing enabled.

PL-Grid InfrastructurePL-Grid Infrastructure

Elements and FunctionalityElements and Functionality

PL-Grid software will comprise: user tools (portals, systems for

applications management and monitoring, result visualization and other purposes, compatible with the lower-layer software used in PL-Grid);

software libraries; virtual organization systems: certificates,

accounting, security, dynamic ; data management systems: metadata

catalogues, replica management, file transfer;

resource management systems: job management, applications, grid services and infrastructure monitoring, license management, local resource management, monitoring.

Users

Nationalcomputernetwork

Grid Application

Programming Interface

Virtual organizations andsecurity systems

Basic Grid services

Gridservices

LCG/gLite(EGEE)

UNICORE(DEISA)

OtherGrids

systems

Gridresources

Distributedcomputational

resources

Grid portals, development tools

Distributed data

repositories

Three Grid structures will be maintained: production, reseach, testing.

The PL-Grid Project is split into several workpackages

Planned Realization of AimsPlanned Realization of Aims

PLANNING AND DEVELOPMENT

OF INFRASTRUCTURE

P2

Coordination StructureOperation Rules Dissemination

PROJECT MANAGEMENTP1

SECURITY CENTER

P6

Training

SUPPORT FOR VARIOUSDOMAIN GRIDS

P5P4 GRID SOFTWAREAND USERS

TOOLS DEVELOPMENTEGEE DEISA … .

OPERATIONS CENTERP3

Main Project Indicators: • Peak Perf.: 215 Tflops • Disk Storage: 2500 TB

WP2: Planning of Infrastructure DevelopmentWP2: Planning of Infrastructure Development

Analysis of users’ requirement Analysis of worldwide activity in infrastructure development Expecting results:

• Current activity: organization of pilot PL-Grid VO using EGEE infrastructure• From analysis: clusters with x86 processors

WP3: Operations Center’s tasksWP3: Operations Center’s tasks

EGIGroup

EGI Testing

Middleware

EGI ProductionMiddleware

Coordination of Operation Management and accounting EGI and DEISA collaboration

(HPC and Scalability Computing) Users’ requirements More spectacular (using

researchand test infrastructures) Computational Cloud Data Cloud Internal and External

Clouds

WP4: Grid Software and Users Tools WP4: Grid Software and Users Tools

Workpackage on Development/Research• Analysis of users’ requirements• Software repository (different tools and components developed by Partners)• Reengineering of tools and applications (legacy codes, APIs, SOA applications)• Virtual Laboratory (component applications, workflows, applications monitoring) – from

EU FP6 Virolab Project• High-level virtual organizations using knowledge (semi-automatic creation using

contract, semantic description of resources, monitoring of SLA due to QoS), data access – FiVO from EU FP6 Gredia Project

• Tools for management, proactive monitoring and security (Bazaar, Permis)

WP5: Support and TrainingWP5: Support and Training

Users’ support Making commercial software available for the users (license activity) Training, education

WP6: SecurityWP6: Security

Users’ support • Authorization, authentication, ...• Certificates ...

Enabling Grids for E-sciencE

EGEE-II INFSO-RI-031688 t.szepieniec@cyfronet.pl

• Gaussian VO created supported by several Partners (EGEE activity)

• Accepted by Vendor

• Registration: https://voms.cyf-kr.edu.pl:8443/vo/gaussian/vomrs

GAUSSIAN in Grid

• VO Manager: Mariusz Sterzel (CYFRONET), EGEE II Comput. Chemistry coordinator m.sterzel@cyfronet.pl

ACK: Tomasz Szepieniec

Enabling Grids for E-sciencE

EGEE-II INFSO-RI-031688 t.szepieniec@cyfronet.pl

Never Born Protein Folding

ComputingElement

Euchina Virtual Organization (EGEE)

StorageElement

2. Transfer

application

User InterfacePortal

AABTDDSAD

1.Submit

sequence

3. Store protein

4. Visualize

PDB1.32 3.23 3.442.77 4.33 5.661.32 3.23 3.44

ACK: Irena Roterman, Jagiellonian University, Tomasz Szepieniec

ActivitiesActivities Short term

To start – establishing PL-Grid VO using Partners’ local and EGEE resources To provide resources for covering operational costs To select computational/storage resources for PL-Grid infrastructure

Long term – continously To provide the necessary infrastructure (!!)

• Computer rooms, electrical power, many organizational issues • Towards Cloud Computing (internal, external)• Towards HPCaaS and Scalable computing