1October, 2001 Sun in Scientific & Engineering Computing Grid Computing for Life Sciences Wolfgang...

1October , 2001

Sun in Scientific & Engineering Computing

Grid Computing for Life Sciences

Wolfgang Gentzsch Director Grid Computing

BioGrid Symposium, Singapore, October, 2001

2October , 2001

The BIG Challenges: Reality !

Computing Reality: Moore's Law CPU "power" ~2X/18-24 months, constant cost

Genomics Reality Information now ~2X/6 months (Genbank), 4/01

12.4B ~11%/mo

Interoperability; Post-Genomics is the BIG PROBLEM

Biopharma/Economic Reality NCE's/year dropping; R&D increasing

Academic Reality My favorite URLs

Run my algorithms 24x7 !

3October , 2001

Computing Reality: The Net Effect: Take it to the nth

1980 1990 2000

1,000,000X

100,000X10,000

X1,000X

100X

10X

1X

CPU Density/Power, Connectivity/Bandwidth, Node/Value

Moore’sLaw

Gilder’sLaw

Metcalfe’sLaw

Net Effect

4October , 2001

Genomics Reality: Without IT, Data is Just....Data!

Information

Knowledge

Action

Data

5October , 2001

Industry Expectations

7% Market Growth

3-5 NCEs/annum

R&D Costs $350M-$500M

Average sales $265M/annum/drug

Realities

Only realizable in areas of therapeutic and geographical strength

Currently 0.6 NCE/annum

Best estimates are approx $700M/drug

Only 10% achieve >$180M in annual sales

Economic Reality: Drug Discovery is Frustrating!

6October , 2001

BLASTx, FASTA, SMITH-WATERMAN

Phred/Phrap/Consed, Cross_Match, LASSAP

HMMx, CLUSTALx, FrameMatch, D2, NCBI Toolkit

EMBOSS, Artemis, Phylip, Darwin, MAGPIE

BioSCOUT, SRS, BIOPENDIUM, GCG

DoubleTwist, InforMax, ExPASy, ISYS

Oracle, SQL*GT/LIMS, ... Etc.!

x=multiple versions

Key Bioinformatics Software on Solaris

7October , 2001

Academic

U MN, U WI, SDSC/NPACI, NCGR, Wash U (St Louis), Harvard, Rockefeller, CBR-RBC (Canada), UCL, Cambridge U, Humboldt U (Ger), Sydney U, U Queensland, NHRI (Taiwan), Weizmann, InfoBiogen, U. Tokyo, Virginia Bioinformatics Institute, Delaware Bioinformatics Institute, Beijing Genomics Institute, etc.

Commercial

Most BioPharma, Monsanto, Genset, Gene-IT, Keygene, Incyte, OGS, MGW Biotech, DNA Print Genomics, etc.

Selected Major Accounts

8October , 2001

Executive Support for Life Sciences

Dr Greg Papadopoulos Sr

VP & CTO, 2/01

"Sun is committed to working with the life science community to identify and tackle computing/informatics challenges and requirements in the post-genomics era."

9October , 2001

GeoscienceGIS

Weather/ClimateSeismic

EngineeringMCAE

EEeEngineering

Vertical Initiatives

BioX/Comp. Bio.Bioinformatics

ProteomicsPgx

Technology Desktop(Scientific Desktop, Visualization, DCC, Thin Clients and

Development of solution stacks)

Grid Computing(Showcase Implementations of iPlanet-Portal, Sun Grid Engine,

SMC, Sun Clustertools for Tier 1 – Tier 3 Grid Computing)

S&E: Computational Biology Initiative

10October , 2001

Sun Community Support HPC:Grid

HPC Consortium Computational Biology Special Interest

Group COE Informatics Advisory Council (SDN) Events

11October , 2001

Steering Board for every Section

Regional/Global Events

COEs around the world

Industry Collaborations

Compa

ny 2

Center A

Center B

Center C

Center D

Center E

Center FBioComputing

Section

Network of Excellence Centers

Compa

ny 1

12October , 2001

U. Wisconsin – Madison Virginia Bioinformatics Institute Beijing Genomics Institute Delaware Biotechnology Institute ...

Other COEs with CB Components Ohio Supercomputer Center/Children's

Hosp. Cincinnati

COE in Computational Biology

13October , 2001

Summary: Sun's Grid Computing Offerings Sun's existing scalable Grid Computing software stack

Open source building blocks (SGE, Broker, ClusterTools, TCP Portal, Jxta, ...)

Encourage Your research contribution to open source (community)

Integration with Globus etc. (SGE/Broker-Globus-SGEs)

Sun Center of Excellence Program (cooperation ! )

Collaboration, joint Grid projects, Sun GridSIG, . . .

14October , 2001

Different Levels of Grids

Stage 1 - 1 Owner / 1 ClusterCluster Grid Domain of SGE & Technical Computing Stack

Stage 2 - Multiple Owners, 1+ Clusters, 1 Enterprise, 1 SiteCampus Grid Domain of SGE/EE & Multicluster Solutions

Stage 3 - Multiple Sites, Multiple EnterprisesGlobal Grid Domain of SGE/EE plus Grid Frameworks

15October , 2001

Grid Levels

Global Grid (mult.owners, mult.sites)Grid Resource Mgmt, Security, Authentication, Distributed Data

User interface

GL

OB

AL

CA

MP

US

LO

CA

L

Campus 1mult.owners, 1site

Campus 2mult.owners, 1site

Resource Sharing & Brokerage Resource Sharing & Brokerage

Cluster 11owner, 1site

Cluster MgmtResource Mgt







16October , 2001

Grid Computing @ Sun

"The Network is the Computer"

Java, Jini, Jxta, . . .

July'00: Acquisition of Gridware

"Grid" projects since 1995, Julius, Medusa, Eroppa, Unicore, Autobench, . . .

Grid Engine, free, open source, ubiquitous, open API

Department for Grid Computing (inSun VSP): Cluster SW/Stack, Grid SW/Stack, Grid Computing Lab, customer pilots

Sun Grid Computing Council

17October , 2001

Sun Grid Software Stack

Global GridSun TCP, SGE Broker, Globus, Avaki, Cactus, Punch,...

Sun TCP Technical Computing Portal & iPlanet Security

GL

OB

AL

CA

MP

US

LO

CA

L

Campus 1 Campus 2

Sun TCP, SGE Broker Sun TCP, SGE Broker

Cluster 1 TCP SGE ClusterToolsSRM SunMCJxta Jiro QFS




18October , 2001

Sun Technical Computing Portal "prototype"

The only (soon) commercially available hw/sw solution that... Enables quick deployment of tech apps over

Internet, similar to mail and calendaring Combines light-weight architecture with Industry-proven security and system

management Based on iPlanet and Sun Grid Engine

19October , 2001

20October , 2001

Sun Distributed Resource Management Load balancing maximizes resource utilization

Transparent job submission & machine selection

Monitoring and accounting ==> SGE Sun Grid Engine, open source

Guaranteeing required resources

Full control over resource utilization

Fair and share based resource usage

Implementation of management policies ==> Sun Grid Engine Broker, open source

21October , 2001

Managing Compute Resources with Sun Grid Engine Broker

Department 1Department 2

Department 3

Department resource accessCampus wide resource demand

Project A

Team B-4

Contractor X

Project C

User 1

Manage the fullmatrix of demand - Users -Teams -Projects

User 2Department 4

Department 5

22October , 2001

Sun Grid Engine Status Ubiquitous, free, open source, open APIs

Current Release: SGE 5.2.3 (July 2001)

Over 12,000 downloads (Sept 2001) (1 Mio downloads in 2084) =>> SGE = The Leading RMS

OpenSource (July 2001) 500,000 lines, Sept 2001: 1000 downloads

Today: Grid Computing everywhere in Sun !! www.sun.com/gridware .../hpc .../edu /...

23October , 2001

Grid Resource Management

LOOSE STRINGENT

SGE BrokerShared Policy Model

Grid Infrastucture Layer (e.g. Globus, Avaki)

SGE Resource Broker

SGEsite C

local policy,user, etc. mgmt.

Cluster Grid

Campus Grid

Global Grid

SGEsite A


SGEsite B


24October , 2001

Demo'd at Argonne National Lab ANL, ARL Army Research Lab, Raytheon, and San Diego SDSC

On 2 SGE clusters (eg: SDSC, 30 cpus and 70 cpus)

Globus/SGE interaction through GRAM scripts

Globus jobs from ANL submitted to ARL cluster

Next step: SGE/EE on top of Globus

Globus & SGE/Broker on Top of SGE

25October , 2001

SGE: Scheduling decisions to select remote site

SGE acting as the resource broker for Globus

Globus: multi-site communication, authentication, security, file transfers,...

SGE/Globus interface to be developed:

SGE/Broker submits and tracks jobs to remote systems using Globus services

SGE/Broker as Part of Globus

26October , 2001

Sun and Open Grid Standards

Example: DRMAA Distributed Resource Management Application API

"The Glue" between Distributed Resource Management and Applications/Tools

=> Makes resource management transparent

Proposed new Working Group at Global Grid Forum in Frascati/Rome, October 2001

Presented by Veridian, Intel, and Sun

27October , 2001

Sun's Grid Strategy Strong Grid core team for developing and productizing

core components (like SGE, Grid Broker,TCP)

Sun Grid Computing Council: Integrate Sun technologies and products and port the environment to all Sun platforms

Sun's partners take care of other computing platforms

Collaborate with the Grid community, IT partners and our customers to build all kinds of different Grids

Sun currently is proposing, designing and building some 50 Grids with research labs, universities and industry Sun Grid software stack available TODAY

1October, 2001 Sun in Scientific & Engineering Computing Grid Computing for Life Sciences Wolfgang...

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