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/ B ~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 n th ,000,000X 100,000X 10,000X 1,000X 100X 10X 1X CPU Density/Power, Connectivity/Bandwidth, Node/Value Moore’s Law Gilder’s Law Metcalfe’s Law 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 Geoscience GIS Weather/Climate Seismic Engineering MCAE EE eEngineering Vertical Initiatives BioX/Comp. Bio. Bioinformatics Proteomics Pgx 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 Company 2 Center A Center B Center C Center D Center E Center F BioComputing Section Network of Excellence Centers Company 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 Cluster Cluster Grid Domain of SGE & Technical Computing Stack  Stage 2- Multiple Owners, 1+ Clusters, 1 Enterprise, 1 Site Campus Grid Domain of SGE/EE & Multicluster Solutions  Stage 3- Multiple Sites, Multiple Enterprises Global 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 GLOBAL CAMPUS LOCAL Campus 1 mult.owners, 1site Campus 2 mult.owners, 1site Resource Sharing & Brokerage Cluster 1 1owner, 1site Cluster Mgmt Resource Mgt Cluster 2 1owner, 1site Cluster Mgmt Resource Mgt Cluster 1 1owner, 1site Cluster Mgmt Resource Mgt Cluster 2 1owner, 1site Cluster Mgmt Resource Mgt

16October, 2001 Grid 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 Grid Sun TCP, SGE Broker, Globus, Avaki, Cactus, Punch,... Sun TCP Technical Computing Portal & iPlanet Security GLOBAL CAMPUS LOCAL Campus 1 Campus 2 Sun TCP, SGE Broker Cluster 1 TCP SGE ClusterTools SRM SunMC Jxta Jiro QFS Cluster 2 TCP SGE ClusterTools SRM SunMC Jxta Jiro QFS Cluster 1 TCP SGE ClusterTools SRM SunMC Jxta Jiro QFS Cluster 2 TCP SGE ClusterTools SRM SunMC Jxta 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 1 Department 2 Department 3 Department resource accessCampus wide resource demand Project A Team B-4 Contractor X Project C User 1 Manage the full matrix of demand - Users -Teams -Projects User 2 Department 4 Department 5

22October, 2001 Sun Grid Engine Status  Ubiquitous, free, open source, open APIs  Current Release: SGE (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 !! /...

23October, 2001 Grid Resource Management LOOSESTRINGENT SGE Broker Shared Policy Model Grid Infrastucture Layer (e.g. Globus, Avaki) SGE Resource Broker SGE site C local policy, user, etc. mgmt. Cluster Grid Campus Grid Global Grid SGE site A local policy, user, etc. mgmt. SGE site B local policy, user, etc. mgmt.

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