Empowering Bioinformatics Workflows Using the Lustre Wide Area File System across a 100 Gigabit Network Stephen Simms Manager, High Performance File Systems Indiana University ssimms@indiana.edu Today’s talk brought to you by NCGAS • • • • • Funded by National Science Foundation Large memory clusters for assembly Bioinformatics consulting for biologists Optimized software for better efficiency Open for business at: http://ncgas.org Data • In the 21st Century everything is data – Patient data – Nutritional data – Musical data • Raw material for – Scientific advancement – Technological development Better Technology = More Data Better Telescopes • ODI – One Degree Imager – WIYN (Wisconsin, Indiana, Yale, NOAO)telescope in Arizona – ODI will provide 1 billion pixels/image One Degree Imager 32k x 32k CCD • Pan-STARRS – Providing 1.4 billion pixels/image – Currently has over 1 Petabyte of images stored Better Televisions • Ultra High Definition Television (UHDTV) – – – – 16 times more pixels than HDTV Last month LG began sales of 84” UHDTV Tested at the 2012 Summer Olympics Storage media lags behind Genomics • Next Gen sequencers are generating more data and getting cheaper • Sequencing is: Becoming commoditized at large centers and Multiplying at individual labs • Analytical capacity has not kept up Storage support Computational support (thousand points solution) Bioinformatics support Data Capacitor NSF Funded in 2005 535 Terabytes Lustre storage (currently 1.1 PB) 24 Servers with 10Gb NICs Short to mid-term storage http://www.flickr.com/photos/shadowstorm/404158384/ http://www.flickr.com/photos/dvd5/163647219/ http://www.flickr.com/photos/vidiot/431357888/ The Lustre Filesystem • Open Source • Supports many thousands of client systems • Supports petabytes of storage • Over 240 GB/s measured throughput at ORNL • Scalable – aggregates separate servers for performance – user specified “stripes” • Standard POSIX interface Lustre Scalable Object Storage MDS metadata server Client OSS object storage server Computation Workflow - The Data Lifecycle http://www.flickr.com/photos/davesag/4307240/in/set-799526/ Data Lifecycle – Centralized Storage Compute Resource #1 Data Source Researcher's Computer Data Capacitor Compute Resource #2 Tape Archive Visualization Resource NCGAS Cyberinfrastructure at IU • Mason large memory cluster (512 GB/node) • Quarry cluster (16 GB/node) • Data Capacitor (1.1 PB) • Research File System (RFS) • Research Database Cluster for structured data • Bioinformaticians and software engineers Galaxy: Make it easier for Biologists • Galaxy interface provides a “user friendly” window to NCGAS resources • Supports many bioinformatics tools • Available for both research and instruction. Computational Skills Common Rare LOW HIG H GALAXY.IU.EDU Model Virtual box hosting Galaxy.IU.edu Individual labs can get duplicate boxes – provided they support it themselves. The host for each tool is configured to meet IU needs Quarry A custom Galaxy tool can be made to import data from the RFS to the DC. UITS/NCGAS establishes tools, hardens them, and moves them into production. RFS Mason Data Capacitor Policies on the DC guarantee that untouched data is removed with time. Increasing DC’s Utility • If we’re getting high speed performance across campuses – What could we do across longer distances? • Empower geographically distributed workflows • Facilitate data sharing among colleagues • Provide data everywhere all the time 2006 - 10 Gb Lustre WAN 977 MB/s between ORNL and IU Using a single Dell 2950 client Across 10Gb TeraGrid connection 2007 Bandwidth Challenge Win: Five Applications Simultaneously • Acquisition and Visualization – Live Instrument Data • Chemistry – Rare Archival Material • Humanities • Acquisition, Analysis, and Visualization – Trace Data • Computer Science – Simulation Data • Life Science • High Energy Physics Beyond a Demo • To make Lustre across the Wide Area Network useful and more than a demo we needed to be able to span heterogeneous name spaces – In Unix each user has a UID – It could differ from system to system – To preserve ownership across systems we created a method for doing so IU’s Data Capacitor WAN Filesystem • Funded by Indiana University in 2008 • Put into production in April of 2008 • 360TB of storage available as production service • Centralized short-term storage for resources nationwide: – Simplifies use of distributed resources – Projects space exists for mid-term storage Gas Giant Planet Research Visualization Resource PSC Pittsburgh, PA 410 miles Data Capacitor WAN NCSA Urbana, IL 147 miles Tape Archive MSU Starkville, MS 607 miles 2010: Lustre WAN at 100Gb 100 Gbit Testbed – Full Duplex Results Writing to Freiberg 10.8 GB/s 5*40 Gbit/s QDR IB 16*8 Gbit/s 16*20 Gbit/s DDR IB 100GbE Writing to Dresden 11.1 GB/s 16*8 Gbit/s 100 Gbit Testbed – Uni-Directional Efficiency Unidirectional Lustre: 11.79 GByte/s (94.4%) TCP/IP: 98.5 Gbit/s (98.5%) Link: 100 Gbit/s (100.0%) 2011: SCinet Research Sandbox • Supercomputing 2011, Seattle – Joint effort of SCinet and Technical Program • Software Defined Networking and 100 Gbps – From Seattle to Indianapolis (2,300 miles) • Demonstrations using Lustre WAN – network – benchmark – applications Network, Hardware and Software • Internet2 and ESnet, 50.5 ms RTT Network, Hardware and Software Application Results • Applications – Peak: 6.2 GB/s – Sustained: 5.6 GB/s NCGAS Workflow Demo at SC 11 Bloomington, IN • STEP 1: data preprocessing, to evaluate and improve the quality of the input sequence • STEP 2: sequence alignment to a known reference genome • STEP 3: SNP detection to scan the alignment result for new polymorphisms Seattle, WA Monon 100 • Provides 100Gb connectivity between IU and Chicago • Internet2 deploying 100Gb networks nationally • New opportunities for sharing Big Data • New opportunities for moving Big Data 100 Internet2 (100Gbps) DDR3 SDRAM (51.2 Gbps, 6.4GBps, ) Gbps IU Data Capacitor WAN (20 Gbps throughput) 0 NLR to Sequencing Centers (10Gbps/link) Ultra SCSI 160 Disk (1.2 Gbps, 160 MBps) Commodity Internet (1Gbps but highly variable) NCGAS Logical Model Your Friendly National Sequencing Center 10 Gbps Lustre WAN File System NCGAS Mason (Free for NSF users) Data Capacitor Your Friendly Regional Sequencing Lab IU POD (12 cents per core hour) NO data storage Charges 100 Gbps Amazon EC2 (20 cents per core hour) Your Friendly Neighborhood Sequencer Amazon Cloud Storage $80 – 120 per TB per month National Center for Genome Analysis Support (NCGAS) • Using high speed networks like I2 and the Monon 100, the DC-WAN facility will be ingesting data from Laboratories with next generation sequencers and serving reference data sets from sources like NCBI. • Data will be processed using IU’s Cyberinfrastructure Special Thanks To • • • • • • • NCGAS – Bill Barnett and Rich LeDuc IU’s High Performance Systems Group Application owners and IU’s HPA Team IU’s Data Capacitor Team Matt Davy, Tom Johnson, Ed Balas, Jeff Ambern, Martin Swany Andrew Lee, Chris Robb, Matthew Zekauskas and Internet2 Evangelos Chaniotakis, Patrick Dorn and ESnet • • • • • • Brocade Ciena DDN IBM Internet2 , ESnet Whamcloud – – – – – – 10Gb Cards, 100Gb Cards, and optics 100 Gb optics 2 SFA 10K iDataPlex nodes Network link and equipement Lustre support Thank you! Stephen Simms ssimms@iu.edu High Performance File Systems hpfs-admin@iu.edu