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An Introduction to CAMERA and Underlying Technologies Philip Papadopoulos University of California, San Diego San Diego Supercomputer Center California Institute of Telecommunications and Information Technology (Calit2) PI Larry Smarr Announced 17 Jan 2006. Public Release 13 March 2007 $24.5M Over Seven Years DNA Basics for Non-Biologists • Nucleotide bases of DNA – ACTG (Adenine, Cytosine, Guanine, Thymine) – A Sequence of Bases Forms One Side of a DNA Strand – Complementary Bases form the other side of DNA – A matches T (pair) – C matches G (pair) • During cell replication, DNA is “unzipped” . The complementary side can then be replicated perfectly • Human DNA is about 3 billion base pairs on 26 Chromosomes Bases Amino Acids • Triplets of nucleotide bases are called codons and define amino acids. – – – – • Amino acids are the basic building blocks of proteins There are 20 amino acids, but 4^3 = 64 nucleotide combinations. Many amino acids have multiple codons Special codons (called start and stop codons) assist in DNA translation during cell replication. Reading Frames of: GGGAAACCC – This raw sequence could be read as – GGGAAACCC (GGG AAA CCC) (Glycine, Lysine, Proline) – GGAAACCC (GGA AAC) (Glycine, Asparagine) – GAAACCC (GAA ACC) (Glutamic Acid, Threonine) Sequencing Tidbits • The Institute for Genomic Research (TIGR) sequenced the genome of the bacterium Haemophilus influenzae in 1995 using shotgun sequencing – 1.8 Million Base Pairs (Human: 3 Billion) • Sequencing does NOT tell you what function a particular gene plays • It is believed that only ~1.5% of human chromosome codes for expressed characteristics – The non-coding portions contain our genetic history – Unknown what function the rest our DNA plays Most of Evolutionary Time Was in the Microbial World You Are Here Tree of Life Derived from 16S rRNA Sequences Source: Carl Woese, et al Marine Genome Sequencing Project – Measuring the Genetic Diversity of Ocean Microbes Need Ocean Data Sorcerer II Data Will Double Number of Proteins in GenBank! Some CAMERA Goals • Provide an infrastructure where scientists from around the world can perform analysis on genetic communities – Global Ocean Sampling (GOS) is the initial large data set – ~ 8.5 Billion base pairs of raw Reads – Metadata is available for samples – Saline, Temperature, Geographic Location, Water Depth, Time of Day … – Other metadata will be correlated with samples (e.g. MODIS Satellite) • Allow others to search and compare input sequences against CAMERA data. • Overall provide a resource dedicated to metagenomics – Support new datasets – Support new analysis tools and web services Global Ocean Survey (GOS) Sequences are Largely Bacterial ~3 Million Previously Known Sequences ~5.6 Million GOS Sequences Source: Shibu Yooseph, et al. (PLOS Biology in press 2006) Reason for CAMERA • The Global Ocean Survey (GOS) is a huge influx of sequence data • Factors that interrelate microbes and microbial communities are not well known • Significant analysis requires large resources – All-to-all comparisons – Integration of other environmental (meta) data (weather, temperature, salinity,…) is essential • Raw Sequence Data sets are mid-sized – Current set of GOS Raw Reads is about 100GB (FASTA Files) Calit2 CAMERA Production Compute and Storage Complex is On-Line 512 Processors ~5 Teraflops ~ 200 Terabytes Storage User Map – 03 May 2007 • Site in production on 13 March 2007 • More than 500 Registered users from around the globe (~10 new users/day) Calit2’s Direct Access Core Architecture CAMERA’s Metagenomics Server Complex Sargasso Sea Data Moore Marine Microbial Project NASA and NOAA Satellite Data Community Microbial Metagenomics Data DataBase Farm Flat File Server Farm 10 GigE Fabric Request + Web Services JGI Community Sequencing Project W E B PORTAL Sorcerer II Expedition (GOS) Traditional User Dedicated Compute Farm (100s of CPUs) Response Direct Access Lambda Cnxns Local Environment Web (other service) Local Cluster TeraGrid: Cyberinfrastructure Backplane (scheduled activities, e.g. all by all comparison) (10000s of CPUs) Source: Phil Papadopoulos, SDSC, Calit2 Calit2 CAMERA Production Compute and Storage Complex is On-Line Web, Application, DB Servers 200 TB File Storage 10 Gbit/s Network 1 and 10 Gbit/s Switching Compute Nodes Global Elements • Data location – Storage Resource Broker Meta data catalog • Data-type aggregation, cross-correlation, integration – BIRN Data Mediator • Identity Management – Use Grid Security Infrastructure (GSI) Public Key System – Integrated Grid Accounts Management Architecture (GAMA) from SDSC for ease-of-use and Single Sign On • Portal Services – Based on GridSphere – Small Dedicated Compute Cluster (32 nodes) Logical Layout of Servers Single Sign On Layer Web Server Portal Server (Tomcat) Single Sign-on Server Public Net Private Net Cluster Frontend Blast Master (Jboss) Postgres Database Cluster Nodes and File Servers GAMA Server An Incomplete List of Software Components • • • • • • • • • • • • • • • Postgres Database Apache Tomcat Jboss Servlet Container Google Web Toolkit Sun Grid Engine GAMA (Grid Accounting and Management Architecture)/GSI from Globus OPAL (Grid/Web Services Wrapper) GridSphere Portlet Container CAMERA Registration Portal Venter Application Portal NCBI Blast, MPIBlast, ClustalW, MrBayes, CDHit, and host of other Bio Software Ergatis Workflow Engine Jforums Drupl All Integrated with Rocks … Single Person Deployment OptIPortal– Another Rocks Cluster Termination Device for the OptIPuter Global Backplane • • • 20 Dual CPU Nodes, 20 24” Monitors, ~$50,000 1/4 Teraflop, 5 Terabyte Storage, 45 Mega Pixels--Nice PC! Scalable Adaptive Graphics Environment ( SAGE) Jason Leigh, EVL-UIC Source: Phil Papadopoulos SDSC, Calit2 Use of OptIPortal to Interactively View Microbial Genome 15,000 x 15,000 Pixels Acidobacteria bacterium Ellin345 (NCBI) Soil Bacterium 5.6 Mb Source: Raj Singh, UCSD Use of OptIPortal to Interactively View Microbial Genome 15,000 x 15,000 Pixels Acidobacteria bacterium Ellin345 (NCBI) Source: Raj Singh, UCSD Soil Bacterium 5.6 Mb A Look at Networking Introduction to Quartzite An Experimental Network Sunlight (10 Gigabit) Campus/WAN Using a Lambda Network for CAMERA • Many community databases – Protein Databank (PDB) – GenBank – SwissProt • Support only web or web services interfaces – New analysis/programs need access to raw databases/files – Usually, groups make a point-in-time copy of the database • – We call this a data “fork” – Updates are not processed – Papers published with point-in-time data out of date by months or years CAMERA “Direct Connect” will allow us to provide a high-speed connection to the backend servers – Try to eliminate data forking – Copies of CAMERA data is inevitable – Need mechanisms that allow others to keep their copies in synch with CAMERA UCSD Quartzite Core at Completion (Year 5 of OptIPuter) • Funded 15 Sep 2004 Quartzite Communications Core Year 3 (DWDM) To 10GigE cluster node interfaces ..... Quartzite Core • Physical HW to Enable Optiputer and Other Campus Networking Research Wavelength Selective Switch (Lucent) • Hybrid Network Instrument To 10GigE cluster node interfaces and other switches To cluster nodes ..... To cluster nodes ..... GigE Switch with Dual 10GigE Upliks 32 10GigE GlimmerGlass 128 port OOO To cluster nodes ..... To other nodes GigE Switch with Dual 10GigE Upliks ... GigE Switch with Dual 10GigE Upliks Force10 E1200 GigE 10GigE 4 GigE 4 pair fiber Juniper T320 CalREN-HPR Research Cloud Campus Research Cloud Reconfigurable Network and Enpoints 4x4 Wavelength Cross-Connect: • • combiners All integrated optics (except optical amplifiers) – 4 1x4 WSS modules – 4 4x1 passive optical combiners 4 x 40l x 40Gbps = 6.4Tbps switching capacity – currently using central 8l WSSs 1x4 WSS 1x4 WSS 1x4 WSS 1x4 WSS 25 | AT&T Labs, October 2007 Optical Amps 4x4 WXC rack WXC performance demonstration: 1x4 WSS ASE source 1x4 WSS 4x1 swit ch OS A 1x4 WSS 1x4 WSS l1 l2 l3 l4 l5 l6 l1 l8 WSS1 WSS2 WSS3 WSS4 1 2 3 4 2 3 4 1 3/1 4 1/3 2 4 1 2 3 1 2 3 4 2 3 4 1 3/1 4 1/3 2 4 1 2 3 8 lasers at centre of C-Band at 100GHz s use ASE source to illustrate wide bandw 1.use external 4x1 switch to scan WXC p 2.alter switch states of WSS1 and WSS3 26 | AT&T Labs, October 2007 WXC performance demonstration: 27 | AT&T Labs, October 2007 What Does it Cost to Drive the Network • Dominant cost is DWDM optics • Construction of Multiplexers is Simple, and not expensive ~ $250/Channel/End Layer 1 – Four Channel DWDM 10Gbps Switch X 4 Per Side (optional) XFP Switch Module X 4 Per Side (optional) XFP DWDM Optics X 4 Per Side Used in Host or Switch DWDM Mux Transmit X 1 Per Side DWDM DeMux Receive X 1 Per Side SC to LC Fiber 2M X 5 Per Side 1 Fiber Pair Channel 31 Channel 32 Channel 33 Channel 34 Corning 1U Rack Containing DWDM Mux / DeMux + SC to SC couplers, 1 Per side SFP/XFP Optics Costs DWDM Optics from AACTelecom 10Gbps 3500 US Luminent XFP DWDM per unit (ZR 80Km) OC192 and 10GE compatible 10Gbps 2900 US Luminent (assembled in US) XFP DWDM per Unit (ER 40Km) OC-192 and 10GE compatible 1 Gbps SFP DWDM per Unit (80KM model) OC-48 1220 US 1)Optics 2) Optional - Layer 2 Switch (10Gbps capable) 10Gbps capable switch SMC8748L2 (A0707505)+ EXP MOD10G (A0707506) from Dell Switch 1700 US 2 x 10Gbps XFP ports, 48 x 1Gbps Copper 10 Gbps module (holds XFP) 300 US 3) DWDM Mux DeMux DWDM Mux DeMux (SC connector type) 4, 8 , 16 channel = DWDM-100 From oemarket.c om 4 Channel (31,32,33,34 ) 560 US 8 Channel 880 US 16 Channel 1600 (approx) US 4) Corning Rack Mount, Couplers, Fiber Corning Mux DeMux container -1U rack mount Corning PCH01U from Ed Carlin Graybar 1 U (sufficient for 4, 8 or 16 channel) 200 US 2 sets of SC to SC adaptors 100 US (approx) Fiber Patch Cables, Single Mode From Ed Carlin Graybar 2M, SC to LC connector type 30 US (approx) each Complete Solution 5) Optional- DWDM Media Converter DWDM to Copper Media Converter From Carl Stelling at Aaxeon.co m SFP pluggable DWDM to copper media converter 150 US each, not including DWDM optics (just converter) Quartzite State Nov 2007 • • • • • Core Packet Switch with 68 10 GigE ports (More than ½ Terabit) Approximately 30 Channels Lit 64-port All-Optical Glimmerglass Switch - All Fiber into Quartzite is switchable 4 port x 8 Lambda DWDM switch at Lucent (On site at Calit2 in Dec) 4 Channel DWDM Between Calit2 and SDSC – One channel is used for 10Gigabit Production to BIRN Data Racks. • • • Ordered, but waiting for fulfillment 20 Mux/Demux (8 C-band DWDM Channels + 1 1310 (LR) Passband) 32 DWDM XFPS (Channel 40-43 – will fill out rest of channels in 2008)