infrastructure for sharing very large data sets antonio m. ferreira, phd executive director, center...
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Infrastructure for Sharing Very Large Data Sets
http://www.sam.pitt.edu
Antonio M. Ferreira, PhD
Executive Director, Center for Simulation and Modeling
Research Associate Professor Departments of Chemistry and Computational & Systems Biology
University of Pittsburgh
PARTS OF THE INFRASTRUCTURE PUZZLE• Hardware
• Networking• Storage• Compute
• Software• Beyond scp/rsync• Globus• gtdownload
• Policies• Not all data is “free”• Access controls
PARTS OF THE INFRASTRUCTURE PUZZLE• Hardware
• Networking• Storage• Compute
• Software• Beyond scp/rsync• Globus, gtdownload, bbcp, etc.
• Policies• Not all data is “free”• Access controls
DATA SOURCES AT PITT
• TCGA• Currently 1.1 PB growing by ~50 TB/mo.
• Pitt is largest single contributor
• UPMC Hospital System• 27 individual hospitals generating clinical and
genomic data• ~30,000 patients in BRCA alone
• LHC• Generates more than 10 PB/year• Pitt is a Tier 3 site
TCGA DATA BREAKDOWNCancer Pitt Contribution All Univ's Contribution Pitt's
Percentage
Mesothelioma (MESO) 9 37 24.32
Prostate adenocarcinoma (PRAD) 95 427 22.25
Kidney renal clear cell carcinoma (KIRC) 107 536 19.96
Head and Neck squamous cell carcinoma (HNSC) 74 517 14.31
Breast Invasive Carcinoma (BRCA) 149 1061 14.04
Ovarian serous cystadenocarcinoma (OV) 63 597 10.55
Uterine Carcinosarcoma (UCS) 6 57 10.53
Thyroid carcinoma (THCA) 49 500 9.80
Skin Cutaneous Melanoma (SKCM) 41 431 9.51
Bladder Urothelial Carcinoma (BLCA) 23 268 8.58
Uterine Corpus Endometrial Carcinoma (UCEC) 44 556 7.91
Lung adenocarcinoma (LUAD) 31 500 6.20
Pancreatic adenocarcinoma (PAAD) 7 113 6.19
Colon adenocarcinoma (COAD) 21 449 4.68
Lung squamous cell carcinoma (LUSC) 21 493 4.26
Stomach adenocarcinoma (STAD) 15 373 4.02
Kindey renal papillary cell carcinoma (KIRP) 9 227 3.96
Rectum adenocarcinoma (READ) 6 169 3.55
Sarcoma (SARC) 7 199 3.52
Pheochromocytoma and Paraganglioma (PCPG) 4 179 2.23
Liver hepatocellular carcinoma (LIHC) 3 240 1.25
Cervical Squamous cell carcinoma and endocervical adenocarcinoma (CESC)
3 242 1.24
Esophageal carcinoma (ESCA) 2 165 1.21
Adrenocortical Carcinoma (ACC) 0 92 0.00
Lymphoid Neoplasm Diffuse Large B-cell Lymphoma (DLBC) 0 38 0.00
Gliobastoma mutliforme (GBM) 0 661 0.00
Kidney chromophobe (KICH) 0 113 0.00
Acute Myeloid Leukemia (LAML) 0 200 0.00
Brain Lower Glade Glioma (LGG) 0 516 0.00
HOW DO WE LEVERAGE THIS ON CAMPUS?
http://noc.net.internet2.edu/i2network/maps-documentation/maps.html
AFTER THE DMZ
• Now that you have a DMZ, what’s next?
• It’s the last mile• Relatively easy to bring 100 Gbps to the data center• It’s another thing entirely to deliver such speeds to
clients (disk, compute, etc.)
• How do we address the challenge?• DCE and IB are converging• Right now, high bandwidth network to storage is
probably the best we can do• Select users and laboratories get 10 GE to their
systems
BEYOND THE CAMPUS: XSEDE
• The most advanced,
powerful, and robust
collection of integrated
digital resources and
services in the world.
• 11 supercomputers, 3
dedicated visualization
servers. Over 2 PFLOPs
peak computational power.
Single virtual system that scientists can use to interactively share computing resources, data, and expertise …
• Online training for XSEDE and general HPC topics
• XSEDE Annual XSEDE conference
Learn more at http://www.xsede.org
AFTER THE DMZ (CONT.)
• Need the right file systems to backend a DMZ• Lustre/GPFS• How do you pull data from the high-speed network?• Where will it land?
• DMZ explicitly avoids certain security restrictions
• Access Controls• Genomics/Bioinformatics is growing enormously• DMZ is likely not HIPPA-compliant
• Is it EPHI?• Can we let it live with non-EPHI data?
CURRENT FILE SYSTEMS
• /home directories are traditional NFS
• SLASH2 filesystem for long-term storage• 1 PB of total storage• Accessible from both PSC and Pitt compute
hardware
• Lustre for “active” data• 5 GB/s total throughput• 800 MB/s single-stream performance• InfiniBand connectivity
• Important for both compute and I/O
• Computing on Distributed Genomes• How do we make this work once we get the data?• Need the APIs
• Genomic data from UPMC• UPMC has data collection• UPMC lacks HPC systems for analysis
INSTITUE FOR PERSONALIZED MEDICINE• Pitt/UPMC joint venture
• Drug Discovery Institute• Pitt Cancer Institute• UPMC Cancer Institute• UPMC Enterprise Analytics
• Improve patient care
• Discover novel uses for existing therapeutics
• Develop novel therapeutics
• Enable genomics-based research and treatement
WHAT IS PGRR?
What PGRR IS… What PGRR is not….
1. A common information technology framework for accessing deidentified national big data datasets that are important for Personalized Medicine
2. A portal that allows you to use this data easily with tools and resources provided by the Simulation and Modeling Center (SaM), Pittsburgh Supercomputing Center (PSC), and UPMC Enterprise Analytics (EA)
3. A managed environment to help you meet the information security and regulatory requirements for using this data
4. A process for helping you stay current about updates and modifications made to these datasets
1. A place to store your individual research results
2. A system to access UPMC clinical data
3. A service for analyzing data on your behalf
Data Exacell Storage (SLASH2)
PGRR
PSC
IPM
Po
rtal
Pipeline Codes
Frank
Pitt
Pitt (IPM, UPCI)
M
Source (e.g. NCI, CGHub)TCGA
GO
Blackligh
t
She
rlock
BAM
BAM
Panasa
s40 T
B
Bra
she
ar
29
0 T
B
Virtuoso
10 G
bit
(t
hro
ttle
d t
o 2
Gb
it)
Net
wo
rk
Re
plic
ati
on
Metadata
superce
ll1
00 T
B
Da
tab
as
e n
od
es
BAMNon-BAM
Non-BAM
Non-BAM
Non-BAM
Non-BAM
Non-BAM
MDS
~8 TB*
~100 TB*
Xyratex
240 T
B
Bl1
lo
cal
75
T
B
Bl2
local 100 T
B
*Growing to ~1 PB of BAM data and 33 TB of non-BAM data
Pittsburgh Genome Resource Repository
n1n2n3 n0
InfiniBand1Gbit (assumed)
How Do We Protect Data?
• Genomic Data (~424 TB)• Deidentified genomic data• Patient genomic data from UPMC system
• DUAs (Data Use Agreements)• Umbrella document signed by all Pitt/UPMC
researchers• Required training for all users• Access restricted to DUA users only
• dBGap (not HIPAA)
• We host, but user (via DUA) is ultimately responsible for data protection
ACKNOWLEDGEMENTS
• Albert DeFusco (Pitt/SaM)
• Brian Stengel (Pitt/CSSD)
• Rebecca Jacobson (Pitt/DBMI)
• Adrian Lee (Pitt/Cancer Institute)
• J. Ray Scott (PSC)
• Jared Yanovich (PSC)
• Phil Blood (PSC)
CENTER FOR SIMULATION AND MODELING
Center for Simulation and Modeling (SaM)
326 Eberly (412) 648-3094 http://
www.sam.pitt.edu
• Co-directors: Ken Jordan & Karl Johnson
• Associate Director: Michael Barmada
• Executive Director: Antonio Ferreira
• Administrative Coordinator: Wendy Janocha
• Consultants: Albert DeFusco, Esteban
Meneses, Patrick Pisciuneri, Kim Wong
Network Operations Center (NOC)
• RIDC Park
• Lou Passarello
• Jeff Raymond, Jeff White
Swanson School of Engineering (SSoE)
• Jeremy Dennis