High Performance and Grid Computing at UVa Marty Humphrey Assistant Professor Computer Science Depar

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High Performance and Grid Computing at
UVaMarty HumphreyAssistant ProfessorComputer
Science Department University of Virginia
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Observations

• Networks/machines (still) getting faster and
  cheaper
• Distributed OS and Network OS did not/will not
  work

• Isnt there something thats better than
  rsh/telnet (ssh) and ftp (scp)?

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Enter Grid Computing
Host/OS 1,1
Host/OS 2,1
Host/OS 3,1
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Grid OS Requirements

• Who cares where it is?
• It must always be there when I need it
• Security
• no one can steal my data
• no one can pretend to be me
• dont tell me who I will/can trust
• Choose secure, fast, cheap resources

• Dont make me manually copy stuff around
• Dont make me learn a new OS
• I dont want errors
• If errors occur, tell me in plain English how I
  can avoid it next time
• Dont bother me with the details
• Make my life easier !

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Legion (Grimshaw, UVa)

• True OS-like abstraction of wide-area and
  cross-administrative-domain resources
• Traditional OS features
• Process creation and control
• Distributed file system (LegionFS)
• Security
• Resource management and accounting
• But facilitates Grid computing
• Provides Grid programming model
• Enables secure sharing and collaboration
• Data Grid and Computational Grid

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NPACI example CHARMM Runs
Molecular Dynamics Simulations (Protein Folding)
100-200 structures to sample (r,Rgyr ) space
r
Rgyr
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Resources Available
IBM SP3 UMich 375MHz Power3 24/24
HP SuperDome CalTech 440 MHz PA-8700 128/128
DEC Alpha UVa 533MHz EV56 32/128
IBM Blue Horizon SDSC 375MHz Power3 512/1184
Sun HPC 10000 SDSC 400MHz SMP 32/64
IBM Azure UTexas 160MHz Power2 32/64
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Transparent Remote Execution

• User initiates run
• User/Legion selects site
• Legion copies binaries (if necessary)
• Legion copies input files
• Legion starts job(s)
• Legion monitors progress
• Legion copies output files

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Web Interface for CHARMM and Amber
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Status of CHARMM or Amber Run
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P-Space
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Legion Applications Organizations

• Biochemistry and Molecular Science
• namd, complib, FASTA, gnomad, CHARMM,
• Chemistry
• vasp
• Materials Science
• DSMC
• Aerospace
• Design Explorer, Overflow, Flapper
• Information Retrieval
• PIE
• Climate Modelling
• BT-MED, MM5, NCOM-COAMPS
• Astronomy
• Hawley-Hydro
• Neuroscience
• Mammalian neural network
• Graphics
• Rendergrid

• Resource Providers
• UVa, SDSC, UMich, UTexas, NAVO, ARL, CalTech,
  PSC, UIUC, SUNY Binghamton,
• Resource Consumers
• UVa Biology, UVa Chemistry, UVa Computer
  Science, UVa Medical School, Boeing, NAVO, LSU,
  NCAR, Stanford, SUNY,

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Worldwide Grid Efforts

• Legion / Avaki
• Globus
• NMI
• PACIs

• EU DataGrid
• UK E-Science
• DTF/ETF
• GGF
• OGSA

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How UVa Fits In Today.

• Legion/Avaki
• (Soon) Site Licenses for DataGrid
• Globus
• Many of our research projects are based on Globus
• NMI
• MyProxy (joint with NCSA/UIUC)
• PACIs
• Continuing NPACI work

• EU DataGrid
• UK E-Science
• DTF/ETF
• maybe
• GGF
• Steering Group, Security Area Director, OGSA SEC
  co-chair
• OGSA
• OGSI.NET
• BTeV ITR Proposal

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Why you should/might care

• Grid computing practical resource sharing
• controllable (but you must be willing to share)
• UVa CS and ITC experience
• We are looking for consumers on campus