virtual lab amsterdam vlamsterdam abstract machine toolbox a.s.z. belloum, z.w. hendrikse, e.c....

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irtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture and Parallel Systems Group Department of Computer Science Universiteit van Amsterdam D.L. Groep National Institute for Nuclear and High Energy Physics

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Virtual Lab AMsterdam VLAM Virtual Laboratory AMsterdam A collaborative analysis environment for applied experimental science

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Page 1: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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VLAMsterdamAbstract Machine Toolbox

A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture and Parallel Systems Group

Department of Computer ScienceUniversiteit van Amsterdam

D.L. GroepNational Institute for Nuclear and High Energy Physics

Page 2: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Outline Introduction Objectives VLAM Components VLAM Experiments VLAM Abstract Machine Conclusions

Page 3: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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VLAMVirtual Laboratory AMsterdam

A collaborative analysis environment

for applied experimental science

Page 4: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Objectives Designing middleware:

bridge gap beween Grid- and application-layer Enable VL users to

define, execute, and monitor their experiments Provide to VL users:

location independent experimentation, familiar experimentation environment assistance during his experiment

Page 5: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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VLAM Functional View

VLAM Science Portal + Workbench

OthersDNA Arraygenome

expression

Material AnaMicro beam

FTIR, ...

Bio Medicine

MRI Scanner

Application

Grid Fabric(Farms, microscope, etc.)

VLAM RTS

Grid Middleware(Globus)

Domains

Page 6: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Page 7: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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mExperimental Workflow

Informationgathering

Experimentation Interpretation

Access todevices Access to information

Grid accessible infra: apparatus, systems, network

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Access todata

Page 8: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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The VL Architecture

Front- end

RTS Assistant

Collaboration

Globus Toolkit Application DB

VLAM

KernelDB

Page 9: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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VL-AM Kernel DB Stores user support information:

experiment topology definitions module descriptions user information

Provides cross-links to application annotations

Based on object-oriented database technology

Extends resource directories now used in Grid

Page 10: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Application Domain DB Characteristics of typical application

Scientist(s) performing the experiment On objects and preexisting information & data On which processes operate

That use apparatus with specific properties Resulting in new data and information

A domain-specific flow of processes

Expressive MACS EFC Examples:Expressive, MACS, EFC, ...

Page 11: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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VL Experimentation Environment Data Model

DNA micro-arrayexperiment

Micro-beamexperiment

LIB RARYname: STRI NGid: STRINGpurchase_date: DATEnum_plates : SHORTnum_clones : SHORTmat erial: STRI NGcatalogue_no: STRINGpr ice: FLOATdata_sheet: STRINGpcr_primers: STRINGvolume: SHORTdescription: STRI NG

ORGANISMname: STR INGid: STRING

GENEname: STRI NGid: ST RINGchrom _ l oc: STRINGchrom _start: STRINGchrom _end: STRING

CLONEname: STRI NGid: STRINGvendor_id: STR INGinsert_size: INTEGERdescription: ST RING

WELLgr id: INTEGE Rrow: INTEGE Rcol : INTEGERfl ag: SHORT

LIB_ PLATESUB_ LIBRARYvol ume: SHORTlocation: STRING

CLONE _LIB_ ALIQUOTING SUB_ LIB _ PLATE

P IPETTING_ ROBOThas_program: PIPETTING_ROBOT_PRG

CLONE_ SELECTION CLONE_ SEL_ LISTCLONE_ ASSORTING CLO NE_ PICK ING CULTURE_ INO CULATIO NCLONE_ SEL_ PLATE PLAS MID_ DNA_ ISOLATION

CULT URE_ INCUBATIONvolume: SHORT

temp: FLOATtime: STRI NGrpm: SHORT

CULTURE_ PLATE

CULTURE_ CENTRIFUGATIONt emp: FLOATt ime: STRINGr pm: SHORT

PLAS MID_ DNA_ EXTRACTION

DNA_ COL_ PLATE

DNA_ EXT_ M EMB_ PLATE

CULTURE_ ME DIUM

SHAKING_INCUBATOR

CE NTRIFUGE

PIPETTING_ ROBOThas_pr ogram: PIPETTING_ROBOT_PRG

PCR_ SRC_ DNA_ DILUTION PCR_ SRC_ DNA_ DILUTION _ PLATE

PIP ETTING_ ROBOThas_program: PIPETTING_ROBOT_PRG

PCR_ AM PL IFICATION

PCR_ M IX_ MAKINGhas_ taq _suppl ier: ORGANIZATION

taq_lot_no: STRINGhas_ nucl_suppl ier: ORGANIZATION

nucl _lot_no: STRING

PCR_ PRODUCT _P LATE

PCR_ MIX_ PLATE

PCR_ RXN_ M IX_ DISTRIBUTION

PCR_ TC_ PLATE

PCR_ TC_ RXN

PCR_ PRODUCT_ POOLING

PCR_ RXN_ SETUP

PCR_ M ASTER_ M IX

PCR_ PRIMERname: STRI NGid: STRING

PCR_ PRIMERname: STRI NGid: STRING

PCR_ MIXTURE

PIPETTING_ ROBOThas_pr ogram: PIPET TING_ROBOT_PRG

PIPETTING_ ROBOThas_pr ogram: PIPETTING_ROBOT_PRG

THERM OCYCLERhas_progr am: THERMOCYCLER_PRG

PCR_ VALIDATION

GEL_ MAKING

GELtype: STRING

GE L_ SETUP

GE L_ ELECTROPHORESISloading_buffer: STRING

curr ent: FLOATtime: STRING

GE L_ IMAGING GEL_ IMG_ ANALYSIShas_pr ogram: IMG_ANALYSIS_PRG

GEL_ IMAGE

GEL_ INTERPRE TATION

GEL_ DNA_ MARKER

GEL_ DNA_ SAMPLEname: STRINGid: STRI NG

PIPETTING_ ROBOThas_progr am: PI PETTING_ROBOT_PR G EL ECTROPHORESIS_ APP

CAMERA

PCR_ CLEANUP

DNA_ BIND_ MEMB_ PLATEPIPETTING _RO BO Thas_program: PIPETTING_ROBOT_PRG

PCR_ CLEAN_ PLATE PCR_ EQUILIBRATION

OD_ CALIBRATION DNA_ CONC_ EQUILIBRATIONvolume: SHOR T

OD_ MEASUREMENT

OD_ SAMPLE_ PREPARATIONvolume: SHORT

OD_ SAMPLE _ PLATE

DNA_ DESICCATION

DNA_ EQUILIBRATED_PL ATE

OD_ DATA OD_ CONC_ CALCULATION

DNA_ CONCENTRATION

PIPETTING_ ROBOThas_program: PIPET TING_ROBOT_PRG

DENSITOMETERhas_program: OD_PRG

SPEED_ VAChas_program: VAC_PRG

DNA_ REPLATING P3 8 4 _ SPO TTER_ PLATE

PIPETTING _ ROBO Thas_pr ogram: PIPET TING_ROBOT_PRG

ARRAY_SPOTTING

MICRO_ ARRAYplatform_type: STRINGarray_dimensions : STRINGspot_dimensions : STRINGpitch: STRINGnum _grids: INTEGERnum _rows : INT EGERnum _cols : INT EGERsubstrate: STRINGbinding_protocol : STRINGlocation: STRING

SPOTgrid: I NTEGERrow: I NTEGERcol: INTEGERflag: SHORT

ARRAY_ SPOTTERhas_program: ARRAY_SPOTTER_PRG

O RG ANISMname: STRINGid: STRING

CELL_ SAMPLEorgan: STRINGtissue: STRINGcell_type: STRINGcell_line: STRINGcell_culture: STRINGdevelopment_stage: STRINGsex: STRINGstrain: STRING

CE LL _SAM PL E_ TREATMENTm RNA_ EXTRACTION

cel l_rupture: ST RI NGrna _isolated: ST RING

volume: SHORT

m RNA TREATED_ CELL_ SAMPLEcDNA _L ABELING

label: STRI NGeffi ciency: FLOAT

cDNA _ PROBE

ARRAY_ HYBRIDIZATIONmanual : BOOLEANhyb _t emp: FLOAThyb _t ime: STRING

wash_t emp: FLOATwash_t ime: STR INGdry_t ime: STRINGsol ut ion: STRING

HYBRIDIZED_ ARRAYlocation: STRING

ARRAY_ SCANNINGphotomul tiplier : STRING

ARRAY_ IMAGE

SLIDE_ PROCESSORhas_program: SLIDE_PROCESSOR_PRG

SCANNER

BLOCKING_ AGENT

ARRAY_ IMG_ ANALYSIShas_program: IMG_ANALYSIS_PRG

ARRAY_ MEASUREM ENTraw_result s: STRING

SP OT_ M EASUREME NTgri d: I NTEGE Rrow: I NTEGE Rcol umn: INTEGERflag: SHORTder ived_val ue: DOUBLEder ivat ion_method: STRI NG

CHANNEL_ MEASUREMENTint ensi ty: DOUBLEbkg _intens it y: DOUBL E

Process Flow Template

Expressive MACS EFC

Application databases

DATA_ELEMENT

has_parameter 0 ..*

PARAMETERhas_parameter 0..*

has_comment0..*

has_sub_elm

0..*

has_super_elm0 ..1

PROPERTYname : STRINGnum_val : DOUBLEtext_val : STRINGunit : STRING

has_property0..*

has_prev_elm 0..*

has_next_elm 0..*

has_hardware1..1

HW_TOOL 0 ..*

has_software

1..1

SW_TOOL 0..*

has_p rotocol 0..1

PROTOCOLname : STRINGid : STRINGdescription : STRING

has_comment0..*

COMMENTdate : DATEcomment : STRINGcreator : PERSON

has_related_exp

0..*

has_next_exp

0..1

has_prev_exp

0 ..1

has_exp0..*

experiment_in

1..*

has_element 0..*

EXP_ELEMENTname : STRINGid : STRINGexp_id : STRINGdescription : STRING

0..*

0..*

0 ..1

0..*

0..*

0..*

element_of1..*

has_address0..*

has_project

1..*

PROJECTname : STRINGid : STRINGdescription : STRINGstart_date : DATEend_date : DATEurl : STRING

project_of

has_vendor 0..*

HARDWAREname : STRINGid : STRINGdescription : STRING

1..1

has_vendor 0..*

SOFTWAREname : STRINGid : STRINGdescription : STRING

1..1

has_address0..*

ADDRESSstreet : STRINGpostal_code : STRINGcity : STRINGstate : STRINGcountry : STRING

has_performed

0..*

performed_by1 ..*

PROCESSdate : DATE

0..1

defined_by1..1

TEMPLATEname : STRINGid : STRING

has_defined0..*

has_submitter

1..1

has_submitted0. .*

has_contributor

0..*

EXPERIMENTname : STRINGid : STRINGproject_id : STRINGtype : STRINGsubject : STRINGdate : DATEdescription : STRINGpublished_in : STRINGliterature : STRINGurl : STRING

0..*

0..*

0..1

0 ..1

0..* 1..*

0..* 1..*

has_contributed0..*

employee_of

0..*

PERSONname : STRINGid : STRINGtitle : STRINGphone : STRINGfax : STRINGemail : STRINGurl : STRING

0..*0..*

1 ..*

1..1

0..*

1..1

0. .*

0..*

0..*

has_employee

0 ..*

ORGANIZATIONname : STRINGactivity_ type : STRINGphone : STRINGfax : STRINGemail : STRINGurl : STRING

0..*

1..*

0..*0..*

0..*0 ..*

Experimentation Environment Data Model

Common aspects of an experiment

Process and data flow in an experiment

Annotations on an experiment

Page 12: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Owner

Empty

Literature

Extraction

Conversion

Q. Ctrl

DC Analys.

Sample

Treatment

Treated sample

Surface Scan Raw Data

Data CubeInterpretation

Photograph

Settings

Apparatus

Data Cube

Cerf. Tool

Ana Tool

Page 13: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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MacsLab Experiment

Page 14: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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VL-AM Front End

Page 15: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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VL Run Time System Features:

Data-flow-like experiments with modules Control parameters & read state Interact with the Grid layer

Interaction with VL RTS? Module developers: API End-users: None (transparent)

Page 16: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Module Skeleton API Principles

Module core shared lib. with entry points: Init(); Run();

Module Skeleton Services I/O stream lib. (`port' based) Data-type interface lib. Parameter & state access lib.

Page 17: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Communications

Module Module FIFO Stream

User code User code

Page 18: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Communications

ProcessProcess

VL-AM RTS

User code User codeGridFTPenabledHPSS

Page 19: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Vlab Testbed

VL-AMGlobus

NIKHEF

VL-AMGlobus

UvA

Glo

bus

VL-

AM

AMOLF Glo

bus

Glo

bus

VL-

AM

SARA

XXXXXXXX

XXXX

XXXXXXXX

XXXX

Other DB

External DB

Page 20: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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Status of the VL Prototype VL-AM RunTime System

Module skeleton and manager available

Communication via sockets and GridFTP

VL Front End VL assistant VL graphical editor

Page 21: Virtual Lab AMsterdam VLAMsterdam Abstract Machine Toolbox A.S.Z. Belloum, Z.W. Hendrikse, E.C. Kaletas, H. Afsarmanesh and L.O. Hertzberger Computer Architecture

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VLAM: a science portal for exp. analysis Workflow support for

Bio-informatics, Materials Scienceand Biomedical Simulation & Visualisation

Seamless access to distributed resources and content

Resource Management: based on Globus Content Management: VLAM middleware Current status: integrating first prototypes