1. Dr Chris Maynard Application Consultant, EPCC c.maynard@ed.ac.uk@ed.ac.uk +44 131 650 5077 Muttering about metadata Report from the Metadata work group Review of QCDml

2. metadata Meta- Greek among, with, after, from Data Latin information Literally data about data Data –Gauge configuration –Ensemble of gauge configurations Metadata (MD) –How was data created –Format, machine, code, algorithm, physics 210-12/03/2009XML at light quarks @css

3. Why do we need metadata? Extreme example no metadata –Cfgs have random string names with no directory structure for different ensembles –Impossible to use Organise files –Into directories for ensembles –Give cfgs names with markov chain position Construct a scheme for the metadata –Rules for describing the data 310-12/03/2009XML at light quarks @css

4. A basic scheme Use “meaningful” filenames –Metadata is encoded into the names of the files and directories –Can have some structure or hierarchy –But not completely flexible –Example with three fields. What ordering? –gauge-action/volume/quark-mass –gauge-action/quark-mass/volume –What happens for 2+1 flavours –Not extensible 410-12/03/2009XML at light quarks @css

5. D52C202K3500U010010_LL3450X_FL3400X_CMesonT00T31  Old UKQCD meson correlator filename –What does X stand for?  Wilson, Rotated, Clover –Many different clover. Scheme broken –X means none of the above! D52C202K3500U010010_LL3450X_FL3400X_CMesonT00T31 Dynamical c SW =2.02 ≈ 2.0171 NP determined – no information 510-12/03/2009XML at light quarks @css A broken scheme

6. A better scheme Recreate data from MD –This is an very important requirement –Know what the data is – Data provenance Combination of IO parameters and code :^) –Implicit assumptions are recorded! :^) :^( –Version n cannot read version m :^( :^( –Code X cannot process MD from Code Y :^( Can we construct a general scheme? –Recreate data from MD? 610-12/03/2009XML at light quarks @css

7. Extensible schemes LQCD metadata is hierarchical –Rich structure –Metadata scheme has to reflect this –Extensible New metadata requires a new scheme –In extensible scheme –Old scheme is included in new one –Old metadata fits in new scheme –No need to refactor existing documents 710-12/03/2009XML at light quarks @css

8. Markup language Combines text and information about text –Presentational –text format (e.g. This slide) WISIWIG –Procedural –presentation of text, not WISIWIG –Tex, postscript –Descriptive or semantic –Labels fragments of text –No presentation or other interpretation mandated –SGML, XML, VML HTML has both procedural and descriptive elements 810-12/03/2009XML at light quarks @css

9. XML eXtensible Markup Language www.w3.org/XML –XML is for structuring data –XML looks a bit like HTML –XML is text, but isn't meant to be read –XML is verbose by design –XML is a family of technologies –XML is license-free, platform-independent and well-supported – happiness 910-12/03/2009XML at light quarks @css XML Web standard

10. XML II Semantic, eXtensible Markup language XML was designed to carry data, not to display data –Cf. with HTML, designed for displaying data. –Incompatible applications can exchange data wrapped in xml XML is just plain text User defined tags allow structure to be developed –Lattice QCD metadata is structured XML does not DO anything –You need an application for this XML schema –Defines a set of rules for the XML document 10-12/03/2009XML at light quarks @css10

11. Well formed XML 1110-12/03/2009XML at light quarks @css

12. XML schema What is XML schema? –Collection of rules for XML documents –Other schema languages, DTD, Relax NG, Schematron –An XML schema is itself an XML document Why do we need an XML schema? –Computers can read and understand XML IDs – 16 –Meaning of length is context dependent –Applications can know types, parse and processes XML data –Could just be an XSLT style sheet to transform XML in HTML and render a web page e.g. LDG web-client 1210-12/03/2009XML at light quarks @css

13. A word of caution XML is not magic –XML is not a solution –It is a useful tool –Not the only tool –We still have to use the tool Ideally produce metadata from code –What metadata? –What is standard/useful/implicit –Application has to do something with it 1310-12/03/2009XML at light quarks @css

14. Metacrap Not all aspects/connotations of metadata are good Metacrap: Putting the torch to seven straw-men of the meta-utopia http://www.well.com/~doctorow/metacrap.htm Amusing and valid critique of some MD ideas –But not all are relevant to this project 1410-12/03/2009XML at light quarks @css

15. International lattice data grid (ILDG) Lattice data is very expensive to generate Many groups now make data available –MILC, UKQCD, RBC, JLQCD, Adelaide group –Many others share data ILDG is representative of whole lattice community –MD working group (CMM is UK rep) –Middleware working group (MGB, RO [epcc]) 1510-12/03/2009XML at light quarks @css

16. Introducing QCDml XML schemata for gauge configuration MD Developed and maintained by MDWG –Design by committee – always a good idea Basic concept –MD describing an ensemble –MD describing a configuration belonging an ensemble 1610-12/03/2009XML at light quarks @css

17. QCDml Ensemble 1710-12/03/2009XML at light quarks @css

18. Physics 1810-12/03/2009XML at light quarks @css

19. Fermion action inheritance 1910-12/03/2009XML at light quarks @css

20. Example QCDml Ensemble 1 Name of schema (URI) 2 Using W3.org XML schema (URI) 3 Schema location for –a) named schema (URI) –b) Location of schema (URL) 4 Name of Ensemble (URI) 20XML at light quarks @css

21. Example QCDml Ensemble 1 Name of schema (URI) 2 Using W3.org XML schema (URI) 3 Schema location for –a) named schema (URI) –b) Location of schema (URL) 4 Name of Ensemble (URI) 21XML at light quarks @css

22. Example QCDml Ensemble 1 Name of schema (URI) 2 Using W3.org XML schema (URI) 3 Schema location for –a) named schema (URI) –b) Location of schema (URL) 4 Name of Ensemble (URI) 22XML at light quarks @css

23. Example QCDml Ensemble 1 Name of schema (URI) 2 Using W3.org XML schema (URI) 3 Schema location for –a) named schema (URI) –b) Location of schema (URL) 4 Name of Ensemble (URI) 23XML at light quarks @css

24. Example quark action 2410-12/03/2009XML at light quarks @css

25. QCDml Config 2510-12/03/2009XML at light quarks @css

26. Markov Step 2610-12/03/2009XML at light quarks @css

27. Name hierarchy Unique name in for ensemble in ILDG namespace Ensemble Config Replica catalogue Actual file instances Multiple copies 2710-12/03/2009XML at light quarks @css

28. Algorithm General scheme too complex Algorithmic MD can belong to ensemble or config. Either name value pairs Or import another schema –Lives in separate namespace 28XML at light quarks @css

29. Namespaces Allow another namespace to be imported here Application processing QCDml can ignore this namespace Can include all metadata into XML IDs Local applications can be alg schema aware, but ignore non-local ones 2910-12/03/2009XML at light quarks @css

30. Alg Namespace example Imported namespace has it’s own schema Imported schema is not in default namespace, so has a prefix All elements belonging to this namespace use this prefix 3010-12/03/2009XML at light quarks @css

31. Data format ILDG specified format –All gauge configurations in the same format Based on NERSC data layout SciDAC LIME records UKQCD perspective :^( –CPS cannot do this :^( :^) –Chroma can :^) –qdp++ tools exist for conversion etc 3110-12/03/2009XML at light quarks @css

32. How to generate QCDml Ensemble MD requires a human –Use schema aware tool (cmm uses XMLspy) –Take existing XML ID and hack –Not that hard, only once per ensemble Config XML –Post-processing on QCDOC –Example of DWF data 3210-12/03/2009XML at light quarks @css

33. DWF data CPS on QCDOC writes –Data in NERSC format –VML files containing MD –Parameters of objects –Effective check-pointing –Data stored with meaningful path- and filenames –Includes binary and source code version Satisfies important constraint :^) –Recreate data from Metadata :^) 3310-12/03/2009XML at light quarks @css

34. From one scheme to another Series of scripts and utilities can do conversion –qdp++ –cmm –/host/cmaynard/tools/scripts Utilities compiled for qcdocx –Conversion and submit to grid 3410-12/03/2009XML at light quarks @css

35. Scripts Data conversion and XML chunks are built by scripts makeQCDmlConfig.sh glues XML together dataSet.sh contains dataset specifications –Plus sundries 3510-12/03/2009XML at light quarks @css

36. Chris MaynardILDG 13 December 5 200836 Problems with XML Lattice QCD (meta)data is really mathematics –XML is not really ideal for storing this data QCDml has defined common names for etc –Even WilsonAction has more than one common usage –Kappa versus mass Algorithm metadata is too complex for common names –Not really defined in the metadata –Unstructured parameter values included This is OK because –an ensemble is defined by the action –not the algorithm used to generate it Extending to propagators and correlators is hard for the same reason as defining the algorithm

37. Chris MaynardILDG 13 December 5 200837 We need an application XML does not DO anything For it to be useful we need to do something with it! –What do we want to do with it? –Is QCDml good for this purpose –QCDml design focused on searching the metadata catalogue –This was probably a good idea! Xpath used to query XML databases –Basic tools/APIs exist for constructing queries –Cf. UKQCD DiGS GUI browser, LDG web-client and JLDG faceted navigation application Metadata capture –How do we create XML IDs? –Does any application actually write QCDml? –UKQCD does post-processing Data provenance –Does QCDml provide this? Hard-work

38. Chris MaynardILDG 13 December 5 200838 What next? QCDml seems to work OK –How much is it being used? We don’t have many applications that DO something with it  CMM’s Questions for ILDG –What do we want to do with metadata? –Do we have the right sort of metadata for this? –What tools or applications do we need? Someone then has to build them if we don’t ask, we don’t get!  Can we review QCDml usage to define what tools we need?

39. Work flow tools Graphical tools for linking work together –components could be … –Machine job submission tasks –The actual MC code –data logistics Now used by many areas of science, –particle physics experiments –chemistry Examples –Unicore –“my experiment” 10-12/03/2009XML at light quarks @css39

40. Topics for Discussion Technical –tools –Metadata capture –Data conversion –Use of QCDml –Data Curation, –Data provenance Sociological –Encouraging other groups to join –ILDG paper –Funding 10-12/03/2009XML at light quarks @css40

41. Finally 4110-12/03/2009XML at light quarks @css