Metadata management for distributed first principles calculations in VLab-A collaborative cyberinfrastructure for materials computation

Pedro R.C. da Silveira, Cesar R.S. da Silva, Renata M. Wentzcovitch

Research output: Contribution to journalArticlepeer-review

18 Scopus citations

Abstract

This paper describes the metadata and metadata management algorithms necessary to handle the concurrent execution of multiple tasks from a single workflow, in a collaborative service oriented architecture environment. Metadata requirements are imposed by the distributed workflow that calculates thermoelastic properties of materials at high pressures and temperatures. The scientific relevance of this workflow is also discussed. We explain the basic metaphor, the receipt, underlying the metadata management. We show the actual java representation of the receipt, and explain how it is converted to XML in order to be transferred between servers, and stored in a database. We also discuss how the collaborative aspect of user activity on running workflows could potentially lead to race conditions, how this affects requirements on metadata, and how these race conditions are precluded. Finally we describe an additional metadata structure, complementary to the receipts, that contains general information about the workflow.

Original languageEnglish (US)
Pages (from-to)186-198
Number of pages13
JournalComputer Physics Communications
Volume178
Issue number3
DOIs
StatePublished - Feb 1 2008

Bibliographical note

Funding Information:
This table contains the types of project supported by the system. Each line contains the specifications for one project type.

Keywords

  • Computational materials science
  • Distributed computing
  • First-principles calculations
  • Grid computing
  • Grids
  • Metadata
  • Metadata management

Fingerprint Dive into the research topics of 'Metadata management for distributed first principles calculations in VLab-A collaborative cyberinfrastructure for materials computation'. Together they form a unique fingerprint.

Cite this