Abstract
In this paper we report ourwork on the integration of existing scientific applications using Grid Services.We describe a general architecture that provides access to these applications via Web services-based application factories. Furthermore, we demonstrate how such services can interact with each other. These interactions enable a level of integration that assists the scientific application architect in leveraging applications running in heterogeneous runtime environments. Our architecture is implemented by using existing infrastructures and middleware, such as Web services, the Globus Toolkit, and the Java CoG Kit.We test our architecture on a thermochemistry application that provides a number of requirements, such as batch processing, interactive and collaborative steering, use of multiple platforms, visualization through large displays, and access via a portal framework. Besides the innovative use of the Grid and Web services, we have also provided a novel algorithmic contribution to scientific disciplines that use thermochemical tables. Specifically, we modified the original approach to constructing thermochemical tables to include an iterative process of refinement leading to increased accuracy; we are now implementing this approach. We have designed a portal for accessing the set of services provided, which include the display of network dependencies between the reactions a chemist may be interested in and interactive querying of associated species data.
This is a preview of subscription content, log in via an institution.
Buying options
Tax calculation will be finalised at checkout
Purchases are for personal use only
Learn about institutional subscriptionsPreview
Unable to display preview. Download preview PDF.
References
Apache AXIS. http://xml.apache.org/axis/.
Condor home page. http://www.cs.wisc.edu/condor/.
The Castor Project. http://castor.exolab.org/.
The Global Grid Forum Web Page. http://www.gridforum.org.
The Jetspeed Webpage. http://jakarta.apache.org/jetspeed/.
Access Grid. http://www-fp.mcs.anl.gov/./accessgrid/default.htm.
R. Butler, D. Engert, I. Foster, C. Kesselman, S. Tuecke, J. Volmer, and V. Welch. A National-Scale Authentication Infrastructure. IEEE Computer, 33(12):60–66, 2000.
I. Foster, C. Kesselman, and S. Tuecke. The Anatomy of the Grid: Enabling Scalable Virtual Organizations. International Journal of Supercomputer Applications, 15(3), 2001. http://www.globus.org/research/papers/anatomy.pdf.
Ian Foster, Carl Kesselman, Jeffrey Nick, and Steven Tuecke. The Physiology of the Grid: An Open Grid Services Architecture for Distributed Systems Integration. http://www.globus.org/research/papers/ogsa.pdf, February 2002.
M. Frenklach. Combustion Chemistry, chapter 7 Modeling, pages 423–453. Springer-Verlag, 1984.
GraphViz: A Graph Vizualization Package. AT&T Research, http://www.research.att.com/sw/tools/graphviz/.
Grappa, A Java Graph Package. AT&T Research, http://www.research.att.com/~john/Grappa/grappa.html.
E. J. Whitehead Jr. and M. Wiggins. WebDAV: IETF Standard for Collaborative Authoring on the Web. IEEE Internet Computing, 2(5):34, September-October 1998.
Sriram Krishnan, Patrick Wagstrom, and Gregor von Laszewski. GSFL: A Workflow Framework for Grid Services. In Preprint ANL/MCS-P980-0802, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, IL 60439, U.S.A., 2002.
Jr. M.W. Chase. NIST-JANAF Thermochemical Tables. Fourth Edition. Journal of Physical and Chemical Reference, (Monograph 9), 1998.
Carmen M. Pancerella, Larry Rahn, and Christine Yang. The Diesel Combustion Collaboratory: Combustion Researchers Collaborating over the Internet. In Proceedings of SC99, Portland, OR, November 13–19 1999. http://www.supercomp.org/sc99/.
B. Ruscic, M. Litorja, and R. L. Asher. Ionization Energy of Methylene Revisited: Improved Values for the Enthalpy of Formation of CH2 and the Bond Energy of CH3 via Simultaneous Solution of the Local Thermochemical Network. J. Phys. Chem. A., 103:8625–8633, 1999.
B. Ruscic, J. V. Michael, P. C. Redfern, L. A. Curtiss, and K. Raghavachari. Simultaneous Adjustment of Experimentally Based Enthalpies of Formation of CF3X, X = nil, H, Cl, Br, I, CF3, CN, and a Probe of G3 Theory. J. Phys. Chem. A., 102:10889–10899, 1998.
SciDAC. http://www.scidac.org/.
Gregory P. Smith, David M. Golden, Michael Frenklach, Nigel W. Moriarty, Boris Eiteneer, Mikhail Goldenberg, C. Thomas Bowman, Ronald K. Hanson, Soonho Song, William, C. Gardiner, Jr., Vitali V. Lissianski, and Zhiwei Qin. Gri-Mech: Thermodynamic Data at 298 K, of the Standard Enthalpies of Formation for Radical Species.http://www.me.berkeley.edu/gri mech/data/thermo table.html.
Gregor von Laszewski and Ian Foster. Grid Infrastructure to Support Science Portals for Large Scale Instruments. In Proceedings of the Workshop Distributed Computing on the Web (DCW), pages 1–16. University of Rostock, Germany, 21–23 June 1999. (Invited Talk).
Gregor von Laszewski, Ian Foster, Jarek Gawor, and Peter Lane. A Java Commodity Grid Kit. Concurrency and Computation: Practice and Experience, 13(8–9):643–662, 2001.
Gregor von Laszewski, Ian Foster, Jarek Gawor, Peter Lane, Nell Rehn, and Mike Russell. Designing Grid-based Problem Solving Environments and Portals. In 34th Hawaiian International Conference on System Science, Maui, Hawaii, 3-6 January 2001. http://www.mcs.anl.gov/~laszewsk/papers/cog-pse-.nal.pdf, http://computer.org/Proceedings/hicss/0981/volume%209/0981toc.htm.
Gregor von Laszewski, Jarek Gawor, Carlos J. Pe na, and Ian Foster. InfoGram: A Peer-to-Peer Information and Job Submission Service. In Proceedings of the 11th Symposium on High Performance Distributed Computing, Edinbrough, U.K., 24–26 July 2002.
Gregor von Laszewski, Gail Pieper, and Patrick Wagstrom. Performance Evaluation and Characterization of Parallel and Distributed Computing Tools, chapter Gestalt of the Grid. Wiley Book Series on Parallel and Distributed Computing. to be published 2002.
Gregor von Laszewski, Kazuyuki Shudo, and Yoichi Muraoka. Grid-based Asynchronous Migration of Execution Context in Java Virtual Machines. In Arndt Bode, Thomas Ludwig, Wolfgang Karl, and Roland Wismüller, editors, Proceedings of EuroPar 2000, volume 1900 of Lecture Notes in Computer Science, pages 22–34, Munich, Germany, 29 August-1 September 2000. Springer. (Invited Talk).
WebBook: A gateway to the data collections of the National Institute of Standards and Technology. NIST, http://webbook.nist.gov/.
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2002 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
von Laszewski, G. et al. (2002). A Grid Service-Based Active Thermochemical Table Framework. In: Parashar, M. (eds) Grid Computing — GRID 2002. GRID 2002. Lecture Notes in Computer Science, vol 2536. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-36133-2_3
Download citation
DOI: https://doi.org/10.1007/3-540-36133-2_3
Published:
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-00133-1
Online ISBN: 978-3-540-36133-6
eBook Packages: Springer Book Archive