Abstract
Modern scientific applications often need to be distributed across Grids. Increasingly applications rely on services, such as job submission, data transfer or data portal services. We refer to such services as Grid services. While the invocation of Grid services could be hard coded in theory, scientific users want to orchestrate service invocations more flexibly. In enterprise applications, the orchestration of web services is achieved using emerging orchestration standards, most notably the Business Process Execution Language (BPEL). We describe our experience in orchestrating scientific workflows using BPEL. We have gained this experience during an extensive case study that orchestrates Grid services for the automation of a polymorph prediction application. Using this example, we explain the extent with which the BPEL language supports the definition of scientific workflows. We then describe the reliability, performance and scalability that can be achieved by executing a complex scientific workflow with ActiveBPEL, an industrial strength but freely available BPEL engine.
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K. Amin, G.v. Laszewski, M. Hategan, N.J. Zaluzec, S. Hampton and A. Rossi, “GridAnt: A client-controllable Grid workflow system”, in D. King and A. Dennis (eds.), Proc. of the 37th Annual Hawaii International Conference on System Sciences (HICSS'04) – Track 7. IEEE Computer Society, 2004, p. 70210c.
T. Andrews, F. Cubera, H. Dholakia, Y. Goland, J. Klein, F. Leymann, K. Liu, D. Roller, D. Smith, S. Thatte, I. Trickovic and S. Weerawarana, Business Process Execution Language for Web Services Version 1.1. OASIS, http://ifr.sap.com/bpel4ws, 2003.
A. Arkin, S. Askary, S. Fordin, W. Jekeli, K. Kawaguchi, D. Orchard, S. Pogliani, K. Riemer, S. Struble, P. Takacsi-Nagi, I. Trickovic and S. Zimek, Web Service Choreography Interface (WSCI) 1.0. W3C, http://www.w3.org/TR/wsci, 2002.
S. Bailliez, et al., “Ant User Manual”, Apache Jakarta, http://jakarta.apache.org/ant, 2005.
K. Beck and E. Gamma, “Test-infected: Programmers love writing tests”, in More Java Gems. Cambridge University Press, New York, New York, USA, pp. 357–376, 2000.
B. Butchart, C. Chapman and W. Emmerich, “OGSA First Impressions: A case study using the open Grid service architecture”, in S. Cox (ed.), Proceedings of the UK E-Science All Hands Meeting, Nottingham, EPSRC, 2003, pp. 810–816.
J. Cao, S.A. Jarvis, S. Saini and G.R. Nudd, “GridFlow: Workflow management for Grid computing”, in: 3rd Int. Symposium on Cluster Computing and the Grid, IEEE Computer Society, 2003, pp. 198–205.
R. Chinnici, M. Gudgin, J.-J. Moreau, J. Schlimmer and S. Weerawarana, Web Services Description Language. W3c working draft, W3C, http://www.w3.org/TR/wsdl20, 2004.
E. Deelman, J. Blythe, Y. Gil, C. Kesselman, G. Mehta, K. Vahi, K. Blackburn, A. Lazzarini, A. Arbree, R. Cavanaugh and S. Koranda, Mapping abstract complex workflows onto Grid environments. Journal of Grid Computing Vol. 1, No. 1, pp. 25–39, 2003.
G. Drinkwater, K. Kleese, S. Sufi, L. Blanshard, A. Manandhar, R. Tyer, K. O'Neill, M. Doherty, M. Williams and A. Woolf, “The CCLRC data portal”, in S. Cox (ed.), Proc. of the UK e-Science All Hands Meeting. EPSRC, UK, 2003, pp. 540–547. ISBN 1-904425-11-9.
J. Frey, “Condor DAGMan: Handling Inter-Job Dependencies”, Technical report, University of Wisconsin, Dept. of Computer Science, http://www.cs.wisc.edu/condor/dagman, 2002.
A. Fuggetta, “Software process: A Roadmap”, in The Future of Software Engineering, ACM Press New York, New York, USA, 2000, pp. 25–34.
E. Gamma and K. Beck, Contributing to Eclipse: Principles, Patterns and Plug-in. Addison-Wesley, 2004.
H. Garcia-Molina and K. Salem, “SAGAS”, in Proc. of ACM SIGMOD Annual Conference, 1987, pp. 249–259.
J.R. Holden, Z. Du and H.L. Ammon, “Prediction of possible crystal structures for C-, H-, N-, O-, and F-containing organic compounds”, Journal of Computational Chemistry Vol. 14, No. 4, pp. 422–437, 1993.
S. Krishnan, P.W. and G. v. Laszewski, “GSFL: A workflow framework for Grid services”, Technical Report Preprint ANL/MCS-P980-0802, Argonne National Laboratory, 2002.
W. Lee, S. McGough, S. Newhouse and J. Darlington, “A standard based approach to job submission through web services”, in S. Cox (ed.) Proc. of the UK e-Science All Hands Meeting, Nottingham. EPSRC, UK, 2004, pp. 901–905. ISBN 1-904425-21-6.
F. Leymann and D. Roller, “Business process management with FlowMark”, in Compcon Spring ‘94: Digest of Papers. IEEE Computer Society, 1994, pp. 230–234.
F. Leymann, “Web services flow language”, Technical report, IBM, 2001.
S. Majithia, M. Shields, I. Taylor and I. Wang, “Triana: A graphical web service composition and execution toolkit”, in Proc. of the 4th Int. Conference on Web Services. IEEE Computer Society, 2004, pp. 514–524.
W.D.S. Motherwell, H.L. Ammon, J.D.D.A. Dzyabchenko, P. Erk, A. Gavezzotti, D.W.M. Hofmann, F.J.J. Leusen, J.P.M. Lommerse, W.T.M. Mooij, S.L. Price, H. Scheraga, B. Schweizer, M.U. Schmidt, B.P. v. Eijck, P. Verwer and D.E. Williams, “Crystal structure prediction of small organic molecules: A second blind test”, Acta Crystallographica Section B-Structural Science, Vol. 58, pp. 647–661, 2002.
P. Murray-Rust, “Chemical markup language”, World Wide Web Journal, Vol. 2, No. 4, pp. 135–147, 1997.
H. Nowell, B. Butchart, D.S. Coombes, S.L. Price, W. Emmerich and C.R.A. Catlow, “Increasing the scope for polymorph prediction using e-Science”, in S. Cox (ed.) Proc of the 2004 UK E-Science All Hands Meeting, Nottingham, Engineering and Physical Science Research Council, UK, 2004, pp. 968–971.
T. Oinn, M. Addis, J. Ferris, D. Marvin, M. Senger, M. Greenwood, T. Carver, K. Glover, M.R. Pocock, A. Wipat and P. Li, “Taverna: A tool for the composition and enactment of bioinformatics workflows”, Bioinformatics Journal Vol. 20, No. 17, pp. 3045–3054, 2004.
L.J. Osterweil, “Software processes are software too”, in Proc. of the 9th Int. Conf. on Software Engineering. IEEE Computer Society, 1987, pp. 2–13.
C. Peltz, “Web services orchestration and choreography”, IEEE Computer, Vol. 36, No. 10, pp. 46–52, 2003.
M.L. Peterson, S.L. Morissette, C. McNulty, A. Goldsweig, P. Shaw, M. LeQuesne, J. Monagle, N.N. Encina, J. Marchionna, A.A. Johnson, J. Gonzalez-Zugasti, A.V. Lemmo, S.J. Ellis, M.J. Cima, and O. Almarsson, “Iterative high-throughput polymorphism studies on acetaminophen and an experimentally derived structure for form III”, Journal of the American Chemical Society, Vol. 124, No. 37, pp. 10958–10959, 2002.
S.L. Price, “The computational prediction of pharmaceu tical crystal structures and polymorphism”, Advanced Drug Delivery Reviews, Vol. 56, No. 3, pp. 301–319, 2004.
I. Taylor, M. Schields, I. Wang and O. Rana, “Triana applications within Grid computing and peer to peer environments”, Journal of Grid Computing, Vol. 1, No. 2, pp. 199–217, 2003.
S. Thatte, “XLANG: Web Services for Business Process Design”, Technical report, Microsoft, 2001.
D.J. Willock, S.L. Price, M. Leslie and C.R.A. Catlow, “The relaxation of molecular crystal structures using a distributed multipole electrostatic model”, Journal of Computational Chemistry, Vol. 16, No. 5, pp. 628–647, 1995.
M. Zelkowitz and D. Wallace, “Experimental models for validating technology”, IEEE Computer, Vol. 31, No. 5, pp. 23–31, 1998.
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*The work has been funded by the UK EPSRC through grants GR/R97207/01 (e-Materials) and GR/S90843/01 (OMII Managed Programme).
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Emmerich, W., Butchart, B., Chen, L. et al. Grid Service Orchestration Using the Business Process Execution Language (BPEL). J Grid Computing 3, 283–304 (2005). https://doi.org/10.1007/s10723-005-9015-3
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DOI: https://doi.org/10.1007/s10723-005-9015-3