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Computer Applications in Science & Engineering

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OVERVIEW

The CASE department main goal is to enhance the links between two major contemporary fields of science and technology: applied science community and high performance computing experts. On one hand, the applied science community shows an increasing need of computing power. On the other hand, the high performance computational science experts have the knowledge and experience to get the best from supercomputing facilities. The evident beneficiaries of this interdisciplinary collaboration are: High-tech industry and Academia. Thus, the CASE department strongly contributes to the insertion of the BSC-CNS in the society.

In case you want to visit us, follow this link.

COMPUTER SCIENCES DEPARTMENT DIRECTOR

arrowCela, José MŞ



OBJECTIVES

The department researchers develop computational tools that are capable of simulating highly complex problems in science and engineering. From its conception, these tools must be seamlessly adapted to run onto high-end parallel supercomputers with the best possible efficiency. We cover all computational tools layers: physical models, numerical methods and advanced parallel programming techniques. In order to achieve these objectives the CASE department is a highly multidisciplinary department being teamwork a must.

The scope of the Department action depends on the research problems faced, ranging from in-house development up to cooperation with third parties. Regarding in-house applications, the Alya System for Large Scale Computational Mechanics is our main simulation development tool for complex multi-physics problems. Alya is a code written following the highest standards in accuracy, efficiency and scalability used in a large number of application fields. For more information, follow the link.

Additional groups of applications are developed for a wide range of scientific/industry areas as: geophysics, extension of mathematical kernels (ESSL and BLAS libraries), computational quantum mechanics and social simulation. For specific top ranked third-party applications, CASE members work on code performance optimization and parallelization, with the final objective of helping developers to port their applications to supercomputers.

A strategic key issue is to work not only for present supercomputers but also for future ones. Among the CASE Department research lines are those devoted to analyze future architectures and its potential as platforms for supercomputing. As an example, Cell BE processors can be considered as one of the most promising attempts.



RESEARCH LINES

Although the high interactivity between the CASE scientists, the department research lines fall naturally in two main groups:

Physical and Numerical Modelling
arrowGuillaume Houzeaux (team leader)

These lines cover all the range of techniques required to simulate a physical problem, usually governed by partial or ordinary differential equations, remarkably:
  • Numerical methods: finite element and finite difference methods
  • Stabilization techniques: variational multi-scale, strong gradients and shock treatment
  • Solution strategies: monolithic and fractional schemes, explicit and implict methods, multigrid, preconditioners
  • Mesh generation and adaptivity
  • Mathematical modelling of physical processes
  • Optimization techniques: response surface methods, adjoint formulation
  • Domain decomposition techniques: Chimera, non-overlapping meshes
  • Turbulent modellization

High Performance Computational Mechanics
arrowMariano Vázquez (team leader)

These topics can be divided in two. Firstly, the research lines that cover the application of HPC concepts to engineering and scientific problems, strongly based on computer science methods, such us:
  • Efficient implementation in a computational mechanics code of: distributed/shared memory parallelization with MPI/OpenMP.
  • Code performance analysis and optimization at algorithmic level.
  • Architectures (PowerPC, Cell, Altix) dependent optimizations (VMX, Cache dependent).

Secondly, the science and technology applied lines developing particular techniques adapted to each situation. These lines are those with the direct interaction with applied science and technology and are mostly driven by industry needs. By application fields, they are:

Artificial Societies and Social Simulation

The department has recently started a new research line focused on the design of applications specially designed for their use in Social Sciences and policy analysis areas. The group is developing a new simulator capable of executing Agent-Based Models of human societies in a HPC environment, in order to explore:


  • Emergence of behavioural patterns in human societies, understood as complex systems.
  • Interaction between societies and their relationship with environment and landscape.
  • Impact of change in human groups and population dynamics (both ancient and present).
  • Design of artificial societies as models to understand human behaviour.
  • Methodological and theoretical foundations of social simulation.



These topics are analysed from a multidisciplinary approach, as CASE joins efforts with research groups belonging to different disciplines, with diverse perspectives of social interaction  (i.e. Archaeology, Demography, Economy, Heritage, History and Sociology).




PEOPLE
arrowAKGUN, TANER , RESEARCHER
arrowAMOROS HUGET, OSCAR , VISITOR
arrowARAYA, MAURICIO , SENIOR RESEARCHER
arrowARIS, RUTH , RESEARCHER
arrowBEA, EDGAR ALEJANDRO , RESEARCHER
arrowBEVAN, RHODRI , HPC VISITOR
arrowCALMET, HADRIEN , RESEARCHER
arrowCATALA COIT, MIQUEL , RESEARCHER
arrowCECILE LESAGE, ANNE , SENIOR RESEARCHER
arrowCELA ESPIN, JOSE MARIA , COMPUTER APPLICATIONS IN SCIENCE AND ENGINEERING DIRECTOR
arrowDE LA CRUZ MARTINEZ, RAUL , RESEARCHER
arrowDE LA PUENTE, JOSEP , SENIOR RESEARCHER
arrowEGUZKITZA, ANE BEATRIZ , RESIDENT STUDENT
arrowFARRES, ALBERT , RESEARCHER
arrowGRIMA TORRES, ROGELI , SENIOR RESEARCHER
arrowHANZICH, MAURICIO , SENIOR RESEARCHER
arrowHOUZEAUX, GUILLAUME , PHYSICAL AND NUMERICAL MODELLING GROUP MANAGER
arrowHUHS, GEORG , RESEARCHER
arrowJOWKAR, MOHAMMAD , RESEARCHER IN PARALLEL NUMERICAL SIMULATION
arrowKOLDAN, JELENA , RESIDENT STUDENT
arrowLAFORTUNE, PIERRE , RESEARCHER
arrowMONTANOLA, CRISTINA , RESIDENT STUDENT
arrowMORAGUES, MARGARIDA , RESEARCHER
arrowOWEN, HERBERT COPPOLA , SENIOR RESEARCHER
arrowOZELL, BENOIT , VISITOR
arrowOZELL, BENOIT , VISITOR
arrowPIC, CHANTAL , VISITOR
arrowRUBIO CAMPILLO, XAVIER , RESEARCHER
arrowRUBIO DALMAU, FELIX , RESEARCHER
arrowSAEZ POUS, XAVIER , RESEARCHER
arrowSAMANIEGO, CRISTOBAL AUGUSTO , STUDENT RESIDENT
arrowSOBA, ALEJANDRO , SENIOR RESEARCHER
arrowSUKUMARAN, SUJITH VISALAM , VISITOR
arrowTAYLOR, DONAL , HPC VISITOR
arrowVARADINOV, TANO , RESEARCHER
arrowVAZQUEZ, MARIANO , HIGH PERFORMANCE COMPUTATIONAL MECHANICS GROUP MANAGER
arrowVILLAR, PAULA , VISITOR


PUBLICATIONS AND COMMUNICATIONS


Publications

Journals

R. Aubry, G. Houzeaux, M. Vázquez, and J.M. Cela. Some useful strategies for unstructured edge-based solvers on shared memory machines. International Journal for Numerical Methods in Engineering, accepted, , July 2010.

X. Rubio. Teoria de jocs aplicada a la historia de la guerra moderna . Manuscrits. Revista d'Histňria Moderna, 27, pp. 143-160, September 2009.

X. Rubio. An archaeological study of Talamanca battlefield. Journal of Conflict Archaeology, 4, pp. 23-38, November 2008.

F. Courty, T. Roy, B. Koobus, M. Vázquez and A. Dervieux. Error analysis for P1-exact schemes. Int. J. Num. Meth. Fluids, Submitted paper. , October 2006.

A. Dervieux, M. Vázquez, L. Hascoet and B. Koobus. Optimization loops for shape and error control. CFD Journal, Submitted paper. Also published in Post-SAROD Indo-French Workshop, Bangalore, december 12-13 in "Recent Trends in Aerospace Design and Optimization", B. Uthup, S.P. Koruthu, R.K. Sharma, P. Priyadarshi Eds. pages 363-373, Tata-McGraw Hill, New Delhi, 2005 , October 2006.

G. Houzeaux and J. Príncipe. A Variational Subgrid Scale Model for Transient Incompressible Flows. Int. J. Comp. Fluid Dyn., Submitted, October 2006.

M. Vázquez, A. Dervieux and B. Koobus. A methodology for the shape optimization of flexible wings. Engineering Computations, 23. 4. , January 2006.

G. Houzeaux and R. Codina. Finite Element Modeling of the Lost Foam Casting Process Tackling Back-Pressure Effects. Int. J. Heat and Fluid Flow, 16 (5), 573-589 , October 2005.

R. Codina and G. Houzeaux. Numerical approximation of the heat transfer between domains separated by thin walls. Int. J. Num. Meth. Heat Fluid Flow, Submitted, October 2005.

G. Houzeaux and R. Codina. A Finite Element Method for the Solution of Rotary Pumps. Computers & Fluids, Submitted , October 2005.

G. Houzeaux and R. Codina. A Finite Element Model for the simulation of Lost Foam casting. Int. J. Num. Meth. Fluids, 46, 203-226 , October 2004.

G. Houzeaux and R. Codina. A Dirichlet/Neumann Domain Decomposition Method for Incompressible Turbulent Flows on Overlapping Subdomains. Computers & Fluids, 33 (5-6), 771-782 , October 2004.

M. Vázquez, B. Koobus and A. Dervieux. Multilevel optimisation of a supersonic aircraft. Finite Element in Analysis and Design, 40, 2101-2124. , January 2004.

M. Vázquez, M. Ravachol, F. Chalot and M. Mallet. Multigrid schemes applied to the Navier-Stokes equations for laminar and turbulent, incompressible and compressible flows: the robustness issue.. Int. J. Num. Meth. Fluids, 45 (5), 555-579 , January 2004.

J.R. Amores and G. Houzeaux. Simulación numérica de flujo sanguineo: una herramienta útil en cirugía vascular. Angiología, 55 (1), 55-63, October 2003.

G. Houzeaux and R. Codina. A Chimera method based on a Dirichlet/Neumann(Robin) coupling for the Navier-Stokes equations. Comp. Meth. Appl. Mech. Eng., 192 (31-32), 3343-3377, October 2003.

G. Houzeaux and R. Codina. An iteration-by-subdomain overlapping Dirichlet/Robin domain decomposition method for advection-diffusion problems. J. Comput. Appl. Math., 158 (2), 243-276, October 2003.

G. Houzeaux and R. Codina. Transmission conditions with constraints in finite element domain decomposition. Commun. Numer. Meth. Engng, 17 (39), 179-190 , February 2003.

O.C. Zienkiewicz, P.Nithiarasu, R. Codina , M. Vázquez and P. Ortiz.. The characteristic - based - split procedure: an efficient and accurate algorithm for fluid problems. Int. J. Num. Meth. Fluids, 31, 359-392 , January 1999.

A.Folch, M. Vázquez, R.Codina and J.Marti. A fractional step finite element method for the Navier-Stokes equations applied to magma chamber withdrawal.. Computer and Geosciences, 25, 263 - 275 , January 1999.

R. Codina, M. Vázquez and O.C. Zienkiewicz. A fractional step method for the solution of compressible Navier - Stokes equations. Computational Fluid Dynamics Review, Edited by M. Hafez and K. Oshima. Volume I. World Scientific , January 1999.

R. Codina, M. Vázquez and O.C. Zienkiewicz. A General Algorithm for Compressible and Incompressible Flow. Part III: The Semi - Implicit form. Int. J. Num. Meth. Fluids, 27, 13-32 , January 1998.

P.Nithiarasu, O.C. Zienkiewicz, B.V.K. Satya Sai, K. Morgan, R. Codina and M. Vázquez. Shock capturing viscosities for the general fluid mechanics algorithm. Int. J. Num. Meth. Fluids, 28, 1325-1353 , January 1998.

A.Folch, J.Marti, R.Codina and M. Vázquez. A numerical model for temporal variations during explosive central-vent eruptions. Journal of Geophysical Research, 103, 29, 20833 - 20899 , January 1998.

O.C. Zienkiewicz, K. Morgan, B.V.K. Satya Sai, R. Codina and M. Vázquez. A General Algorithm for Compressible and Incompressible Flow. Part II: Tests on the Explicit Form. Int. J. Num. Meth. Fluids, 20, 887-913 , January 1995.

Book chapters

R. Codina and G. Houzeaux. Implementation Aspects of Coupled Problems in CFD involving time. Promuval, In press , October 2006.

M. Vázquez, A. Dervieux and B. Koobus. Aeroelastic coupling in sonic boom optimisation of a supersonic aircraft . INRIA Sophia-Antipolis, Technical Report RR-4865 , June 2003.

M. Vázquez, B. Koobus, A. Dervieux, C. Farhat. Spatial discretization issues for the energy conservation in compressible flow problems on moving grids . INRIA Sophia-Antipolis, Technical Report RR-4742. , January 2003.

M. Vázquez, A. Dervieux, B. Koobus. Aerodynamical and sonic boom optimization of a supersonic aircraft . INRIA Sophia-Antipolis, Research Report, RR-4520. , January 2002.

M. Vázquez, R. Codina and O.C. Zienkiewicz. Numerical modelling of compressible laminar and turbulent flow: The CBS algorithm. CIMNE, UPC, Barcelona, CIMNE Monography No. 50 , April 1999.

R. Codina, M. Vázquez and O.C. Zienkiewicz. A fractional step method for the solution of the Compressible Navier - Stokes equations. CIMNE, UPC, Barcelona, CIMNE Report, No. 118., July 1997.

R. Codina, M. Vázquez and O.C. Zienkiewicz. A General Algorithm for Compressible and Incompressible Flows. The Semi - Implicit form. CIMNE, UPC, Barcelona, CIMNE Report, No. 108, February 1997.

M. Vázquez, R. Codina and O.C. Zienkiewicz. A fractional step method for the solution of the Navier - Stokes equations. CIMNE, UPC, Barcelona, CIMNE Report, No. 103 , October 1996.

International Conferences

S.Onggo, C. Montańola-Sales, J. Casanovas-Garcia. Performance analysis of parallel demographic simulation. Proceedings of the 2010 Winter Simulation Conference, (submitted) , December 2010.

X. Rubio, José Ma. Cela. Large-scale agent-based simulation in archaeology: an approach using High-performance computing. Computer Applications in Archaeology, Granada , April 2010.

A.M. Rosolen, S. Ordas, M. Vázquez and A.F. Frangi. Numerical schemes for the simulation of three-dimensional cardiac electrical propagation in patient-specific ventricular geometries. Egmond aan Zee (The Netherlands), European Conference on Computational Fluid Dynamics - ECCOMAS CFD 2006, September 2006.

Beatriz Otero, José M. Cela, Rosa Badia, Jesús Labarta. Performance Analysis of Domain Decomposition Applications Using Unbalanced Strategies in Grid Environments. 4th International Conference on Grid and Cooperative Computing, Lecture Notes in Computer Science, Vol. 3795, Springer-Verlag, December 2005.

Beatriz Otero, José M. Cela, Rosa Badia, Jesús Labarta. Data Distribution Strategies for Domain Decomposition Applications in Grid Environments. 6th International Conference on Algorithms and Architectures for Parallel Processing, Lecture Notes in Computer Science, Vol. 3719, Springer-Verlag, December 2005.

Beatriz Otero, Jose M. Cela, Rosa M. Badia, Jesus Labarta. A Domain Decomposition Strategy for GRID Environments. EuroPVM/MPI 2004, Budapest (Hungary), September 2004.

A. Dervieux, F. Courty, T. Roy, M. Vázquez and B. Koobus . Short course on optimization loops for shape and error control. Barcelona (Spain)., PROMUVAL Short Course on Multidisciplinary Modelling, Simulation and Validation in Aeronautics, Barcelona, june 28-29, 2004, to be published by CIMNE, Barcelona., June 2004.

M. Vázquez and A. Dervieux. Grid Computing in Genetic Algorithms: A POD-based scheme for Aerodynamic optimization in supersonic flows. Barcelona (Spain)., International Congress on Evolutionary Methods for Design, Optimization and Control with Applications to Industrial Problems, EUROGEN 2003, 15-17 sept. 2003, G. Bugeda, J.-A. Desideri, J. Periaux, M. Schoenauer, and G. Winter (Eds.), CIMNE, Barcelona. , September 2003.

L. Hascoet, M. Vázquez and A. Dervieux. Automatic Differentiation for Optimum Design, applied to Sonic Boom reduction. Montreal (Canada)., International Conference on Computational Science and its Applications, ICCSA'03, Montreal, Canada, V.Kumar et al., editors, LNCS 2668, pp 85--94, Springer, 2003 , January 2003.

M. Vázquez and A. Dervieux. Gradient smoothness issues in supersonic shape design. Heidelberg (Germany), Presented at the Workshop on Optimization in Partial Differential Equations and Applications, October 2002.

A. Dervieux, F. Courty, M. Vázquez and B. Koobus. Additive multilevel optimization and its application to sonic boom reduction. Jyvaskyla (Finland), JP60 - Numerical Methods for Scientific Computing. Variational Problems and Applications, E. Heikkola, Y. Kuznetsov, P. Neittaanmaki and O. Pironneau Eds., 31-44. , June 2002.

A. Dervieux, B. Koobus, C. Farhat, M. Vázquez, R. Carpentier, E. Schall. Numerical models for computing unsteady fast flows and their interaction with structures. Marseille, (France), West-East High Speed Flow Fields, D.E. Zeitoun, J. Periaux, J.-A. Desideri and M. Marini Eds, 110-119, CIMNE, Barcelona, 2002 , April 2002.

M. Vázquez, M. Ravachol and M. Mallet. Multigrid Applied to a Fully Implicit FEM Solver for Turbulent Incompressible Flows. Swansea, Wales (UK), Presented in the ECCOMAS 2001 Computational Fluid Dynamics Conference, September 2001.

M. Vázquez, G. Houzeaux and R. Codina. Chimera type domain decomposition methods applied to fractional step finite element. Barcelona (Spain)., Presented in the ECCOMAS 2000 Computational Fluid Dynamics Conference , September 2000.

M. Vázquez and R. Codina. Numerical Solution of the Navier Stokes Equations using a Splitting Technique with Multigrid Acceleration. Buenos Aires (Argentina), Presented in the 4th. World Congress on Computational Mechanics , June 1998.

P.Nithiarasu, O.C. Zienkiewicz, B.V.K. Satya Sai, K. Morgan, R. Codina and M. Vázquez.. Shock capturing viscosities for the general algorithm.. Tucson (USA), Presented in the X FEF International Conference , January 1998.

R. Codina, M. Vázquez and O.C. Zienkiewicz. An implicit fractional step finite element method for incompressible and compressible flows. Tucson (USA), Presented in the X FEF International Conference , January 1998.

R. Codina, M. Vázquez and O.C. Zienkiewicz. A fractional step method for compressible flows: boundary conditions and incompressible limit. Venice (Italy), Presented in the IX FEF International Conference, October 1995.

E. Onate, R. Codina and M. Vázquez. Cost-efficiency analysis of finite element solutions for high speed Euler flows. Stuttgart (Germany), Presented in the II European Conference on Computational Fluid Dynamics , September 1994.

 
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