Composing control flow and formula rules for computing on grids

We define computation on grids as the composition, through pushout constructions, of control flows, carried across adjacency relations between grid cells, with formulas updating the value of some attribute. The approach is based on the identification of a subcategory of attributed typed graphs suitable to the definition of pushouts on grids, and is illustrated in the context of the Cyberfilm visual language

High order direct Arbitrary-Lagrangian-Eulerian schemes on moving Voronoi meshes with topology changes

We present a new family of very high order accurate direct Arbitrary-Lagrangian-Eulerian (ALE) Finite Volume (FV) and Discontinuous Galerkin (DG) schemes for the solution of nonlinear hyperbolic PDE systems on moving 2D Voronoi meshes that are regenerated at each time step and which explicitly allow topology changes in time. The Voronoi tessellations are obtained from a set of generator points that move with the local fluid velocity. We employ an AREPO-type approach, which rapidly rebuilds a new high quality mesh rearranging the element shapes and neighbors in order to guarantee a robust mesh evolution even for vortex flows and very long simulation times. The old and new Voronoi elements associated to the same generator are connected to construct closed space--time control volumes, whose bottom and top faces may be polygons with a different number of sides. We also incorporate degenerate space--time sliver elements, needed to fill the space--time holes that arise because of topology changes. The final ALE FV-DG scheme is obtained by a redesign of the fully discrete direct ALE schemes of Boscheri and Dumbser, extended here to moving Voronoi meshes and space--time sliver elements. Our new numerical scheme is based on the integration over arbitrary shaped closed space--time control volumes combined with a fully-discrete space--time conservation formulation of the governing PDE system. In this way the discrete solution is conservative and satisfies the GCL by construction. Numerical convergence studies as well as a large set of benchmarks for hydrodynamics and magnetohydrodynamics (MHD) demonstrate the accuracy and robustness of the proposed method. Our numerical results clearly show that the new combination of very high order schemes with regenerated meshes with topology changes lead to substantial improvements compared to direct ALE methods on conforming meshes

Generic access to symbolic computing services

Symbolic computation is one of the computational domains that requires large computational resources. Computer Algebra Systems (CAS), the main tools used for symbolic computations, are mainly designed to be used as software tools installed on standalone machines that do not provide the required resources for solving large symbolic computation problems. In order to support symbolic computations an infrastructure built upon massively distributed computational environments must be developed. Building an infrastructure for symbolic computations requires a thorough analysis of the most important requirements raised by the symbolic computation world and must be built based on the most suitable architectural styles and technologies. The architecture that we propose is composed of several main components: the Computer Algebra System (CAS) Server that exposes the functionality implemented by one or more supporting CASs through generic interfaces of Grid Services; the Architecture for Grid Symbolic Services Orchestration (AGSSO) Server that allows seamless composition of CAS Server capabilities; and client side libraries to assist the users in describing workflows for symbolic computations directly within the CAS environment. We have also designed and developed a framework for automatic data management of mathematical content that relies on OpenMath encoding. To support the validation and fine tuning of the system we have developed a simulation platform that mimics the environment on which the architecture is deployed

Computational Aerodynamics on unstructed meshes

New 2D and 3D unstructured-grid based flow solvers have been developed for simulating steady compressible flows for aerodynamic applications. The codes employ the full compressible Euler/Navier-Stokes equations. The Spalart-Al Imaras one equation turbulence model is used to model turbulence effects of flows. The spatial discretisation has been obtained using a cell-centred finite volume scheme on unstructured-grids, consisting of triangles in 2D and of tetrahedral and prismatic elements in 3D. The temporal discretisation has been obtained with an explicit multistage Runge-Kutta scheme. An "inflation" mesh generation technique is introduced to effectively reduce the difficulty in generating highly stretched 2D/3D viscous grids in regions near solid surfaces. The explicit flow method is accelerated by the use of a multigrid method with consideration of the high grid aspect ratio in viscous flow simulations. A solution mesh adaptation technique is incorporated to improve the overall accuracy of the 2D inviscid and viscous flow solutions. The 3D flow solvers are parallelised in a MIMD fashion aimed at a PC cluster system to reduce the computing time for aerodynamic applications. The numerical methods are first applied to several 2D inviscid flow cases, including subsonic flow in a bump channel, transonic flow around a NACA0012 airfoil and transonic flow around the RAE 2822 airfoil to validate the numerical algorithms. The rest of the 2D case studies concentrate on viscous flow simulations including laminar/turbulent flow over a flat plate, transonic turbulent flow over the RAE 2822 airfoil, and low speed turbulent flows in a turbine cascade with massive separations. The results are compared to experimental data to assess the accuracy of the method. The over resolved problem with mesh adaptation on viscous flow simulations is addressed with a two phase mesh reconstruction procedure. The solution convergence rate with the aspect ratio adaptive multigrid method and the direct connectivity based multigrid is assessed in several viscous turbulent flow simulations. Several 3D test cases are presented to validate the numerical algorithms for solving Euler/Navier-Stokes equations. Inviscid flow around the M6 wing airfoil is simulated on the tetrahedron based 3D flow solver with an upwind scheme and spatial second order finite volume method. The efficiency of the multigrid for inviscid flow simulations is examined. The efficiency of the parallelised 3D flow solver and the PC cluster system is assessed with simulations of the same case with different partitioning schemes. The present parallelised 3D flow solvers on the PC cluster system show satisfactory parallel computing performance. Turbulent flows over a flat plate are simulated with the tetrahedron based and prismatic based flow solver to validate the viscous term treatment. Next, simulation of turbulent flow over the M6 wing is carried out with the parallelised 3D flow solvers to demonstrate the overall accuracy of the algorithms and the efficiency of the multigrid method. The results show very good agreement with experimental data. A highly stretched and well-formed computational grid near the solid wall and wake regions is generated with the "inflation" method. The aspect ratio adaptive multigrid displayed a good acceleration rate. Finally, low speed flow around the NREL Phase 11 Wind turbine is simulated and the results are compared to the experimental data

A Nitsche-based cut finite element method for a fluid--structure interaction problem

We present a new composite mesh finite element method for fluid--structure interaction problems. The method is based on surrounding the structure by a boundary-fitted fluid mesh which is embedded into a fixed background fluid mesh. The embedding allows for an arbitrary overlap of the fluid meshes. The coupling between the embedded and background fluid meshes is enforced using a stabilized Nitsche formulation which allows us to establish stability and optimal order \emph{a priori} error estimates, see~\cite{MassingLarsonLoggEtAl2013}. We consider here a steady state fluid--structure interaction problem where a hyperelastic structure interacts with a viscous fluid modeled by the Stokes equations. We evaluate an iterative solution procedure based on splitting and present three-dimensional numerical examples.Comment: Revised version, 18 pages, 7 figures. Accepted for publication in CAMCo

A Fourth-Order Adaptive Mesh Refinement Algorithm for the Multicomponent, Reacting Compressible Navier-Stokes Equations

In this paper we present a fourth-order in space and time block-structured adaptive mesh refinement algorithm for the compressible multicomponent reacting Navier-Stokes equations. The algorithm uses a finite volume approach that incorporates a fourth-order discretization of the convective terms. The time stepping algorithm is based on a multi-level spectral deferred corrections method that enables explicit treatment of advection and diffusion coupled with an implicit treatment of reactions. The temporal scheme is embedded in a block-structured adaptive mesh refinement algorithm that includes subcycling in time with spectral deferred correction sweeps applied on levels. Here we present the details of the multi-level scheme paying particular attention to the treatment of coarse-fine boundaries required to maintain fourth-order accuracy in time. We then demonstrate the convergence properties of the algorithm on several test cases including both nonreacting and reacting flows. Finally we present simulations of a vitiated dimethyl ether jet in 2D and a turbulent hydrogen jet in 3D, both with detailed kinetics and transport

Enhancing speed and scalability of the ParFlow simulation code

Regional hydrology studies are often supported by high resolution simulations of subsurface flow that require expensive and extensive computations. Efficient usage of the latest high performance parallel computing systems becomes a necessity. The simulation software ParFlow has been demonstrated to meet this requirement and shown to have excellent solver scalability for up to 16,384 processes. In the present work we show that the code requires further enhancements in order to fully take advantage of current petascale machines. We identify ParFlow's way of parallelization of the computational mesh as a central bottleneck. We propose to reorganize this subsystem using fast mesh partition algorithms provided by the parallel adaptive mesh refinement library p4est. We realize this in a minimally invasive manner by modifying selected parts of the code to reinterpret the existing mesh data structures. We evaluate the scaling performance of the modified version of ParFlow, demonstrating good weak and strong scaling up to 458k cores of the Juqueen supercomputer, and test an example application at large scale.Comment: The final publication is available at link.springer.co

Application of service composition mechanisms to Future Networks architectures and Smart Grids

Aquesta tesi gira entorn de la hipòtesi de la metodologia i mecanismes de composició de serveis i com es poden aplicar a diferents camps d'aplicació per a orquestrar de manera eficient comunicacions i processos flexibles i sensibles al context. Més concretament, se centra en dos camps d'aplicació: la distribució eficient i sensible al context de contingut multimèdia i els serveis d'una xarxa elèctrica intel·ligent. En aquest últim camp es centra en la gestió de la infraestructura, cap a la definició d'una Software Defined Utility (SDU), que proposa una nova manera de gestionar la Smart Grid amb un enfocament basat en programari, que permeti un funcionament molt més flexible de la infraestructura de xarxa elèctrica. Per tant, revisa el context, els requisits i els reptes, així com els enfocaments de la composició de serveis per a aquests camps. Fa especial èmfasi en la combinació de la composició de serveis amb arquitectures Future Network (FN), presentant una proposta de FN orientada a serveis per crear comunicacions adaptades i sota demanda. També es presenten metodologies i mecanismes de composició de serveis per operar sobre aquesta arquitectura, i posteriorment, es proposa el seu ús (en conjunció o no amb l'arquitectura FN) en els dos camps d'estudi. Finalment, es presenta la investigació i desenvolupament realitzat en l'àmbit de les xarxes intel·ligents, proposant diverses parts de la infraestructura SDU amb exemples d'aplicació de composició de serveis per dissenyar seguretat dinàmica i flexible o l'orquestració i gestió de serveis i recursos dins la infraestructura de l'empresa elèctrica.Esta tesis gira en torno a la hipótesis de la metodología y mecanismos de composición de servicios y cómo se pueden aplicar a diferentes campos de aplicación para orquestar de manera eficiente comunicaciones y procesos flexibles y sensibles al contexto. Más concretamente, se centra en dos campos de aplicación: la distribución eficiente y sensible al contexto de contenido multimedia y los servicios de una red eléctrica inteligente. En este último campo se centra en la gestión de la infraestructura, hacia la definición de una Software Defined Utility (SDU), que propone una nueva forma de gestionar la Smart Grid con un enfoque basado en software, que permita un funcionamiento mucho más flexible de la infraestructura de red eléctrica. Por lo tanto, revisa el contexto, los requisitos y los retos, así como los enfoques de la composición de servicios para estos campos. Hace especial hincapié en la combinación de la composición de servicios con arquitecturas Future Network (FN), presentando una propuesta de FN orientada a servicios para crear comunicaciones adaptadas y bajo demanda. También se presentan metodologías y mecanismos de composición de servicios para operar sobre esta arquitectura, y posteriormente, se propone su uso (en conjunción o no con la arquitectura FN) en los dos campos de estudio. Por último, se presenta la investigación y desarrollo realizado en el ámbito de las redes inteligentes, proponiendo varias partes de la infraestructura SDU con ejemplos de aplicación de composición de servicios para diseñar seguridad dinámica y flexible o la orquestación y gestión de servicios y recursos dentro de la infraestructura de la empresa eléctrica.This thesis revolves around the hypothesis the service composition methodology and mechanisms and how they can be applied to different fields of application in order to efficiently orchestrate flexible and context-aware communications and processes. More concretely, it focuses on two fields of application that are the context-aware media distribution and smart grid services and infrastructure management, towards a definition of a Software-Defined Utility (SDU), which proposes a new way of managing the Smart Grid following a software-based approach that enable a much more flexible operation of the power infrastructure. Hence, it reviews the context, requirements and challenges of these fields, as well as the service composition approaches. It makes special emphasis on the combination of service composition with Future Network (FN) architectures, presenting a service-oriented FN proposal for creating context-aware on-demand communication services. Service composition methodology and mechanisms are also presented in order to operate over this architecture, and afterwards, proposed for their usage (in conjunction or not with the FN architecture) in the deployment of context-aware media distribution and Smart Grids. Finally, the research and development done in the field of Smart Grids is depicted, proposing several parts of the SDU infrastructure, with examples of service composition application for designing dynamic and flexible security for smart metering or the orchestration and management of services and data resources within the utility infrastructure

Resource-based enactment and adaptation of workflows from activity diagrams

Workflow management deals with different types of dependencies among tasks, in particular data- and policy-driven. The ability to reason on dependencies of different type allows workflow designers to consider different alternatives, or to define customized flows, reducing non-determinism. We propose a resource-centered view, in which both data-dependency between tasks and plan-dependent ordering of tasks are expressed as production and consumption of resources. This view is translated into a rule-based formalism, expressed in terms of multi-set rewriting for workflow enactment. In turn, rules are themselves seen as resources, so that they are prone to the same rewriting process, in order to redefine process schemas. We show how workflows expressed as activity diagrams can be translated to the proposed formalism, exploiting enforced generative patterns applied to triple graph grammars, and how redefinition of workflow processes can occur through typical patterns of adaptation. We also discuss possible concrete syntaxes for the obtained rules