Parallel algorithms for computational fluid dynamics on unstructured meshes

La simulació numèrica directa (DNS) de fluxos complexes és actualment una utopia per la majoria d'aplicacions industrials ja que els requeriments computacionals son massa elevats. Donat un flux, la diferència entre els recursos computacionals necessaris i els disponibles és cobreix mitjançant la modelització/simplificació d'alguns termes de les equacions originals que regeixen el seu comportament. El creixement continuat dels recursos computacionals disponibles, principalment en forma de super-ordinadors, contribueix a reduir la part del flux que és necessari aproximar. De totes maneres, obtenir la eficiència esperada dels nous super-ordinadors no és una tasca senzilla i, per aquest motiu, part de la recerca en el camp de la Mecànica de Fluids Computacional es centra en aquest objectiu. En aquest sentit, algunes contribucions s'han presentat en el marc d'aquesta tesis. El primer objectiu va ser el desenvolupament d'un codi de CFD de propòsit general i paral·lel, basat en la metodologia de volums finits en malles no estructurades, per resoldre problemes de multi-física. Aquest codi, anomenat TermoFluids (TF), té un disseny orientat a objectes i pensat per ser usat de forma altament eficient en els super-ordinadors actuals. Amb el temps, ha esdevingut pel grup una eina fonamental en projectes tant de recerca bàsica com d'interès industrial. En el context d'aquesta tesis, el treball s'ha focalitzat en el desenvolupament de dos de les llibreries més bàsiques de TermoFluids: i) La Basics Objects Library (BOL), que es una plataforma de software sobre la qual estan programades la resta de llibreries del codi, i que conté els mètodes algebraics i geomètrics fonamentals per la implementació paral·lela dels algoritmes de discretització, ii) la Linear Solvers Library (LSL), que conté un gran nombre de mètodes per resoldre els sistemes d'equacions lineals derivats de les discretitzacions. El primer capítol d'aquesta tesi conté les principals idees subjacents al disseny i la implementació de la BOL i la LSL, juntament amb alguns exemples i algunes aplicacions industrials. En els capítols posteriors hi ha una explicació detallada de solvers específics per algunes aplicacions concretes. En el segon capítol, es presenta un solver paral·lel i directe per la resolució de l'equació de Poisson per casos en els quals una de les direccions del domini té condicions d'homogeneïtat. En la simulació de fluxos incompressibles, l'equació de Poisson es resol almenys una vegada en cada pas de temps, convertint-se en una de les parts més costoses i difícils de paral·lelitzar del codi. El mètode que proposem és una combinació d'una descomposició directa de Schur (DDS) i una diagonalització de Fourier. La darrera descompon el sistema original en un conjunt de sub-sistemes 2D independents que es resolen mitjançant l'algorisme DDS. Atès que no s'imposen restriccions a les direccions no periòdiques del domini, aquest mètode és aplicable a la resolució de problemes discretitzats mitjançat l'extrusió de malles 2D no estructurades. L'escalabilitat d'aquest mètode ha estat provada amb èxit amb un màxim de 8192 CPU per malles de fins a ~10⁹ volums de control. En el darrer capitol capítol, es presenta un mètode de resolució per l'equació de Transport de Boltzmann (BTE). La estratègia emprada es basa en el mètode d'Ordenades Discretes i pot ser aplicat en discretitzacions no estructurades. El flux per a cada ordenada angular es resol amb un mètode de substitució equivalent a la resolució d'un sistema lineal triangular. La naturalesa seqüencial d'aquest procés fa de la paral·lelització de l'algoritme el principal repte. Diversos algorismes de substitució han estat analitzats, esdevenint una de les heurístiques proposades la millor opció en totes les situacions analitzades, amb excel·lents resultats. Els testos d'eficiència paral·lela s'han realitzat usant fins a 2560 CPU.Direct Numerical Simulation (DNS) of complex flows is currently an utopia for most of industrial applications because computational requirements are too high. For a given flow, the gap between the required and the available computing resources is covered by modeling/simplifying of some terms of the original equations. On the other hand, the continuous growth of the computing power of modern supercomputers contributes to reduce this gap, reducing hence the unresolved physics that need to be attempted with approximated models. This growth, widely relies on parallel computing technologies. However, getting the expected performance from new complex computing systems is becoming more and more difficult, and therefore part of the CFD research is focused on this goal. Regarding to it, some contributions are presented in this thesis. The first objective was to contribute to the development of a general purpose multi-physics CFD code. referred to as TermoFluids (TF). TF is programmed following the object oriented paradigm and designed to run in modern parallel computing systems. It is also intensively involved in many different projects ranging from basic research to industry applications. Besides, one of the strengths of TF is its good parallel performance demonstrated in several supercomputers. In the context of this thesis, the work was focused on the development of two of the most basic libraries that compose TF: I) the Basic Objects Library (BOL), which is a parallel unstructured CFD application programming interface, on the top of which the rest of libraries that compose TF are written, ii) the Linear Solvers Library (LSL) containing many different algorithms to solve the linear systems arising from the discretization of the equations. The first chapter of this thesis contains the main ideas underlying the design and the implementation of the BOL and LSL libraries, together with some examples and some industrial applications. A detailed description of some application-specific linear solvers included in the LSL is carried out in the following chapters. In the second chapter, a parallel direct Poisson solver restricted to problems with one uniform periodic direction is presented. The Poisson equation is solved, at least, once per time-step when modeling incompressible flows, becoming one of the most time consuming and difficult to parallelize parts of the code. The solver here proposed is a combination of a direct Schur-complement based decomposition (DSD) and a Fourier diagonalization. The latter decomposes the original system into a set of mutually independent 2D sub-systems which are solved by means of the DSD algorithm. Since no restrictions are imposed in the non-periodic directions, the overall algorithm is well-suited for solving problems discretized on extruded 2D unstructured meshes. The scalability of the solver has been successfully tested using up to 8192 CPU cores for meshes with up to 10 9 grid points. In the last chapter, a solver for the Boltzmann Transport Equation (BTE) is presented. It can be used to solve radiation phenomena interacting with flows. The solver is based on the Discrete Ordinates Method and can be applied to unstructured discretizations. The flux for each angular ordinate is swept across the computational grid, within a source iteration loop that accounts for the coupling between the different ordinates. The sequential nature of the sweep process makes the parallelization of the overall algorithm the most challenging aspect. Several parallel sweep algorithms, which represent different options of interleaving communications and calculations, are analyzed. One of the heuristics proposed consistently stands out as the best option in all the situations analyzed. With this algorithm, good scalability results have been achieved regarding both weak and strong speedup tests with up to 2560 CPUs

High-Performance Computing: Dos and Don’ts

Computational fluid dynamics (CFD) is the main field of computational mechanics that has historically benefited from advances in high-performance computing. High-performance computing involves several techniques to make a simulation efficient and fast, such as distributed memory parallelism, shared memory parallelism, vectorization, memory access optimizations, etc. As an introduction, we present the anatomy of supercomputers, with special emphasis on HPC aspects relevant to CFD. Then, we develop some of the HPC concepts and numerical techniques applied to the complete CFD simulation framework: from preprocess (meshing) to postprocess (visualization) through the simulation itself (assembly and iterative solvers)

Computational Methods in Science and Engineering : Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany

In this proceedings volume we provide a compilation of article contributions equally covering applications from different research fields and ranging from capacity up to capability computing. Besides classical computing aspects such as parallelization, the focus of these proceedings is on multi-scale approaches and methods for tackling algorithm and data complexity. Also practical aspects regarding the usage of the HPC infrastructure and available tools and software at the SCC are presented

High-Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

Applications are described of high-performance computing methods to the numerical simulation of complete jet engines. The methodology focuses on the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion driven by structural displacements. The latter is treated by a ALE technique that models the fluid mesh motion as that of a fictitious mechanical network laid along the edges of near-field elements. New partitioned analysis procedures to treat this coupled three-component problem were developed. These procedures involved delayed corrections and subcycling, and have been successfully tested on several massively parallel computers, including the iPSC-860, Paragon XP/S and the IBM SP2. The NASA-sponsored ENG10 program was used for the global steady state analysis of the whole engine. This program uses a regular FV-multiblock-grid discretization in conjunction with circumferential averaging to include effects of blade forces, loss, combustor heat addition, blockage, bleeds and convective mixing. A load-balancing preprocessor for parallel versions of ENG10 was developed as well as the capability for the first full 3D aeroelastic simulation of a multirow engine stage. This capability was tested on the IBM SP2 parallel supercomputer at NASA Ames

HPCCP/CAS Workshop Proceedings 1998

This publication is a collection of extended abstracts of presentations given at the HPCCP/CAS (High Performance Computing and Communications Program/Computational Aerosciences Project) Workshop held on August 24-26, 1998, at NASA Ames Research Center, Moffett Field, California. The objective of the Workshop was to bring together the aerospace high performance computing community, consisting of airframe and propulsion companies, independent software vendors, university researchers, and government scientists and engineers. The Workshop was sponsored by the HPCCP Office at NASA Ames Research Center. The Workshop consisted of over 40 presentations, including an overview of NASA's High Performance Computing and Communications Program and the Computational Aerosciences Project; ten sessions of papers representative of the high performance computing research conducted within the Program by the aerospace industry, academia, NASA, and other government laboratories; two panel sessions; and a special presentation by Mr. James Bailey

Parallel implementation of 3D global MHD simulations for Earth’s magnetosphere

AbstractThis paper presents a dynamic domain decomposition (D3) technique for implementing the parallelization of the piecewise parabolic method (PPM) for solving the ideal magnetohydrodynamics (MHD) equations. The key point of D3 is distributing the work dynamically among processes during the execution of the PPM algorithm. This parallel code utilizes D3 with a message passing interface (MPI) in order to permit efficient implementation on clusters of distributed memory machines and may also simultaneously exploit threading for multiprocessing shared address space architectures. 3D global MHD simulation results for the Earth’s magnetosphere on the massively parallel supercomputers Deepcomp 1800 and 6800 demonstrate the scalability and efficiency of our parallelization strategy

Parallel load balancing strategy for Volume-of-Fluid methods on 3-D unstructured meshes

© 2016. This version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/l Volume-of-Fluid (VOF) is one of the methods of choice to reproduce the interface motion in the simulation of multi-fluid flows. One of its main strengths is its accuracy in capturing sharp interface geometries, although requiring for it a number of geometric calculations. Under these circumstances, achieving parallel performance on current supercomputers is a must. The main obstacle for the parallelization is that the computing costs are concentrated only in the discrete elements that lie on the interface between fluids. Consequently, if the interface is not homogeneously distributed throughout the domain, standard domain decomposition (DD) strategies lead to imbalanced workload distributions. In this paper, we present a new parallelization strategy for general unstructured VOF solvers, based on a dynamic load balancing process complementary to the underlying DD. Its parallel efficiency has been analyzed and compared to the DD one using up to 1024 CPU-cores on an Intel SandyBridge based supercomputer. The results obtained on the solution of several artificially generated test cases show a speedup of up to similar to 12x with respect to the standard DD, depending on the interface size, the initial distribution and the number of parallel processes engaged. Moreover, the new parallelization strategy presented is of general purpose, therefore, it could be used to parallelize any VOF solver without requiring changes on the coupled flow solver. Finally, note that although designed for the VOF method, our approach could be easily adapted to other interface-capturing methods, such as the Level-Set, which may present similar workload imbalances. (C) 2014 Elsevier Inc. Allrights reserved.Peer ReviewedPostprint (author's final draft