Hard and Soft Error Resilience for One-sided Dense Linear Algebra Algorithms

Dense matrix factorizations, such as LU, Cholesky and QR, are widely used by scientific applications that require solving systems of linear equations, eigenvalues and linear least squares problems. Such computations are normally carried out on supercomputers, whose ever-growing scale induces a fast decline of the Mean Time To Failure (MTTF). This dissertation develops fault tolerance algorithms for one-sided dense matrix factorizations, which handles Both hard and soft errors. For hard errors, we propose methods based on diskless checkpointing and Algorithm Based Fault Tolerance (ABFT) to provide full matrix protection, including the left and right factor that are normally seen in dense matrix factorizations. A horizontal parallel diskless checkpointing scheme is devised to maintain the checkpoint data with scalable performance and low space overhead, while the ABFT checksum that is generated before the factorization constantly updates itself by the factorization operations to protect the right factor. In addition, without an available fault tolerant MPI supporting environment, we have also integrated the Checkpoint-on-Failure(CoF) mechanism into one-sided dense linear operations such as QR factorization to recover the running stack of the failed MPI process. Soft error is more challenging because of the silent data corruption, which leads to a large area of erroneous data due to error propagation. Full matrix protection is developed where the left factor is protected by column-wise local diskless checkpointing, and the right factor is protected by a combination of a floating point weighted checksum scheme and soft error modeling technique. To allow practical use on large scale system, we have also developed a complexity reduction scheme such that correct computing results can be recovered with low performance overhead. Experiment results on large scale cluster system and multicore+GPGPU hybrid system have confirmed that our hard and soft error fault tolerance algorithms exhibit the expected error correcting capability, low space and performance overhead and compatibility with double precision floating point operation

Impact of network interconnection in cloud computing environments for high-performance computing applications

The availability of computational resources has changed significantly due to the use of the cloud computing paradigm. Aiming at potential advantages, such as cost savings through the pay-per-use method and scalable/elastic resource allocation, we have witnessed ef forts to execute high-performance computing (HPC) applications in the cloud. Due to the distributed nature of these environments, performance is highly dependent on two primary components of the system: processing power and network interconnection. If allocating more powerful hardware theoretically increases performance, it increases the allocation cost on the other hand. Allocation exclusivity guarantees space for memory, storage, and CPU. This is not the case for the network interconnection since several si multaneous instances (multi-tenants) share the same communication channel, making the network a bottleneck. Therefore, this dissertation aims to analyze the impact of network interconnection on the execution of workloads from the HPC domain. We carried out two different assessments. The first concentrates on different network interconnections (GbE and InfiniBand) in the Microsoft Azure public cloud and costs related to their use. The second focuses on different network configurations using NIC aggregation methodolo gies in a private cloud-controlled environment. The results obtained showed that network interconnection is a crucial aspect and can significantly impact the performance of HPC applications executed in the cloud. In the Azure public cloud, the accelerated networking approach, which allows the instance to have a high-performance interconnection without additional charges, allows significant performance improvements for HPC applications with better cost efficiency. Finally, in the private cloud environment, the NIC aggre gation approach outperformed the baseline up to ≈98% of the executions with applica tions that make intensive use of the network. Also, Balance Round-Robin aggregation mode performed better than 802.3ad aggregation mode in the majority of the executions.A disponibilidade de recursos computacionais mudou significativamente devido ao uso do paradigma de computação em nuvem. Visando vantagens potenciais, como economia de custos por meio do método de pagamento por uso e alocação de recursos escalável/e lástica, testemunhamos esforços para executar aplicações de computação de alto desem penho (HPC) na nuvem. Devido à natureza distribuída desses ambientes, o desempenho é altamente dependente de dois componentes principais do sistema: potência de processa mento e interconexão de rede. Se a alocação de um hardware mais poderoso teoricamente aumenta o desempenho, ele aumenta o custo de alocação, por outro lado. A exclusividade de alocação garante espaço para memória, armazenamento e CPU. Este não é o caso da interconexão de rede, pois várias instâncias simultâneas (multilocatários) compartilham o mesmo canal de comunicação, tornando a rede um gargalo. Portanto, esta dissertação tem como objetivo analisar o impacto da interconexão de redes na execução de cargas de tra balho do domínio HPC. Realizamos duas avaliações diferentes. O primeiro concentra-se em diferentes interconexões de rede (GbE e InfiniBand) na nuvem pública da Microsoft Azure e nos custos relacionados ao seu uso. O segundo se concentra em diferentes confi gurações de rede usando metodologias de agregação de NICs em um ambiente controlado por nuvem privada. Os resultados obtidos mostraram que a interconexão de rede é um aspecto crucial e pode impactar significativamente no desempenho das aplicações HPC executados na nuvem. Na nuvem pública do Azure, a abordagem de rede acelerada, que permite que a instância tenha uma interconexão de alto desempenho sem encargos adici onais, permite melhorias significativas de desempenho para aplicações HPC com melhor custo-benefício. Finalmente, no ambiente de nuvem privada, a abordagem de agrega ção NIC superou a linha de base em até 98% das execuções com aplicações que fazem uso intensivo da rede. Além disso, o modo de agregação Balance Round-Robin teve um desempenho melhor do que o modo de agregação 802.3ad na maioria das execuções

Portable implementation model for CFD simulations. Application to hybrid CPU/GPU supercomputers

Nowadays, high performance computing (HPC) systems experience a disruptive moment with a variety of novel architectures and frameworks, without any clarity of which one is going to prevail. In this context, the portability of codes across different architectures is of major importance. This paper presents a portable implementation model based on an algebraic operational approach for direct numerical simulation (DNS) and large eddy simulation (LES) of incompressible turbulent flows using unstructured hybrid meshes. The strategy proposed consists in representing the whole time-integration algorithm using only three basic algebraic operations: sparse matrix–vector product, a linear combination of vectors and dot product. The main idea is based on decomposing the nonlinear operators into a concatenation of two SpMV operations. This provides high modularity and portability. An exhaustive analysis of the proposed implementation for hybrid CPU/GPU supercomputers has been conducted with tests using up to 128 GPUs. The main objective consists in understanding the challenges of implementing CFD codes on new architectures.Peer ReviewedPostprint (author's final draft

Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures

The protein-folding problem has been extensively studied during the last fifty years. The understanding of the dynamics of global shape of a protein and the influence on its biological function can help us to discover new and more effective drugs to deal with diseases of pharmacological relevance. Different computational approaches have been developed by different researchers in order to foresee the threedimensional arrangement of atoms of proteins from their sequences. However, the computational complexity of this problem makes mandatory the search for new models, novel algorithmic strategies and hardware platforms that provide solutions in a reasonable time frame. We present in this revision work the past and last tendencies regarding protein folding simulations from both perspectives; hardware and software. Of particular interest to us are both the use of inexact solutions to this computationally hard problem as well as which hardware platforms have been used for running this kind of Soft Computing techniques.This work is jointly supported by the FundaciónSéneca (Agencia Regional de Ciencia y Tecnología, Región de Murcia) under grants 15290/PI/2010 and 18946/JLI/13, by the Spanish MEC and European Commission FEDER under grant with reference TEC2012-37945-C02-02 and TIN2012-31345, by the Nils Coordinated Mobility under grant 012-ABEL-CM-2014A, in part financed by the European Regional Development Fund (ERDF). We also thank NVIDIA for hardware donation within UCAM GPU educational and research centers.Ingeniería, Industria y Construcció

Dense and sparse parallel linear algebra algorithms on graphics processing units

Una línea de desarrollo seguida en el campo de la supercomputación es el uso de procesadores de propósito específico para acelerar determinados tipos de cálculo. En esta tesis estudiamos el uso de tarjetas gráficas como aceleradores de la computación y lo aplicamos al ámbito del álgebra lineal. En particular trabajamos con la biblioteca SLEPc para resolver problemas de cálculo de autovalores en matrices de gran dimensión, y para aplicar funciones de matrices en los cálculos de aplicaciones científicas. SLEPc es una biblioteca paralela que se basa en el estándar MPI y está desarrollada con la premisa de ser escalable, esto es, de permitir resolver problemas más grandes al aumentar las unidades de procesado. El problema lineal de autovalores, Ax = lambda x en su forma estándar, lo abordamos con el uso de técnicas iterativas, en concreto con métodos de Krylov, con los que calculamos una pequeña porción del espectro de autovalores. Este tipo de algoritmos se basa en generar un subespacio de tamaño reducido (m) en el que proyectar el problema de gran dimensión (n), siendo m << n. Una vez se ha proyectado el problema, se resuelve este mediante métodos directos, que nos proporcionan aproximaciones a los autovalores del problema inicial que queríamos resolver. Las operaciones que se utilizan en la expansión del subespacio varían en función de si los autovalores deseados están en el exterior o en el interior del espectro. En caso de buscar autovalores en el exterior del espectro, la expansión se hace mediante multiplicaciones matriz-vector. Esta operación la realizamos en la GPU, bien mediante el uso de bibliotecas o mediante la creación de funciones que aprovechan la estructura de la matriz. En caso de autovalores en el interior del espectro, la expansión requiere resolver sistemas de ecuaciones lineales. En esta tesis implementamos varios algoritmos para la resolución de sistemas de ecuaciones lineales para el caso específico de matrices con estructura tridiagonal a bloques, que se ejecutan en GPU. En el cálculo de las funciones de matrices hemos de diferenciar entre la aplicación directa de una función sobre una matriz, f(A), y la aplicación de la acción de una función de matriz sobre un vector, f(A)b. El primer caso implica un cálculo denso que limita el tamaño del problema. El segundo permite trabajar con matrices dispersas grandes, y para resolverlo también hacemos uso de métodos de Krylov. La expansión del subespacio se hace mediante multiplicaciones matriz-vector, y hacemos uso de GPUs de la misma forma que al resolver autovalores. En este caso el problema proyectado comienza siendo de tamaño m, pero se incrementa en m en cada reinicio del método. La resolución del problema proyectado se hace aplicando una función de matriz de forma directa. Nosotros hemos implementado varios algoritmos para calcular las funciones de matrices raíz cuadrada y exponencial, en las que el uso de GPUs permite acelerar el cálculo.One line of development followed in the field of supercomputing is the use of specific purpose processors to speed up certain types of computations. In this thesis we study the use of graphics processing units as computer accelerators and apply it to the field of linear algebra. In particular, we work with the SLEPc library to solve large scale eigenvalue problems, and to apply matrix functions in scientific applications. SLEPc is a parallel library based on the MPI standard and is developed with the premise of being scalable, i.e. to allow solving larger problems by increasing the processing units. We address the linear eigenvalue problem, Ax = lambda x in its standard form, using iterative techniques, in particular with Krylov's methods, with which we calculate a small portion of the eigenvalue spectrum. This type of algorithms is based on generating a subspace of reduced size (m) in which to project the large dimension problem (n), being m << n. Once the problem has been projected, it is solved by direct methods, which provide us with approximations of the eigenvalues of the initial problem we wanted to solve. The operations used in the expansion of the subspace vary depending on whether the desired eigenvalues are from the exterior or from the interior of the spectrum. In the case of searching for exterior eigenvalues, the expansion is done by matrix-vector multiplications. We do this on the GPU, either by using libraries or by creating functions that take advantage of the structure of the matrix. In the case of eigenvalues from the interior of the spectrum, the expansion requires solving linear systems of equations. In this thesis we implemented several algorithms to solve linear systems of equations for the specific case of matrices with a block-tridiagonal structure, that are run on GPU. In the computation of matrix functions we have to distinguish between the direct application of a matrix function, f(A), and the action of a matrix function on a vector, f(A)b. The first case involves a dense computation that limits the size of the problem. The second allows us to work with large sparse matrices, and to solve it we also make use of Krylov's methods. The expansion of subspace is done by matrix-vector multiplication, and we use GPUs in the same way as when solving eigenvalues. In this case the projected problem starts being of size m, but it is increased by m on each restart of the method. The solution of the projected problem is done by directly applying a matrix function. We have implemented several algorithms to compute the square root and the exponential matrix functions, in which the use of GPUs allows us to speed up the computation.Una línia de desenvolupament seguida en el camp de la supercomputació és l'ús de processadors de propòsit específic per a accelerar determinats tipus de càlcul. En aquesta tesi estudiem l'ús de targetes gràfiques com a acceleradors de la computació i ho apliquem a l'àmbit de l'àlgebra lineal. En particular treballem amb la biblioteca SLEPc per a resoldre problemes de càlcul d'autovalors en matrius de gran dimensió, i per a aplicar funcions de matrius en els càlculs d'aplicacions científiques. SLEPc és una biblioteca paral·lela que es basa en l'estàndard MPI i està desenvolupada amb la premissa de ser escalable, açò és, de permetre resoldre problemes més grans en augmentar les unitats de processament. El problema lineal d'autovalors, Ax = lambda x en la seua forma estàndard, ho abordem amb l'ús de tècniques iteratives, en concret amb mètodes de Krylov, amb els quals calculem una xicoteta porció de l'espectre d'autovalors. Aquest tipus d'algorismes es basa a generar un subespai de grandària reduïda (m) en el qual projectar el problema de gran dimensió (n), sent m << n. Una vegada s'ha projectat el problema, es resol aquest mitjançant mètodes directes, que ens proporcionen aproximacions als autovalors del problema inicial que volíem resoldre. Les operacions que s'utilitzen en l'expansió del subespai varien en funció de si els autovalors desitjats estan en l'exterior o a l'interior de l'espectre. En cas de cercar autovalors en l'exterior de l'espectre, l'expansió es fa mitjançant multiplicacions matriu-vector. Aquesta operació la realitzem en la GPU, bé mitjançant l'ús de biblioteques o mitjançant la creació de funcions que aprofiten l'estructura de la matriu. En cas d'autovalors a l'interior de l'espectre, l'expansió requereix resoldre sistemes d'equacions lineals. En aquesta tesi implementem diversos algorismes per a la resolució de sistemes d'equacions lineals per al cas específic de matrius amb estructura tridiagonal a blocs, que s'executen en GPU. En el càlcul de les funcions de matrius hem de diferenciar entre l'aplicació directa d'una funció sobre una matriu, f(A), i l'aplicació de l'acció d'una funció de matriu sobre un vector, f(A)b. El primer cas implica un càlcul dens que limita la grandària del problema. El segon permet treballar amb matrius disperses grans, i per a resoldre-ho també fem ús de mètodes de Krylov. L'expansió del subespai es fa mitjançant multiplicacions matriu-vector, i fem ús de GPUs de la mateixa forma que en resoldre autovalors. En aquest cas el problema projectat comença sent de grandària m, però s'incrementa en m en cada reinici del mètode. La resolució del problema projectat es fa aplicant una funció de matriu de forma directa. Nosaltres hem implementat diversos algorismes per a calcular les funcions de matrius arrel quadrada i exponencial, en les quals l'ús de GPUs permet accelerar el càlcul.Lamas Daviña, A. (2018). Dense and sparse parallel linear algebra algorithms on graphics processing units [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/112425TESI

System design approach to energy-efficient data centers

Thesis (S.M. in Engineering and Management)--Massachusetts Institute of Technology, Engineering Systems Division, System Design and Management Program, 2011.Cataloged from PDF version of thesis.Includes bibliographical references (p. 63-65).Green HPC is the new standard for High Performance Computing (HPC). This has now become the primary interest among HPC researchers because of a renewed emphasis on Total Cost of Ownership (TCO) and the pursuit of higher performance. Quite simply, the cost of operating modern HPC equipment can rapidly outstrip the cost of acquisition. This phenomenon is recent and can be traced to the inadequacies in modern CPU and Datacenter systems design. This thesis analyzes the problem in its entirety and describe best practice fixes to solve the problems of energy-inefficient HPC.by Kurt Keville.S.M.in Engineering and Managemen

Heterogeneous parallel algorithms for computational fluid dynamics on unstructured meshes

Frontiers of computational fluid dynamics (CFD) are constantly expanding and eagerly demanding more computational resources. Currently, we are experiencing an rapid evolution in the high performance computing systems driven by power consumption constraints. New HPC nodes incorporate accelerators that are used as math co-processors for increasing the throughput and the FLOP per watt ratio. On the other hand, multi-core CPUs have turned into energy efficient system-on-chip architectures. By doing so, the main components of the node are fused and integrated into a single chip reducing the energy costs. Nowadays, several institutions and governments are investing in the research and development of different aspects of HPC that could lead to the next generations of supercomputers. This initiatives have entitled the problem as the exascale challenge. This goal can only be achieved by incorporating major changes in computer architecture, memory design and network interfaces. The CFD community faces an important challenge: keep the pace at the rapid changes in the HPC resources. The codes and formulations need to be re-design in other to exploit the different levels of parallelism and complex memory hierarchies of the new heterogeneous systems. The main characteristics demanded to the new CFD software are: memory awareness, extreme concurrency, modularity and portability. This thesis is devoted to the study of a CFD algorithm re-factoring for the adoption of new technologies. Our application context is the solution of incompressible flows (DNS or LES) on unstructured meshes. The first approach was using GPUs for accelerating the Poisson solver, that is the most computational intensive part of our application. The positive results obtained in this first step motivated us to port the complete time integration phase of our application. This requires a major redesign of the code. We propose a portable implementation model for CFD applications. The main idea was substituting stencil data structures and kernels by algebraic storage formats and operators. By doing so, the algorithm was restructured into a minimal set of algebraic operations. The implementation strategy consisted in the creation of a low-level algebraic layer for computations on CPUs and GPUs, and a high-level user-friendly discretization layer for CPUs that is fully localized at the preprocessing stage where performance does not play an important role. As a result, at the time-integration phase the code relies only on three algebraic kernels: sparse-matrix-vector product (SpMV), linear combination of two vectors (AXPY) and dot product (DOT). Such a simple set of basic linear algebra operations naturally provides the desired portability to any computing architecture. Special attention was paid at the development of data structures compatibles with the stream processing model. A detailed performance analysis was studied in both sequential and parallel execution engaging up to 128 GPUs in a hybrid CPU/GPU supercomputer. Moreover, we tested the portable implementation model of TermoFluids code in the Mont-Blanc mobile-based supercomputer. The re-design of the kernels exploits a heterogeneous execution model using both computing devices CPU and GPU of the ARM-based nodes. The load balancing between the two computing devices exploits a tabu search strategy that tunes the workload distribution during the preprocessing stage. A comparison of the Mont-Blanc prototypes with high-end supercomputers in terms of the achieved net performance and energy consumption provided some guidelines of the behavior of CFD applications in ARM-based architectures. Finally, we present a memory aware auto-tuned Poisson solver for problems with one Fourier diagonalizable direction. This work was developed and tested in the BlueGene/Q Vesta supercomputer, and aims at demonstrating the relevance of vectorization and memory awareness for fully exploiting the modern energy efficient CPUs.Las fronteras de la dinámica de fluidos computacional (CFD) están en constante expansión y demandan más y más recursos computacionales. Actualmente, estamos experimentando una evolución en los sistemas de computación de alto rendimiento (HPC) impulsado por restricciones de consumo de energía. Los nuevos nodos HPC incorporan aceleradores que se utilizan como co-procesadores para incrementar el rendimiento y la relación FLOP por vatio. Por otro lado, CPUs multi-core se han convertido en arquitecturas system-on-chip. Hoy en día, varias instituciones y gobiernos están invirtiendo en la investigación y desarrollo de los diferentes aspectos de HPC que podrían llevar a las próximas generaciones de superordenadores. Estas iniciativas han titulado el problema como el "exascale challenge". Este objetivo sólo puede lograrse mediante la incorporación de cambios importantes en: la arquitectura de ordenador, diseño de la memoria y las interfaces de red. La comunidad de CFD se enfrenta a un reto importante: mantener el ritmo a los rápidos cambios en las infraestructuras de HPC. Los códigos y formulaciones necesitan ser rediseñados para explotar los diferentes niveles de paralelismo y complejas jerarquías de memoria de los nuevos sistemas heterogéneos. Las principales características exigidas al nuevo software CFD son: estructuras de datos, la concurrencia extrema, modularidad y portabilidad. Esta tesis está dedicada al estudio de un modelo de implementation CFD para la adopción de nuevas tecnologías. Nuestro contexto de aplicación es la solución de los flujos incompresibles (DNS o LES) en mallas no estructuradas. El primer enfoque se basó en utilizar GPUs para acelerar el solver de Poisson. Los resultados positivos obtenidos en este primer paso nos motivaron a la portabilidad completa de la fase de integración temporal de nuestra aplicación. Esto requiere un importante rediseño del código. Proponemos un modelo de implementacion portable para aplicaciones de CFD. La idea principal es sustituir las estructuras de datos de los stencils y kernels por formatos de almacenamiento algebraicos y operadores. La estrategia de implementación consistió en la creación de una capa algebraica de bajo nivel para los cálculos de CPU y GPU, y una capa de discretización fácil de usar de alto nivel para las CPU. Como resultado, la fase de integración temporal del código se basa sólo en tres funciones algebraicas: producto de una matriz dispersa con un vector (SPMV), combinación lineal de dos vectores (AXPY) y producto escalar (DOT). Además, se prestó especial atención en el desarrollo de estructuras de datos compatibles con el modelo stream processing. Un análisis detallado de rendimiento se ha estudiado tanto en ejecución secuencial y paralela utilizando hasta 128 GPUs en un superordenador híbrido CPU / GPU. Por otra parte, hemos probado el nuevo modelo de TermoFluids en el superordenador Mont-Blanc basado en tecnología móvil. El rediseño de las funciones explota un modelo de ejecución heterogénea utilizando tanto la CPU y la GPU de los nodos basados en arquitectura ARM. El equilibrio de carga entre las dos unidades de cálculo aprovecha una estrategia de búsqueda tabú que sintoniza la distribución de carga de trabajo durante la etapa de preprocesamiento. Una comparación de los prototipos Mont-Blanc con superordenadores de alta gama en términos de rendimiento y consumo de energía nos proporcionó algunas pautas del comportamiento de las aplicaciones CFD en arquitecturas basadas en ARM. Por último, se presenta una estructura de datos auto-sintonizada para el solver de Poisson en problemas con una dirección diagonalizable mediante una descomposicion de Fourier. Este trabajo fue desarrollado y probado en la superordenador BlueGene / Q Vesta, y tiene por objeto demostrar la relevancia de vectorización y las estructuras de datos para aprovechar plenamente las CPUs de los superodenadores modernos

Hybrid algorithms for efficient Cholesky decomposition and matrix inverse using multicore CPUs with GPU accelerators

The use of linear algebra routines is fundamental to many areas of computational science, yet their implementation in software still forms the main computational bottleneck in many widely used algorithms. In machine learning and computational statistics, for example, the use of Gaussian distributions is ubiquitous, and routines for calculating the Cholesky decomposition, matrix inverse and matrix determinant must often be called many thousands of times for common algorithms, such as Markov chain Monte Carlo. These linear algebra routines consume most of the total computational time of a wide range of statistical methods, and any improvements in this area will therefore greatly increase the overall efficiency of algorithms used in many scientific application areas. The importance of linear algebra algorithms is clear from the substantial effort that has been invested over the last 25 years in producing low-level software libraries such as LAPACK, which generally optimise these linear algebra routines by breaking up a large problem into smaller problems that may be computed independently. The performance of such libraries is however strongly dependent on the specific hardware available. LAPACK was originally developed for single core processors with a memory hierarchy, whereas modern day computers often consist of mixed architectures, with large numbers of parallel cores and graphics processing units (GPU) being used alongside traditional CPUs. The challenge lies in making optimal use of these different types of computing units, which generally have very different processor speeds and types of memory. In this thesis we develop novel low-level algorithms that may be generally employed in blocked linear algebra routines, which automatically optimise themselves to take full advantage of the variety of heterogeneous architectures that may be available. We present a comparison of our methods with MAGMA, the state of the art open source implementation of LAPACK designed specifically for hybrid architectures, and demonstrate up to 400% increase in speed that may be obtained using our novel algorithms, specifically when running commonly used Cholesky matrix decomposition, matrix inverse and matrix determinant routines