PT-Scotch: A tool for efficient parallel graph ordering

The parallel ordering of large graphs is a difficult problem, because on the one hand minimum degree algorithms do not parallelize well, and on the other hand the obtainment of high quality orderings with the nested dissection algorithm requires efficient graph bipartitioning heuristics, the best sequential implementations of which are also hard to parallelize. This paper presents a set of algorithms, implemented in the PT-Scotch software package, which allows one to order large graphs in parallel, yielding orderings the quality of which is only slightly worse than the one of state-of-the-art sequential algorithms. Our implementation uses the classical nested dissection approach but relies on several novel features to solve the parallel graph bipartitioning problem. Thanks to these improvements, PT-Scotch produces consistently better orderings than ParMeTiS on large numbers of processors

Some Experiments and Issues to Exploit Multicore Parallelism in a Distributed-Memory Parallel Sparse Direct Solver

MUMPS is a parallel sparse direct solver, using message passing (MPI) for parallelism. In this report we experiment how thread parallelism can help taking advantage of recent multicore architectures. The work done consists in testing multithreaded BLAS libraries and inserting OpenMP directives in the routines revealed to be costly by profiling, with the objective to avoid any deep restructuring or rewriting of the code. We report on various aspects of this work, present some of the benefits and difficulties, and show that 4 threads per MPI process is generally a good compromise. We then discuss various issues that appear to be critical in a mixed MPI-OpenMP environment

Parallel computation of entries of A-1

In this paper, we are concerned about computing in parallel several entries of the inverse of a large sparse matrix. We assume that the matrix has already been factorized by a direct method and that the factors are distributed. Entries are efficiently computed by exploiting sparsity of the right-hand sides and the solution vectors in the triangular solution phase. We demonstrate that in this setting, parallelism and computational efficiency are two contrasting objectives. We develop an efficient approach and show its efficacy by runs using the MUMPS code that implements a parallel multifrontal method

Sparse direct solvers with accelerators over DAG runtimes

The current trend in the high performance computing shows a dramatic increase in the number of cores on the shared memory compute nodes. Algorithms, especially those related to linear algebra, need to be adapted to these new computer architectures in order to be efficient. PASTIX is a sparse parallel direct solver, that incorporates a dynamic scheduler for strongly hierarchical modern architectures. In this paper, we study the replacement of this internal highly integrated scheduling strategy by two generic runtime frameworks: DAGUE and STARPU. Those runtimes will give the opportunity to execute the factorization tasks graph on emerging computers equipped with accelerators. As for previous work done in dense linear algebra, we present the kernels used for GPU computations inspired by the MAGMA library and the DAG algorithm used with those two runtimes. A comparative study of the performances of the supernodal solver with the three different schedulers is performed on manycore architectures and the improvements obtained with accelerators are presented with the STARPU runtime. These results demonstrate that these DAG runtimes provide uniform programming interfaces to obtain high performance on different architectures on irregular problems as sparse direct factorizations

Parallel computation of entries in A-1

International audienceIn this paper, we consider the computation in parallel of several entries of the inverseof a large sparse matrix. We assume that the matrix has already been factorized by a direct methodand that the factors are distributed. Entries are efficiently computed by exploiting sparsity of theright-hand sides and the solution vectors in the triangular solution phase. We demonstrate that inthis setting, parallelism and computational efficiency are two contrasting objectives. We develop anefficient approach and show its efficiency on a general purpose parallel multifrontal solver

Résolution triangulaire de systèmes linéaires creux de grande taille dans un contexte parallèle multifrontal et hors-mémoire

Nous nous intéressons à la résolution de systèmes linéaires creux de très grande taille par des méthodes directes de factorisation. Dans ce contexte, la taille de la matrice des facteurs constitue un des facteurs limitants principaux pour l'utilisation de méthodes directes de résolution. Nous supposons donc que la matrice des facteurs est de trop grande taille pour être rangée dans la mémoire principale du multiprocesseur et qu'elle a donc été écrite sur les disques locaux (hors-mémoire : OOC) d'une machine multiprocesseurs durant l'étape de factorisation. Nous nous intéressons à l'étude et au développement de techniques efficaces pour la phase de résolution après une factorization multifrontale creuse. La phase de résolution, souvent négligée dans les travaux sur les méthodes directes de résolution directe creuse, constitue alors un point critique de la performance de nombreuses applications scientifiques, souvent même plus critique que l'étape de factorisation. Cette thèse se compose de deux parties. Dans la première partie nous nous proposons des algorithmes pour améliorer la performance de la résolution hors-mémoire. Dans la deuxième partie nous pousuivons ce travail en montrant comment exploiter la nature creuse des seconds membres pour réduire le volume de données accédées en mémoire. Dans la première partie de cette thèse nous introduisons deux approches de lecture des données sur le disque dur. Nous montrons ensuite que dans un environnement parallèle le séquencement des tâches peut fortement influencer la performance. Nous prouvons qu'un ordonnancement contraint des tâches peut être introduit; qu'il n'introduit pas d'interblocage entre processus et qu'il permet d'améliorer les performances. Nous conduisons nos expériences sur des problèmes industriels de grande taille (plus de 8 Millions d'inconnues) et utilisons une version hors-mémoire d'un code multifrontal creux appelé MUMPS (solveur multifrontal parallèle). Dans la deuxième partie de ce travail nous nous intéressons au cas de seconds membres creux multiples. Ce problème apparaît dans des applications en electromagnétisme et en assimilation de données et résulte du besoin de calculer l'espace propre d'une matrice fortement déficiente, du calcul d'éléments de l'inverse de la matrice associée aux équations normales pour les moindres carrés linéaires ou encore du traitement de matrices fortement réductibles en programmation linéaire. Nous décrivons un algorithme efficace de réduction du volume d'Entrées/Sorties sur le disque lors d'une résolution hors-mémoire. Plus généralement nous montrons comment le caractère creux des seconds -membres peut être exploité pour réduire le nombre d'opérations et le nombre d'accès à la mémoire lors de l'étape de résolution. Le travail présenté dans cette thèse a été partiellement financé par le projet SOLSTICE de l'ANR (ANR-06-CIS6-010). ABSTRACT : We consider the solution of very large systems of linear equations with direct multifrontal methods. In this context the size of the factors is an important limitation for the use of sparse direct solvers. We will thus assume that the factors have been written on the local disks of our target multiprocessor machine during parallel factorization. Our main focus is the study and the design of efficient approaches for the forward and backward substitution phases after a sparse multifrontal factorization. These phases involve sparse triangular solution and have often been neglected in previous works on sparse direct factorization. In many applications, however, the time for the solution can be the main bottleneck for the performance. This thesis consists of two parts. The focus of the first part is on optimizing the out-of-core performance of the solution phase. The focus of the second part is to further improve the performance by exploiting the sparsity of the right-hand side vectors. In the first part, we describe and compare two approaches to access data from the hard disk. We then show that in a parallel environment the task scheduling can strongly influence the performance. We prove that a constraint ordering of the tasks is possible; it does not introduce any deadlock and it improves the performance. Experiments on large real test problems (more than 8 million unknowns) using an out-of-core version of a sparse multifrontal code called MUMPS (MUltifrontal Massively Parallel Solver) are used to analyse the behaviour of our algorithms. In the second part, we are interested in applications with sparse multiple right-hand sides, particularly those with single nonzero entries. The motivating applications arise in electromagnetism and data assimilation. In such applications, we need either to compute the null space of a highly rank deficient matrix or to compute entries in the inverse of a matrix associated with the normal equations of linear least-squares problems. We cast both of these problems as linear systems with multiple right-hand side vectors, each containing a single nonzero entry. We describe, implement and comment on efficient algorithms to reduce the input-output cost during an outof- core execution. We show how the sparsity of the right-hand side can be exploited to limit both the number of operations and the amount of data accessed. The work presented in this thesis has been partially supported by SOLSTICE ANR project (ANR-06-CIS6-010)

Méthodes directes hors-mémoire (out-of-core) pour la résolution de systèmes linéaires creux de grande taille

Factorizing a sparse matrix is a robust way to solve large sparse systems of linear equations. However such an approach is known to be costly both in terms of computation and storage. When the storage required to process a matrix is greater than the amount of memory available on the platform, so-called out-of-core approaches have to be employed: disks extend the main memory to provide enough storage capacity. In this thesis, we investigate both theoretical and practical aspects of such out-of-core factorizations. The MUMPS and SuperLU software packages are used to illustrate our discussions on real-life matrices. First, we propose and study various out-of-core models that aim at limiting the overhead due to data transfers between memory and disks on uniprocessor machines. To do so, we revisit the algorithms to schedule the operations of the factorization and propose new memory management schemes to fit out-of-core constraints. Then we focus on a particular factorization method, the multifrontal method, that we push as far as possible in a parallel out-of-core context with a pragmatic approach. We show that out-of-core techniques allow to solve large sparse linear systems efficiently. When only the factors are stored on disks, a particular attention must be paid to temporary data, which remain in core memory. To achieve a high scalability of core memory usage, we rethink the whole schedule of the out-of-core parallel factorization.La factorisation d'une matrice creuse est une approche robuste pour la résolution de systèmes linéaires creux de grande taille. Néanmoins, une telle factorisation est connue pour être coûteuse aussi bien en temps de calcul qu'en occupation mémoire. Quand l'espace mémoire nécessaire au traitement d'une matrice est plus grand que la quantité de mémoire disponible sur la plate-forme utilisée, des approches dites hors-mémoire (out-of-core) doivent être employées : les disques étendent la mémoire centrale pour fournir une capacité de stockage suffisante. Dans cette thèse, nous nous intéressons à la fois aux aspects théoriques et pratiques de telles factorisations hors-mémoire. Les environnements logiciel MUMPS et SuperLU sont utilisés pour illustrer nos discussions sur des matrices issues du monde industriel et académique. Tout d'abord, nous proposons et étudions dans un cadre séquentiel différents modèles hors-mémoire qui ont pour but de limiter le surcoût dû aux transferts de données entre la mémoire et les disques. Pour ce faire, nous revisitons les algorithmes qui ordonnancent les opérations de la factorisation et proposons de nouveaux schémas de gestion mémoire s'accommodant aux contraintes hors-mémoire. Ensuite, nous nous focalisons sur une méthode de factorisation particulière, la méthode multifrontale, que nous poussons aussi loin que possible dans un contexte parallèle hors-mémoire. Suivant une démarche pragmatique, nous montrons que les techniques hors-mémoire permettent de résoudre efficacement des systèmes linéaires creux de grande taille. Quand seuls les facteurs sont stockés sur disque, une attention particulière doit être portée aux données temporaires, qui restent en mémoire centrale. Pour faire décroître efficacement l'occupation mémoire associée à ces données temporaires avec le nombre de processeurs, nous repensons l'ordonnancement de la factorisation parallèle hors-mémoire dans son ensemble

Improving multifrontal solvers by means of algebraic Block Low-Rank representations

We consider the solution of large sparse linear systems by means of direct factorization based on a multifrontal approach. Although numerically robust and easy to use (it only needs algebraic information: the input matrix A and a right-hand side b, even if it can also digest preprocessing strategies based on geometric information), direct factorization methods are computationally intensive both in terms of memory and operations, which limits their scope on very large problems (matrices with up to few hundred millions of equations). This work focuses on exploiting low-rank approximations on multifrontal based direct methods to reduce both the memory footprints and the operation count, in sequential and distributed-memory environments, on a wide class of problems. We first survey the low-rank formats which have been previously developed to efficiently represent dense matrices and have been widely used to design fast solutions of partial differential equations, integral equations and eigenvalue problems. These formats are hierarchical (H and Hierarchically Semiseparable matrices are the most common ones) and have been (both theoretically and practically) shown to substantially decrease the memory and operation requirements for linear algebra computations. However, they impose many structural constraints which can limit their scope and efficiency, especially in the context of general purpose multifrontal solvers. We propose a flat format called Block Low-Rank (BLR) based on a natural blocking of the matrices and explain why it provides all the flexibility needed by a general purpose multifrontal solver in terms of numerical pivoting for stability and parallelism. We compare BLR format with other formats and show that BLR does not compromise much the memory and operation improvements achieved through low-rank approximations. A stability study shows that the approximations are well controlled by an explicit numerical parameter called low-rank threshold, which is critical in order to solve the sparse linear system accurately. Details on how Block Low-Rank factorizations can be efficiently implemented within multifrontal solvers are then given. We propose several Block Low-Rank factorization algorithms which allow for different types of gains. The proposed algorithms have been implemented within the MUMPS (MUltifrontal Massively Parallel Solver) solver. We first report experiments on standard partial differential equations based problems to analyse the main features of our BLR algorithms and to show the potential and flexibility of the approach; a comparison with a Hierarchically SemiSeparable code is also given. Then, Block Low-Rank formats are experimented on large (up to a hundred millions of unknowns) and various problems coming from several industrial applications. We finally illustrate the use of our approach as a preconditioning method for the Conjugate Gradient

Amélioration des solveurs multifrontaux à l'aide de représentations algébriques rang-faible par blocs

We consider the solution of large sparse linear systems by means of direct factorization based on a multifrontal approach. Although numerically robust and easy to use (it only needs algebraic information: the input matrix A and a right-hand side b, even if it can also digest preprocessing strategies based on geometric information), direct factorization methods are computationally intensive both in terms of memory and operations, which limits their scope on very large problems (matrices with up to few hundred millions of equations). This work focuses on exploiting low-rank approximations on multifrontal based direct methods to reduce both the memory footprints and the operation count, in sequential and distributed-memory environments, on a wide class of problems. We first survey the low-rank formats which have been previously developed to efficiently represent dense matrices and have been widely used to design fast solutions of partial differential equations, integral equations and eigenvalue problems. These formats are hierarchical (H and Hierarchically Semiseparable matrices are the most common ones) and have been (both theoretically and practically) shown to substantially decrease the memory and operation requirements for linear algebra computations. However, they impose many structural constraints which can limit their scope and efficiency, especially in the context of general purpose multifrontal solvers. We propose a flat format called Block Low-Rank (BLR) based on a natural blocking of the matrices and explain why it provides all the flexibility needed by a general purpose multifrontal solver in terms of numerical pivoting for stability and parallelism. We compare BLR format with other formats and show that BLR does not compromise much the memory and operation improvements achieved through low-rank approximations. A stability study shows that the approximations are well controlled by an explicit numerical parameter called low-rank threshold, which is critical in order to solve the sparse linear system accurately. Details on how Block Low-Rank factorizations can be efficiently implemented within multifrontal solvers are then given. We propose several Block Low-Rank factorization algorithms which allow for different types of gains. The proposed algorithms have been implemented within the MUMPS (MUltifrontal Massively Parallel Solver) solver. We first report experiments on standard partial differential equations based problems to analyse the main features of our BLR algorithms and to show the potential and flexibility of the approach; a comparison with a Hierarchically SemiSeparable code is also given. Then, Block Low-Rank formats are experimented on large (up to a hundred millions of unknowns) and various problems coming from several industrial applications. We finally illustrate the use of our approach as a preconditioning method for the Conjugate Gradient.Nous considérons la résolution de très grands systèmes linéaires creux à l'aide d'une méthode de factorisation directe appelée méthode multifrontale. Bien que numériquement robustes et faciles à utiliser (elles ne nécessitent que des informations algébriques : la matrice d'entrée A et le second membre b, même si elles peuvent exploiter des stratégies de prétraitement basées sur des informations géométriques), les méthodes directes sont très coûteuses en termes de mémoire et d'opérations, ce qui limite leur applicabilité à des problèmes de taille raisonnable (quelques millions d'équations). Cette étude se concentre sur l'exploitation des approximations de rang-faible dans la méthode multifrontale, pour réduire sa consommation mémoire et son volume d'opérations, dans des environnements séquentiel et à mémoire distribuée, sur une large classe de problèmes. D'abord, nous examinons les formats rang-faible qui ont déjà été développé pour représenter efficacement les matrices denses et qui ont été utilisées pour concevoir des solveur rapides pour les équations aux dérivées partielles, les équations intégrales et les problèmes aux valeurs propres. Ces formats sont hiérarchiques (les formats H et HSS sont les plus répandus) et il a été prouvé, en théorie et en pratique, qu'ils permettent de réduire substantiellement les besoins en mémoire et opération des calculs d'algèbre linéaire. Cependant, de nombreuses contraintes structurelles sont imposées sur les problèmes visés, ce qui peut limiter leur efficacité et leur applicabilité aux solveurs multifrontaux généraux. Nous proposons un format plat appelé Block Rang-Faible (BRF) basé sur un découpage naturel de la matrice en blocs et expliquons pourquoi il fournit toute la flexibilité nécéssaire à son utilisation dans un solveur multifrontal général, en terme de pivotage numérique et de parallélisme. Nous comparons le format BRF avec les autres et montrons que le format BRF ne compromet que peu les améliorations en mémoire et opération obtenues grâce aux approximations rang-faible. Une étude de stabilité montre que les approximations sont bien contrôlées par un paramètre numérique explicite appelé le seuil rang-faible, ce qui est critique dans l'optique de résoudre des systèmes linéaires creux avec précision. Ensuite, nous expliquons comment les factorisations exploitant le format BRF peuvent être efficacement implémentées dans les solveurs multifrontaux. Nous proposons plusieurs algorithmes de factorisation BRF, ce qui permet d'atteindre différents objectifs. Les algorithmes proposés ont été implémentés dans le solveur multifrontal MUMPS. Nous présentons tout d'abord des expériences effectuées avec des équations aux dérivées partielles standardes pour analyser les principales propriétés des algorithms BRF et montrer le potentiel et la flexibilité de l'approche ; une comparaison avec un code basé sur le format HSS est également fournie. Ensuite, nous expérimentons le format BRF sur des problèmes variés et de grande taille (jusqu'à une centaine de millions d'inconnues), provenant de nombreuses applications industrielles. Pour finir, nous illustrons l'utilisation de notre approche en tant que préconditionneur pour la méthode du Gradient Conjugué

Parallel triangular solution in the out-of-core multifrontal approach for solving large sparse linear systems

We consider the solution of very large systems of linear equations with direct multifrontal methods. In this context the size of the factors is an important limitation for the use of sparse direct solvers. We will thus assume that the factors have been written on the local disks of our target multiprocessor machine during parallel factorization. Our main focus is the study and the design of efficient approaches for the forward and backward substitution phases after a sparse multifrontal factorization. These phases involve sparse triangular solution and have often been neglected in previous works on sparse direct factorization. In many applications, however, the time for the solution can be the main bottleneck for the performance. This thesis consists of two parts. The focus of the first part is on optimizing the out-of-core performance of the solution phase. The focus of the second part is to further improve the performance by exploiting the sparsity of the right-hand side vectors. In the first part, we describe and compare two approaches to access data from the hard disk. We then show that in a parallel environment the task scheduling can strongly influence the performance. We prove that a constraint ordering of the tasks is possible; it does not introduce any deadlock and it improves the performance. Experiments on large real test problems (more than 8 million unknowns) using an out-of-core version of a sparse multifrontal code called MUMPS (MUltifrontal Massively Parallel Solver) are used to analyse the behaviour of our algorithms. In the second part, we are interested in applications with sparse multiple right-hand sides, particularly those with single nonzero entries. The motivating applications arise in electromagnetism and data assimilation. In such applications, we need either to compute the null space of a highly rank deficient matrix or to compute entries in the inverse of a matrix associated with the normal equations of linear least-squares problems. We cast both of these problems as linear systems with multiple right-hand side vectors, each containing a single nonzero entry. We describe, implement and comment on efficient algorithms to reduce the input-output cost during an outof- core execution. We show how the sparsity of the right-hand side can be exploited to limit both the number of operations and the amount of data accessed. The work presented in this thesis has been partially supported by SOLSTICE ANR project (ANR-06-CIS6-010)