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43054695.Pdf - Rapport CEA-R-6289 - CEA Saclay Direction de L’Énergie Nucléaire Département de Modélisation des Systèmes et Structures Service d’Études des Réacteurs et de Mathématiques Appliquées Laboratoire de Logiciels pour la Physique des Réacteurs CONTRIBUTION À L’ALGORITHMIQUE ET À LA PROGRAMMATION EFFICACE DES NOUVELLES ARCHITECTURES PARALLÈLES COMPORTANT DES ACCÉLÉRATEURS DE CALCUL DANS LE DOMAINE DE LA NEUTRONIQUE ET DE LA RADIOPROTECTION par Jérôme DUBOIS - Mars 2012 - RAPPORT CEA-R-6289 – Jérôme DUBOIS «Contribution à l'algorithmique et à la programmation efficace des nouvelles architectures parallèles comportant des accélérateurs de calcul dans le domaine de la neutronique et de la radioprotection» Résumé – Les travaux de cette thèse concernent dans un premier temps l’évaluation des nouveaux matériels de calculs tels que les cartes graphiques ou les puces massivement multicoeurs, et leur application aux problèmes de valeurs propres pour la neutronique. Ensuite, dans le but d’utiliser le parallélisme massif des supercalculateurs, nous étudions également l’utilisation de méthodes hybrides asynchrones pour résoudre des problèmes à valeur propre avec ce très haut niveau de parallélisme. Nous expérimentons ensuite le résultat de ces recherches sur plusieurs supercalculateurs nationaux tels que la machine hybride Titane du Centre de Calcul, Recherche et Technologies (CCRT), la machine Curie du Très Grand Centre de Calcul (TGCC) qui est en cours d’installation, et la machine Hopper du Lawrence Berkeley National Laboratory (LBNL), mais également sur des stations de travail locales pour illustrer l’intérêt de ces recherches dans une utilisation quotidienne avec des moyens de calcul locaux. 2012 – Commissariat à l’Énergie Atomique – France RAPPORT CEA-R-6289 – Jérôme DUBOIS «Contribution to the algorithmic and efficient programming of new parallel architectures including accelerators for neutron physics and shielding computations» Abstract - In science, simulation is a key process for research or validation. Modern computer technology allows faster numerical experiments, which are cheaper than real models. In the field of neutron simulation, the calculation of eigenvalues is one of the key challenges. The complexity of these problems is such that a lot of computing power may be necessary. The work of this thesis is first the evaluation of new computing hardware such as graphics card or massively multicore chips, and their application to eigenvalue problems for neutron simulation. Then, in order to address the massive parallelism of supercomputers national, we also study the use of asynchronous hybrid methods for solving eigenvalue problems with this very high level of parallelism. Then we experiment the work of this research on several national supercomputers such as the Titane hybrid machine of the Computing Center, Research and Technology (CCRT), the Curie machine of the Very Large Computing Centre (TGCC), currently being installed, and the Hopper machine at the Lawrence Berkeley National Laboratory (LBNL). We also do our experiments on local workstations to illustrate the interest of this research in an everyday use with local computing resources. 2012 – Commissariat à l’Énergie Atomique – France THÈSE Présentée à L’UNIVERSITE LILLE 1 SCIENCES ET TECHNOLOGIES Pour obtenir le titre de DOCTEUR EN INFORMATIQUE Par Jérôme DUBOIS « Contribution à l'algorithmique et à la programmation efficace des nouvelles architectures parallèles comportant des accélérateurs de calcul dans le domaine de la neutronique et de la radioprotection» Thèse de l’Ecole Doctorale – Sciences pour l’Ingénieur (EDSPI), effectuée avec le Laboratoire d’Informatique Fondamentale de Lille (LIFL) et le Commissariat à l’Energie Atomique et aux énergies alternatives (CEA). Thèse soutenue le 13 Octobre 2011, devant la commission d’examen : Président : Clarisse DHAENENS Professeur à l’Université Lille 1 Sciences et Technologies Rapporteurs : Michel DAYDÉ Professeur à l’ENSEEIHT Marc SNIR Professeur au Department of Computer Science, University of Illinois Examinateurs : Anthony DRUMMOND Docteur au Lawrence Berkeley National Laboratory Christophe CALVIN Docteur au Commissariat à l’Énergie Atomique et aux Énergies Alternatives Directeur de thèse : Serge Petiton Professeur à l’Université Lille 1 Sciences et Technologies Numéro d’ordre : 40610 Jérôme Dubois Page i Remerciements En tout premier lieu, je remercie M. Serge PETITON, Professeur à l’Université de Lille 1 Sciences et Technologies. Sous sa direction, ces travaux ont pour moi été très formateurs et m’ont permis une initiation à la Recherche stimulante, ainsi qu’une acquisition de connaissances passionnante. Ses conseils, son expérience et ses idées m’ont permis d’acquérir beaucoup durant ces trois années. Je remercie particulièrement M. Christophe CALVIN, mon encadrant CEA, pour sa patience et son implication. Ces travaux se placent dans un contexte à la frontière de la Recherche et l’Industrie, et ses remarques pertinentes ainsi que ses conseils m’ont toujours permis de lier mes travaux de recherche à un aspect pratique et de faire avancer ma réflexion. Je remercie également les rapporteurs, M. Michel DAYDE, Professeur à l’ENSEEIHT et M. Marc SNIR, Professeur à l’Université de l’Illinois, d’avoir accepté d’être rapporteurs de ma thèse et pour les échanges constructifs en ayant résulté ainsi que l’intérêt qu’ils ont porté à mon travail. Je tiens à remercier Mme Clarisse DHAENENS, Professeur à Polytech’Lille et au LIFL, d’avoir accepté de présider le jury de ma thèse et pour son aide dans l’organisation de la soutenance. Je remercie M. Tony DRUMMOND du Lawrence Berkeley National Laboratory, d’avoir accepté de faire partie de mon jury et de l’intérêt qu’il a porté à mes travaux de Recherche. Mes remerciements vont à Anne-Marie BAUDRON, Erell JAMELOT, Jean-Jacques LAUTARD et Stéphane SALMONS, chercheurs au Laboratoire des Logiciels pour la Physique des Réacteurs, mon laboratoire d’accueil au CEA. L’aide liée à leurs spécialités m’aura permis de découvrir et apprendre de nouvelles connaissances en neutronique et génie logiciel et d’enrichir ou améliorer mes travaux. Enfin, mes plus tendres remerciements vont à Mme Blandine DUBOIS, mon épouse, pour son support continu durant mon initiation à la Recherche, ainsi que sa patience infinie. Jérôme Dubois Page ii Résumé Dans le domaine des sciences et technologies, la simulation numérique est un élément- clé des processus de recherche ou de validation. Grâce aux moyens informatiques modernes, elle permet des expérimentations numériques rapides et moins coûteuses que des maquettes réelles, sans pour autant les remplacer totalement, mais permettant de réaliser des expérimentations mieux calibrées. Dans le domaine de la physique des réacteurs et plus précisément de la neutronique, le calcul de valeurs propres est la base de la résolution de l’équation du transport des neutrons. La complexité des problèmes à résoudre (dimension spatiale, énergétique, nombre de paramètres, …) est telle qu’une grande puissance de calcul peut être nécessaire. Les travaux de cette thèse concernent dans un premier temps l’évaluation des nouveaux matériels de calculs tels que les cartes graphiques ou les puces massivement multicoeurs, et leur application aux problèmes de valeurs propres pour la neutronique. Ensuite, dans le but d’utiliser le parallélisme massif des supercalculateurs, nous étudions également l’utilisation de méthodes hybrides asynchrones pour résoudre des problèmes à valeur propre avec ce très haut niveau de parallélisme. Nous expérimentons ensuite le résultat de ces recherches sur plusieurs supercalculateurs nationaux tels que la machine hybride Titane du Centre de Calcul, Recherche et Technologies (CCRT), la machine Curie du Très Grand Centre de Calcul (TGCC) qui est en cours d’installation, et la machine Hopper du Lawrence Berkeley National Laboratory (LBNL), mais également sur des stations de travail locales pour illustrer l’intérêt de ces recherches dans une utilisation quotidienne avec des moyens de calcul locaux. Jérôme Dubois Page iii Abstract In science, simulation is a key process for research or validation. Modern computer technology allows faster numerical experiments, which are cheaper than real models. In the field of neutron simulation, the calculation of eigenvalues is one of the key challenges. The complexity of these problems is such that a lot of computing power may be necessary. The work of this thesis is first the evaluation of new computing hardware such as graphics card or massively multicore chips, and their application to eigenvalue problems for neutron simulation. Then, in order to address the massive parallelism of supercomputers national, we also study the use of asynchronous hybrid methods for solving eigenvalue problems with this very high level of parallelism. Then we experiment the work of this research on several national supercomputers such as the Titane hybrid machine of the Computing Center, Research and Technology (CCRT), the Curie machine of the Very Large Computing Centre (TGCC), currently being installed, and the Hopper machine at the Lawrence Berkeley National Laboratory (LBNL). We also do our experiments on local workstations to illustrate the interest of this research in an everyday use with local computing resources. Jérôme Dubois Page iv Sommaire Chapitre 1. Rappels sur le parallélisme ....................................................................... 3 1.1. État de l’art du calcul haute performance ........................................................
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