Accelerating Dynamical Density Response Code on Summit and Its Application for Computing the Density Response Function of Vanadium Sesquioxide

This thesis details the process of porting the Eguiluz group dynamical density response computational platform to the hybrid CPU+GPU environment at the Summit supercomputer at Oak Ridge National Laboratory (ORNL) Leadership Computing Center. The baseline CPU-only version is a Gordon Bell-winning platform within the formally-exact time-dependent density functional theory (TD-DFT) framework using the linearly augmented plane wave (LAPW) basis set. The code is accelerated using a combination of the OpenACC programming model and GPU libraries -- namely, the Matrix Algebra for GPU and Multicore Architectures (MAGMA) library -- as well as exploiting the sparsity pattern of the matrices involved in the matrix-matrix multiplication. Benchmarks show a 12.3x speedup compared to the CPU-only version. This performance boost should accelerate discovery in material and condensed matter physics through computational means. After the hybrid CPU+GPU code has been sufficiently optimized, it is used to study the dynamical density response function of vanadium sesquioxide, and the results are compared with spectroscopic data from non-resonant inelastic X-ray scattering {NIXS} experiments

Shader optimization and specialization

In the field of real-time graphics for computer games, performance has a significant effect on the player’s enjoyment and immersion. Graphics processing units (GPUs) are hardware accelerators that run small parallelized shader programs to speed up computationally expensive rendering calculations. This thesis examines optimizing shader programs and explores ways in which data patterns on both the CPU and GPU can be analyzed to automatically speed up rendering in games. Initially, the effect of traditional compiler optimizations on shader source-code was explored. Techniques such as loop unrolling or arithmetic reassociation provided speed-ups on several devices, but different GPU hardware responded differently to each set of optimizations. Analyzing execution traces from numerous popular PC games revealed that much of the data passed from CPU-based API calls to GPU-based shaders is either unused, or remains constant. A system was developed to capture this constant data and fold it into the shaders’ source-code. Re-running the game’s rendering code using these specialized shader variants resulted in performance improvements in several commercial games without impacting their visual quality

Proceedings of the 4th International Conference on Principles and Practices of Programming in Java

This book contains the proceedings of the 4th international conference on principles and practices of programming in Java. The conference focuses on the different aspects of the Java programming language and its applications

A Unified Infrastructure for Monitoring and Tuning the Energy Efficiency of HPC Applications

High Performance Computing (HPC) has become an indispensable tool for the scientific community to perform simulations on models whose complexity would exceed the limits of a standard computer. An unfortunate trend concerning HPC systems is that their power consumption under high-demanding workloads increases. To counter this trend, hardware vendors have implemented power saving mechanisms in recent years, which has increased the variability in power demands of single nodes. These capabilities provide an opportunity to increase the energy efficiency of HPC applications. To utilize these hardware power saving mechanisms efficiently, their overhead must be analyzed. Furthermore, applications have to be examined for performance and energy efficiency issues, which can give hints for optimizations. This requires an infrastructure that is able to capture both, performance and power consumption information concurrently. The mechanisms that such an infrastructure would inherently support could further be used to implement a tool that is able to do both, measuring and tuning of energy efficiency. This thesis targets all steps in this process by making the following contributions: First, I provide a broad overview on different related fields. I list common performance measurement tools, power measurement infrastructures, hardware power saving capabilities, and tuning tools. Second, I lay out a model that can be used to define and describe energy efficiency tuning on program region scale. This model includes hardware and software dependent parameters. Hardware parameters include the runtime overhead and delay for switching power saving mechanisms as well as a contemplation of their scopes and the possible influence on application performance. Thus, in a third step, I present methods to evaluate common power saving mechanisms and list findings for different x86 processors. Software parameters include their performance and power consumption characteristics as well as the influence of power-saving mechanisms on these. To capture software parameters, an infrastructure for measuring performance and power consumption is necessary. With minor additions, the same infrastructure can later be used to tune software and hardware parameters. Thus, I lay out the structure for such an infrastructure and describe common components that are required for measuring and tuning. Based on that, I implement adequate interfaces that extend the functionality of contemporary performance measurement tools. Furthermore, I use these interfaces to conflate performance and power measurements and further process the gathered information for tuning. I conclude this work by demonstrating that the infrastructure can be used to manipulate power-saving mechanisms of contemporary x86 processors and increase the energy efficiency of HPC applications

Technology 2001: The Second National Technology Transfer Conference and Exposition, volume 2

Proceedings of the workshop are presented. The mission of the conference was to transfer advanced technologies developed by the Federal government, its contractors, and other high-tech organizations to U.S. industries for their use in developing new or improved products and processes. Volume two presents papers on the following topics: materials science, robotics, test and measurement, advanced manufacturing, artificial intelligence, biotechnology, electronics, and software engineering

Proceedings of Monterey Workshop 2001 Engineering Automation for Sofware Intensive System Integration

The 2001 Monterey Workshop on Engineering Automation for Software Intensive System Integration was sponsored by the Office of Naval Research, Air Force Office of Scientific Research, Army Research Office and the Defense Advance Research Projects Agency. It is our pleasure to thank the workshop advisory and sponsors for their vision of a principled engineering solution for software and for their many-year tireless effort in supporting a series of workshops to bring everyone together.This workshop is the 8 in a series of International workshops. The workshop was held in Monterey Beach Hotel, Monterey, California during June 18-22, 2001. The general theme of the workshop has been to present and discuss research works that aims at increasing the practical impact of formal methods for software and systems engineering. The particular focus of this workshop was "Engineering Automation for Software Intensive System Integration". Previous workshops have been focused on issues including, "Real-time & Concurrent Systems", "Software Merging and Slicing", "Software Evolution", "Software Architecture", "Requirements Targeting Software" and "Modeling Software System Structures in a fastly moving scenario".Office of Naval ResearchAir Force Office of Scientific Research Army Research OfficeDefense Advanced Research Projects AgencyApproved for public release, distribution unlimite

Profilage et débogage par prise de traces efficaces d'applications hybrides multi-threadées HPC

Supercomputers’ evolution is at the source of both hardware and software challenges. In the quest for the highest computing power, the interdependence in-between simulation components is becoming more and more impacting, requiring new approaches. This thesis is focused on the software development aspect and particularly on the observation of parallel software when being run on several thousand cores. This observation aims at providing developers with the necessary feedback when running a program on an execution substrate which has not been modeled yet because of its complexity. In this purpose, we firstly introduce the development process from a global point of view, before describing developer tools and related work. In a second time, we present our contribution which consists in a trace based profiling and debugging tool and its evolution towards an on-line coupling method which as we will show is more scalable as it overcomes IOs limitations. Our contribution also covers our time-stamp synchronisation algorithm for tracing purposes which relies on a probabilistic approach with quantified error. We also present a tool allowing machine characterisation from the MPI aspect and demonstrate the presence of machine noise for both point to point and collectives, justifying the use of an empirical approach. In summary, this work proposes and motivates an alternative approach to trace based event collection while preserving event granularity and a reduced overheadL’évolution des supercalculateurs est à la source de défis logiciels et architecturaux. Dans la quête de puissance de calcul, l’interdépendance des éléments du processus de simulation devient de plus en plus impactante et requiert de nouvelles approches. Cette thèse se concentre sur le développement logiciel et particulièrement sur l’observation des programmes parallèles s’exécutant sur des milliers de cœurs. Dans ce but, nous décrivons d’abord le processus de développement de manière globale avant de présenter les outils existants et les travaux associés. Dans un second temps, nous détaillons notre contribution qui consiste d’une part en des outils de débogage et profilage par prise de traces, et d’autre part en leur évolution vers un couplage en ligne qui palie les limitations d’entrées–sorties. Notre contribution couvre également la synchronisation des horloges pour la prise de traces avec la présentation d’un algorithme de synchronisation probabiliste dont nous avons quantifié l’erreur. En outre, nous décrivons un outil de caractérisation machine qui couvre l’aspect MPI. Un tel outil met en évidence la présence de bruit aussi bien sur les communications de type point-à-point que de type collective. Enfin, nous proposons et motivons une alternative à la collecte d’événements par prise de traces tout en préservant la granularité des événements et un impact réduit sur les performances, tant sur le volet utilisation CPU que sur les entrées–sortie