Efficient Algorithms And Optimizations For Scientific Computing On Many-Core Processors

Designing efficient algorithms for many-core and multicore architectures requires using different strategies to allow for the best exploitation of the hardware resources on those architectures. Researchers have ported many scientific applications to modern many-core and multicore parallel architectures, and by doing so they have achieved significant speedups over running on single CPU cores. While many applications have achieved significant speedups, some applications still require more effort to accelerate due to their inherently serial behavior. One class of applications that has this serial behavior is the Monte Carlo simulations. Monte Carlo simulations have been used to simulate many problems in statistical physics and statistical mechanics that were not possible to simulate using Molecular Dynamics. While there are a fair number of well-known and recognized GPU Molecular Dynamics codes, the existing Monte Carlo ensemble simulations have not been ported to the GPU, so they are relatively slow and could not run large systems in a reasonable amount of time. Due to the previously mentioned shortcomings of existing Monte Carlo ensemble codes and due to the interest of researchers to have a fast Monte Carlo simulation framework that can simulate large systems, a new GPU framework called GOMC is implemented to simulate different particle and molecular-based force fields and ensembles. GOMC simulates different Monte Carlo ensembles such as the canonical, grand canonical, and Gibbs ensembles. This work describes many challenges in developing a GPU Monte Carlo code for such ensembles and how I addressed these challenges. This work also describes efficient many-core and multicore large-scale energy calculations for Monte Carlo Gibbs ensemble using cell lists. Designing Monte Carlo molecular simulations is challenging as they have less computation and parallelism when compared to similar molecular dynamics applications. The modified cell list allows for more speedup gains for energy calculations on both many-core and multicore architectures when compared to other implementations without using the conventional cell lists. The work presents results and analysis of the cell list algorithms for each one of the parallel architectures using top of the line GPUs, CPUs, and Intel’s Phi coprocessors. In addition, the work evaluates the performance of the cell list algorithms for different problem sizes and different radial cutoffs. In addition, this work evaluates two cell list approaches, a hybrid MPI+OpenMP approach and a hybrid MPI+CUDA approach. The cell list methods are evaluated on a small cluster of multicore CPUs, Intel Phi coprocessors, and GPUs. The performance results are evaluated using different combinations of MPI processes, threads, and problem sizes. Another application presented in this dissertation involves the understanding of the properties of crystalline materials, and their design and control. Recent developments include the introduction of new models to simulate system behavior and properties that are of large experimental and theoretical interest. One of those models is the Phase-Field Crystal (PFC) model. The PFC model has enabled researchers to simulate 2D and 3D crystal structures and study defects such as dislocations and grain boundaries. In this work, GPUs are used to accelerate various dynamic properties of polycrystals in the 2D PFC model. Some properties require very intensive computation that may involve hundreds of thousands of atoms. The GPU implementation has achieved significant speedups of more than 46 times for some large systems simulations

Extensions of Task-based Runtime for High Performance Dense Linear Algebra Applications

On the road to exascale computing, the gap between hardware peak performance and application performance is increasing as system scale, chip density and inherent complexity of modern supercomputers are expanding. Even if we put aside the difficulty to express algorithmic parallelism and to efficiently execute applications at large scale, other open questions remain. The ever-growing scale of modern supercomputers induces a fast decline of the Mean Time To Failure. A generic, low-overhead, resilient extension becomes a desired aptitude for any programming paradigm. This dissertation addresses these two critical issues, designing an efficient unified linear algebra development environment using a task-based runtime, and extending a task-based runtime with fault tolerant capabilities to build a generic framework providing both soft and hard error resilience to task-based programming paradigm. To bridge the gap between hardware peak performance and application perfor- mance, a unified programming model is designed to take advantage of a lightweight task-based runtime to manage the resource-specific workload, and to control the data ow and parallel execution of tasks. Under this unified development, linear algebra tasks are abstracted across different underlying heterogeneous resources, including multicore CPUs, GPUs and Intel Xeon Phi coprocessors. Performance portability is guaranteed and this programming model is adapted to a wide range of accelerators, supporting both shared and distributed-memory environments. To solve the resilient challenges on large scale systems, fault tolerant mechanisms are designed for a task-based runtime to protect applications against both soft and hard errors. For soft errors, three additions to a task-based runtime are explored. The first recovers the application by re-executing minimum number of tasks, the second logs intermediary data between tasks to minimize the necessary re-execution, while the last one takes advantage of algorithmic properties to recover the data without re- execution. For hard errors, we propose two generic approaches, which augment the data logging mechanism for soft errors. The first utilizes non-volatile storage device to save logged data, while the second saves local logged data on a remote node to protect against node failure. Experimental results have confirmed that our soft and hard error fault tolerant mechanisms exhibit the expected correctness and efficiency

Evaluating Cache Coherent Shared Virtual Memory for Heterogeneous Multicore Chips

The trend in industry is towards heterogeneous multicore processors (HMCs), including chips with CPUs and massively-threaded throughput-oriented processors (MTTOPs) such as GPUs. Although current homogeneous chips tightly couple the cores with cache-coherent shared virtual memory (CCSVM), this is not the communication paradigm used by any current HMC. In this paper, we present a CCSVM design for a CPU/MTTOP chip, as well as an extension of the pthreads programming model, called xthreads, for programming this HMC. Our goal is to evaluate the potential performance benefits of tightly coupling heterogeneous cores with CCSVM

Automatic Performance Optimization on Heterogeneous Computer Systems using Manycore Coprocessors

Emerging computer architectures and advanced computing technologies, such as Intel’s Many Integrated Core (MIC) Architecture and graphics processing units (GPU), provide a promising solution to employ parallelism for achieving high performance, scalability and low power consumption. As a result, accelerators have become a crucial part in developing supercomputers. Accelerators usually equip with different types of cores and memory. It will compel application developers to reach challenging performance goals. The added complexity has led to the development of task-based runtime systems, which allow complex computations to be expressed as task graphs, and rely on scheduling algorithms to perform load balancing between all resources of the platforms. Developing good scheduling algorithms, even on a single node, and analyzing them can thus have a very high impact on the performance of current HPC systems. Load balancing strategies, at different levels, will be critical to obtain an effective usage of the heterogeneous hardware and to reduce the impact of communication on energy and performance. Implementing efficient load balancing algorithms, able to manage heterogeneous hardware, can be a challenging task, especially when a parallel programming model for distributed memory architecture. In this paper, we presents several novel runtime approaches to determine the optimal data and task partition on heterogeneous platforms, targeting the Intel Xeon Phi accelerated heterogeneous systems

Scalable and Adaptive Load Balancing on IBM PowerNP

Web and other Internet-based server farms are a critical company resource. A solution to the increased complexity of server farms and to the need to improve the server performance in terms of scalability, fault tolerance and management is to implement a load balancing technique. It consists of a front-end machine which intelligently redirects the traffic to several Real Servers. We discuss the feasibility of implementing adaptive load balancing with minimal flow disruption on the IBM PowerNP Network Processor. We focus our attention on the steady-state part of the algorithm and propose a PowerNP-tailored mapping algorithm derived from Robust Hash Mapping. We propose and show a fast algorithm solution (despite the simple arithmetical logic of the PowerNP), as well as a scalable approach (aiming at minimizing the packet processing time) and, finally, we present some initial performance results

Preliminary Experiments with XKaapi on Intel Xeon Phi Coprocessor

International audienceThis paper presents preliminary performance comparisons of parallel applications developed natively for the Intel Xeon Phi accelerator using three different parallel programming environments and their associated runtime systems. We compare Intel OpenMP, Intel CilkPlus and XKaapi together on the same benchmark suite and we provide comparisons between an Intel Xeon Phi coprocessor and a Sandy Bridge Xeon-based machine. Our benchmark suite is composed of three computing kernels: a Fibonacci computation that allows to study the overhead and the scalability of the runtime system, a NQueens application generating irregular and dynamic tasks and a Cholesky factorization algorithm. We also compare the Cholesky factorization with the parallel algorithm provided by the Intel MKL library for Intel Xeon Phi. Performance evaluation shows our XKaapi data-flow parallel programming environment exposes the lowest overhead of all and is highly competitive with native OpenMP and CilkPlus environments on Xeon Phi. Moreover, the efficient handling of data-flow dependencies between tasks makes our XKaapi environment exhibit more parallelism for some applications such as the Cholesky factorization. In that case, we observe substantial gains with up to 180 hardware threads over the state of the art MKL, with a 47% performance increase for 60 hardware threads