Toward optimised skeletons for heterogeneous parallel architecture with performance cost model

High performance architectures are increasingly heterogeneous with shared and distributed memory components, and accelerators like GPUs. Programming such architectures is complicated and performance portability is a major issue as the architectures evolve. This thesis explores the potential for algorithmic skeletons integrating a dynamically parametrised static cost model, to deliver portable performance for mostly regular data parallel programs on heterogeneous archi- tectures. The rst contribution of this thesis is to address the challenges of program- ming heterogeneous architectures by providing two skeleton-based programming libraries: i.e. HWSkel for heterogeneous multicore clusters and GPU-HWSkel that enables GPUs to be exploited as general purpose multi-processor devices. Both libraries provide heterogeneous data parallel algorithmic skeletons including hMap, hMapAll, hReduce, hMapReduce, and hMapReduceAll. The second contribution is the development of cost models for workload dis- tribution. First, we construct an architectural cost model (CM1) to optimise overall processing time for HWSkel heterogeneous skeletons on a heterogeneous system composed of networks of arbitrary numbers of nodes, each with an ar- bitrary number of cores sharing arbitrary amounts of memory. The cost model characterises the components of the architecture by the number of cores, clock speed, and crucially the size of the L2 cache. Second, we extend the HWSkel cost model (CM1) to account for GPU performance. The extended cost model (CM2) is used in the GPU-HWSkel library to automatically nd a good distribution for both a single heterogeneous multicore/GPU node, and clusters of heteroge- neous multicore/GPU nodes. Experiments are carried out on three heterogeneous multicore clusters, four heterogeneous multicore/GPU clusters, and three single heterogeneous multicore/GPU nodes. The results of experimental evaluations for four data parallel benchmarks, i.e. sumEuler, Image matching, Fibonacci, and Matrix Multiplication, show that our combined heterogeneous skeletons and cost models can make good use of resources in heterogeneous systems. Moreover using cores together with a GPU in the same host can deliver good performance either on a single node or on multiple node architectures

Low-overhead scheduling for improving performance of scientific applications

Application performance can degrade significantly due to node-local load imbalances during application execution on a large number of SMP nodes. These imbalances can arise from the machine, operating system, or the application itself. Although dynamic load balancing within a node can mitigate imbalances, such load balancing is challenging because of its impact to data movement and synchronization overhead. We developed a series of scheduling strategies that mitigate imbalances without incurring high overhead. Our strategies provide performance gains for various HPC codes, and perform better than widely known scheduling strategies such as OpenMP guided scheduling. Our developed scheme and methodology allows for scaling applications to next-generation clusters of SMPs with minimal application programmer intervention. We expect these techniques to be increasingly useful for future machines approaching exascale

Effective data parallel computing on multicore processors

The rise of chip multiprocessing or the integration of multiple general purpose processing cores on a single chip (multicores), has impacted all computing platforms including high performance, servers, desktops, mobile, and embedded processors. Programmers can no longer expect continued increases in software performance without developing parallel, memory hierarchy friendly software that can effectively exploit the chip level multiprocessing paradigm of multicores. The goal of this dissertation is to demonstrate a design process for data parallel problems that starts with a sequential algorithm and ends with a high performance implementation on a multicore platform. Our design process combines theoretical algorithm analysis with practical optimization techniques. Our target multicores are quad-core processors from Intel and the eight-SPE IBM Cell B.E. Target applications include Matrix Multiplications (MM), Finite Difference Time Domain (FDTD), LU Decomposition (LUD), and Power Flow Solver based on Gauss-Seidel (PFS-GS) algorithms. These applications are popular computation methods in science and engineering problems and are characterized by unit-stride (MM, LUD, and PFS-GS) or 2-point stencil (FDTD) memory access pattern. The main contributions of this dissertation include a cache- and space-efficient algorithm model, integrated data pre-fetching and caching strategies, and in-core optimization techniques. Our multicore efficient implementations of the above described applications outperform nai¨ve parallel implementations by at least 2x and scales well with problem size and with the number of processing cores

Performance engineering of hybrid message passing + shared memory programming on multi-core clusters

The hybrid message passing + shared memory programming model combines two parallel programming styles within the same application in an effort to improve the performance and efficiency of parallel codes on modern multi-core clusters. This thesis presents a performance study of this model as it applies to two Molecular Dynamics (MD) applications. Both a large scale production MD code and a smaller scale example MD code have been adapted from existing message passing versions by adding shared memory parallelism to create hybrid message passing + shared memory applications. The performance of these hybrid applications has been investigated on different multi-core clusters and compared with the original pure message passing codes. This performance analysis reveals that the hybrid message passing + shared memory model provides performance improvements under some conditions, while the pure message passing model provides better performance in others. Typically, when running on small numbers of cores the pure message passing model provides better performance than the hybrid message passing + shared memory model, as hybrid performance suffers due to increased overheads from the use of shared memory constructs. However, when running on large numbers of cores the hybrid model performs better as these shared memory overheads are minimised while the pure message passing code suffers from increased communication overhead. These results depend on the interconnect used. Hybrid message passing + shared memory molecular dynamics codes are shown to exhibit different communication profiles from their pure message passing versions and this is revealed to be a large factor in the performance difference between pure message passing and hybrid message passing + shared memory codes. An extension of this result shows that the choice of interconnection fabric used in a multi-core cluster has a large impact on the performance difference between the pure message passing and the hybrid code. The factors affecting the performance of the applications have been analytically examined in an effort to describe, generalise and predict the performance of both the pure message passing and hybrid message passing + shared memory codes

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

GPRM: a high performance programming framework for manycore processors

Processors with large numbers of cores are becoming commonplace. In order to utilise the available resources in such systems, the programming paradigm has to move towards increased parallelism. However, increased parallelism does not necessarily lead to better performance. Parallel programming models have to provide not only flexible ways of defining parallel tasks, but also efficient methods to manage the created tasks. Moreover, in a general-purpose system, applications residing in the system compete for the shared resources. Thread and task scheduling in such a multiprogrammed multithreaded environment is a significant challenge. In this thesis, we introduce a new task-based parallel reduction model, called the Glasgow Parallel Reduction Machine (GPRM). Our main objective is to provide high performance while maintaining ease of programming. GPRM supports native parallelism; it provides a modular way of expressing parallel tasks and the communication patterns between them. Compiling a GPRM program results in an Intermediate Representation (IR) containing useful information about tasks, their dependencies, as well as the initial mapping information. This compile-time information helps reduce the overhead of runtime task scheduling and is key to high performance. Generally speaking, the granularity and the number of tasks are major factors in achieving high performance. These factors are even more important in the case of GPRM, as it is highly dependent on tasks, rather than threads. We use three basic benchmarks to provide a detailed comparison of GPRM with Intel OpenMP, Cilk Plus, and Threading Building Blocks (TBB) on the Intel Xeon Phi, and with GNU OpenMP on the Tilera TILEPro64. GPRM shows superior performance in almost all cases, only by controlling the number of tasks. GPRM also provides a low-overhead mechanism, called “Global Sharing”, which improves performance in multiprogramming situations. We use OpenMP, as the most popular model for shared-memory parallel programming as the main GPRM competitor for solving three well-known problems on both platforms: LU factorisation of Sparse Matrices, Image Convolution, and Linked List Processing. We focus on proposing solutions that best fit into the GPRM’s model of execution. GPRM outperforms OpenMP in all cases on the TILEPro64. On the Xeon Phi, our solution for the LU Factorisation results in notable performance improvement for sparse matrices with large numbers of small blocks. We investigate the overhead of GPRM’s task creation and distribution for very short computations using the Image Convolution benchmark. We show that this overhead can be mitigated by combining smaller tasks into larger ones. As a result, GPRM can outperform OpenMP for convolving large 2D matrices on the Xeon Phi. Finally, we demonstrate that our parallel worksharing construct provides an efficient solution for Linked List processing and performs better than OpenMP implementations on the Xeon Phi. The results are very promising, as they verify that our parallel programming framework for manycore processors is flexible and scalable, and can provide high performance without sacrificing productivity

Multicore Architecture-aware Scientific Applications

Modern high performance systems are becoming increasingly complex and powerful due to advancements in processor and memory architecture. In order to keep up with this increasing complexity, applications have to be augmented with certain capabilities to fully exploit such systems. These may be at the application level, such as static or dynamic adaptations or at the system level, like having strategies in place to override some of the default operating system polices, the main objective being to improve computational performance of the application. The current work proposes two such capabilites with respect to multi-threaded scientific applications, in particular a large scale physics application computing ab-initio nuclear structure. The first involves using a middleware tool to invoke dynamic adaptations in the application, so as to be able to adjust to the changing computational resource availability at run-time. The second involves a strategy for effective placement of data in main memory, to optimize memory access latencies and bandwidth. These capabilties when included were found to have a significant impact on the application performance, resulting in average speedups of as much as two to four times