Scheduling and Tuning Kernels for High-performance on Heterogeneous Processor Systems

Accelerated parallel computing techniques using devices such as GPUs and Xeon Phis (along with CPUs) have proposed promising solutions of extending the cutting edge of high-performance computer systems. A significant performance improvement can be achieved when suitable workloads are handled by the accelerator. Traditional CPUs can handle those workloads not well suited for accelerators. Combination of multiple types of processors in a single computer system is referred to as a heterogeneous system. This dissertation addresses tuning and scheduling issues in heterogeneous systems. The first section presents work on tuning scientific workloads on three different types of processors: multi-core CPU, Xeon Phi massively parallel processor, and NVIDIA GPU; common tuning methods and platform-specific tuning techniques are presented. Then, analysis is done to demonstrate the performance characteristics of the heterogeneous system on different input data. This section of the dissertation is part of the GeauxDock project, which prototyped a few state-of-art bioinformatics algorithms, and delivered a fast molecular docking program. The second section of this work studies the performance model of the GeauxDock computing kernel. Specifically, the work presents an extraction of features from the input data set and the target systems, and then uses various regression models to calculate the perspective computation time. This helps understand why a certain processor is faster for certain sets of tasks. It also provides the essential information for scheduling on heterogeneous systems. In addition, this dissertation investigates a high-level task scheduling framework for heterogeneous processor systems in which, the pros and cons of using different heterogeneous processors can complement each other. Thus a higher performance can be achieve on heterogeneous computing systems. A new scheduling algorithm with four innovations is presented: Ranked Opportunistic Balancing (ROB), Multi-subject Ranking (MR), Multi-subject Relative Ranking (MRR), and Automatic Small Tasks Rearranging (ASTR). The new algorithm consistently outperforms previously proposed algorithms with better scheduling results, lower computational complexity, and more consistent results over a range of performance prediction errors. Finally, this work extends the heterogeneous task scheduling algorithm to handle power capping feature. It demonstrates that a power-aware scheduler significantly improves the power efficiencies and saves the energy consumption. This suggests that, in addition to performance benefits, heterogeneous systems may have certain advantages on overall power efficiency

A Three-Level Parallelisation Scheme and Application to the Nelder-Mead Algorithm

We consider a three-level parallelisation scheme. The second and third levels define a classical two-level parallelisation scheme and some load balancing algorithm is used to distribute tasks among processes. It is well-known that for many applications the efficiency of parallel algorithms of the second and third level starts to drop down after some critical parallelisation degree is reached. This weakness of the two-level template is addressed by introduction of one additional parallelisation level. As an alternative to the basic solver some new or modified algorithms are considered on this level. The idea of the proposed methodology is to increase the parallelisation degree by using less efficient algorithms in comparison with the basic solver. As an example we investigate two modified Nelder-Mead methods. For the selected application, a few partial differential equations are solved numerically on the second level, and on the third level the parallel Wang's algorithm is used to solve systems of linear equations with tridiagonal matrices. A greedy workload balancing heuristic is proposed, which is oriented to the case of a large number of available processors. The complexity estimates of the computational tasks are model-based, i.e. they use empirical computational data

A Domain Specific Approach to High Performance Heterogeneous Computing

Users of heterogeneous computing systems face two problems: firstly, in understanding the trade-off relationships between the observable characteristics of their applications, such as latency and quality of the result, and secondly, how to exploit knowledge of these characteristics to allocate work to distributed computing platforms efficiently. A domain specific approach addresses both of these problems. By considering a subset of operations or functions, models of the observable characteristics or domain metrics may be formulated in advance, and populated at run-time for task instances. These metric models can then be used to express the allocation of work as a constrained integer program, which can be solved using heuristics, machine learning or Mixed Integer Linear Programming (MILP) frameworks. These claims are illustrated using the example domain of derivatives pricing in computational finance, with the domain metrics of workload latency or makespan and pricing accuracy. For a large, varied workload of 128 Black-Scholes and Heston model-based option pricing tasks, running upon a diverse array of 16 Multicore CPUs, GPUs and FPGAs platforms, predictions made by models of both the makespan and accuracy are generally within 10% of the run-time performance. When these models are used as inputs to machine learning and MILP-based workload allocation approaches, a latency improvement of up to 24 and 270 times over the heuristic approach is seen.Comment: 14 pages, preprint draft, minor revisio

Parallel Pairwise Epistasis Detection on Heterogeneous Computing Architectures

This is a post-peer-review, pre-copyedit version of an article published in IEEE Transactions on Parallel and Distributed Systems. The final authenticated version is available online at: http://dx.doi.org/10.1109/TPDS.2015.2460247.[Abstract] Development of new methods to detect pairwise epistasis, such as SNP-SNP interactions, in Genome-Wide Association Studies is an important task in bioinformatics as they can help to explain genetic influences on diseases. As these studies are time consuming operations, some tools exploit the characteristics of different hardware accelerators (such as GPUs and Xeon Phi coprocessors) to reduce the runtime. Nevertheless, all these approaches are not able to efficiently exploit the whole computational capacity of modern clusters that contain both GPUs and Xeon Phi coprocessors. In this paper we investigate approaches to map pairwise epistasic detection on heterogeneous clusters using both types of accelerators. The runtimes to analyze the well-known WTCCC dataset consisting of about 500 K SNPs and 5 K samples on one and two NVIDIA K20m are reduced by 27 percent thanks to the use of a hybrid approach with one additional single Xeon Phi coprocessor.Wellcome Trust; 076113Wellcome Trust; 085475Ministerio de Ecnomía y Competitividad; TIN2013-42148-

METADOCK: A parallel metaheuristic schema for virtual screening methods

Virtual screening through molecular docking can be translated into an optimization problem, which can be tackled with metaheuristic methods. The interaction between two chemical compounds (typically a protein, enzyme or receptor, and a small molecule, or ligand) is calculated by using highly computationally demanding scoring functions that are computed at several binding spots located throughout the protein surface. This paper introduces METADOCK, a novel molecular docking methodology based on parameterized and parallel metaheuristics and designed to leverage heterogeneous computers based on heterogeneous architectures. The application decides the optimization technique at running time by setting a configuration schema. Our proposed solution finds a good workload balance via dynamic assignment of jobs to heterogeneous resources which perform independent metaheuristic executions when computing different molecular interactions required by the scoring functions in use. A cooperative scheduling of jobs optimizes the quality of the solution and the overall performance of the simulation, so opening a new path for further developments of virtual screening methods on high-performance contemporary heterogeneous platforms.Ingeniería, Industria y Construcció

Scientific Application Acceleration Utilizing Heterogeneous Architectures

Within the past decade, there have been substantial leaps in computer architectures to exploit the parallelism that is inherently present in many applications. The scientific community has benefited from the emergence of not only multi-core processors, but also other, less traditional architectures including general purpose graphical processing units (GPGPUs), field programmable gate arrays (FPGAs), and Intel\u27s many integrated cores (MICs) architecture (i.e. Xeon Phi). The popularity of the GPGPU has increased rapidly because of their ability to perform massive amounts of parallel computation quickly and at low cost with an ease of programmability. Also, with the addition of high-level programming interfaces for these devices, technical and non-technical individuals can interface with the device and rapidly obtain improved performance for many algorithms. Many applications can take advantage of the parallelism present in distributed computing and multithreading to achieve higher levels of performance for the computationally intensive parts of the application. The work presented in this thesis implements three applications for use in a performance study of the GPGPU architecture and multi-GPGPU systems. The first application study in this research is a K-Means clustering algorithm that categorizes each data point into the closest cluster. The second algorithm implemented is a spiking neural network algorithm that is used as a computational model for machine learning. The third, and final, study is the longest common subsequences problem, which attempts to enumerate comparisons between sequences (namely, DNA sequences). The results for the aforementioned applications with varying problem sizes and architectural configurations are presented and discussed in this thesis. The K-Means clustering algorithm achieved approximately 97x speedup when utilizing an architecture consisting of 32 CPU/GPGPU pairs. To achieve this substantial speedup, up to 750,000 data points were used with up 30,000 centroids (means). The spiking neural network algorithm resulted in speedups of about 33x for the entire algorithm and 160x for each iteration with a two-level network with 1000 total neurons (800 excitatory and 200 inhibitory neurons). The longest common subsequences problem achieved speedup of greater than 10x with 100 random sequences up to 500 characters in length. The maximum speedup values for each application were achieved by utilizing the GPGPU as well as multi-core devices simultaneously. The computations were scattered over multiple CPU/GPGPU pairs with the computationally intensive pieces of the algorithms offloaded onto the GPGPU device. The research in this thesis illustrates the ability to scale a heterogeneous cluster (i.e. CPUs and GPUs working collaboratively) for large-scale scientific application performance improvements. Each algorithm demonstrates slightly different types of computations and communications, which can be compared to other algorithms to predict how they would perform on an accelerator. The results show that substantial speedups can be achieved for scientific applications when utilizing the GPGPU and multi-core architectures

Soft Computing Techiniques for the Protein Folding Problem on High Performance Computing Architectures

The protein-folding problem has been extensively studied during the last fifty years. The understanding of the dynamics of global shape of a protein and the influence on its biological function can help us to discover new and more effective drugs to deal with diseases of pharmacological relevance. Different computational approaches have been developed by different researchers in order to foresee the threedimensional arrangement of atoms of proteins from their sequences. However, the computational complexity of this problem makes mandatory the search for new models, novel algorithmic strategies and hardware platforms that provide solutions in a reasonable time frame. We present in this revision work the past and last tendencies regarding protein folding simulations from both perspectives; hardware and software. Of particular interest to us are both the use of inexact solutions to this computationally hard problem as well as which hardware platforms have been used for running this kind of Soft Computing techniques.This work is jointly supported by the FundaciónSéneca (Agencia Regional de Ciencia y Tecnología, Región de Murcia) under grants 15290/PI/2010 and 18946/JLI/13, by the Spanish MEC and European Commission FEDER under grant with reference TEC2012-37945-C02-02 and TIN2012-31345, by the Nils Coordinated Mobility under grant 012-ABEL-CM-2014A, in part financed by the European Regional Development Fund (ERDF). We also thank NVIDIA for hardware donation within UCAM GPU educational and research centers.Ingeniería, Industria y Construcció