Massively parallel approximate Gaussian process regression

We explore how the big-three computing paradigms -- symmetric multi-processor (SMC), graphical processing units (GPUs), and cluster computing -- can together be brought to bare on large-data Gaussian processes (GP) regression problems via a careful implementation of a newly developed local approximation scheme. Our methodological contribution focuses primarily on GPU computation, as this requires the most care and also provides the largest performance boost. However, in our empirical work we study the relative merits of all three paradigms to determine how best to combine them. The paper concludes with two case studies. One is a real data fluid-dynamics computer experiment which benefits from the local nature of our approximation; the second is a synthetic data example designed to find the largest design for which (accurate) GP emulation can performed on a commensurate predictive set under an hour.Comment: 24 pages, 6 figures, 1 tabl

Architecture--Performance Interrelationship Analysis In Single/Multiple Cpu/Gpu Computing Systems: Application To Composite Process Flow Modeling

Current developments in computing have shown the advantage of using one or more Graphic Processing Units (GPU) to boost the performance of many computationally intensive applications but there are still limits to these GPU-enhanced systems. The major factors that contribute to the limitations of GPU(s) for High Performance Computing (HPC) can be categorized as hardware and software oriented in nature. Understanding how these factors affect performance is essential to develop efficient and robust applications codes that employ one or more GPU devices as powerful co-processors for HPC computational modeling. The present work analyzes and understands the intrinsic interrelationship of both hardware and software categories on computational performance for single and multiple GPU-enhanced systems using a computationally intensive application that is representative of a large portion of challenges confronting modern HPC. The representative application uses unstructured finite element computations for transient composite resin infusion process flow modeling as the computational core, characteristics and results of which reflect many other HPC applications via the sparse matrix system used for the solution of linear system of equations. This work describes these various software and hardware factors and how they interact to affect performance of computationally intensive applications enabling more efficient development and porting of High Performance Computing applications that includes current, legacy, and future large scale computational modeling applications in various engineering and scientific disciplines

Predictive analysis and optimisation of pipelined wavefront applications using reusable analytic models

Pipelined wavefront computations are an ubiquitous class of high performance parallel algorithms used for the solution of many scientific and engineering applications. In order to aid the design and optimisation of these applications, and to ensure that during procurement platforms are chosen best suited to these codes, there has been considerable research in analysing and evaluating their operational performance. Wavefront codes exhibit complex computation, communication, synchronisation patterns, and as a result there exist a large variety of such codes and possible optimisations. The problem is compounded by each new generation of high performance computing system, which has often introduced a previously unexplored architectural trait, requiring previous performance models to be rewritten and reevaluated. In this thesis, we address the performance modelling and optimisation of this class of application, as a whole. This differs from previous studies in which bespoke models are applied to specific applications. The analytic performance models are generalised and reusable, and we demonstrate their application to the predictive analysis and optimisation of pipelined wavefront computations running on modern high performance computing systems. The performance model is based on the LogGP parameterisation, and uses a small number of input parameters to specify the particular behaviour of most wavefront codes. The new parameters and model equations capture the key structural and behavioural differences among different wavefront application codes, providing a succinct summary of the operations for each application and insights into alternative wavefront application design. The models are applied to three industry-strength wavefront codes and are validated on several systems including a Cray XT3/XT4 and an InfiniBand commodity cluster. Model predictions show high quantitative accuracy (less than 20% error) for all high performance configurations and excellent qualitative accuracy. The thesis presents applications, projections and insights for optimisations using the model, which show the utility of reusable analytic models for performance engineering of high performance computing codes. In particular, we demonstrate the use of the model for: (1) evaluating application configuration and resulting performance; (2) evaluating hardware platform issues including platform sizing, configuration; (3) exploring hardware platform design alternatives and system procurement and, (4) considering possible code and algorithmic optimisations

Effects of Communication Protocol Stack Offload on Parallel Performance in Clusters

The primary research objective of this dissertation is to demonstrate that the effects of communication protocol stack offload (CPSO) on application execution time can be attributed to the following two complementary sources. First, the application-specific computation may be executed concurrently with the asynchronous communication performed by the communication protocol stack offload engine. Second, the protocol stack processing can be accelerated or decelerated by the offload engine. These two types of performance effects can be quantified with the use of the degree of overlapping Do and degree of acceleration Daccs. The composite communication speedup metrics S_comm(Do, Daccs) can be used in order to quantify the combined effects of the protocol stack offload. This dissertation thesis is validated empirically. The degree of overlapping Do, the degree of acceleration Daccs, and the communication speedup Scomm characteristic of the system configurations under test are derived in the course of experiments performed for the system configurations of interest. It is shown that the proposed metrics adequately describe the effects of the protocol stack offload on the application execution time. Additionally, a set of analytical models of the networking subsystem of a PC-based cluster node is developed. As a result of the modeling, the metrics Do, Daccs, and Scomm are obtained. The models are evaluated as to their complexity and precision by comparing the modeling results with the measured values of Do, Daccs, and Scomm. The primary contributions of this dissertation research are as follows. First, the metric Daccs and Scomm are introduced in order to complement the Do metric in its use for evaluation of the effects of optimizations in the networking subsystem on parallel performance in clusters. The metrics are shown to adequately describe CPSO performance effects. Second, a method for assessing performance effects of CPSO scenarios on application performance is developed and presented. Third, a set of analytical models of cluster node networking subsystems with CPSO capability is developed and characterised as to their complexity and precision of the prediction of the Do and Daccs metrics

Enabling and scaling biomolecular simulations of 100 million atoms on petascale machines with a multicore-optimized message-driven runtime

A 100-million-atom biomolecular simulation with NAMD is one of the three benchmarks for the NSF-funded sustainable petascale machine. Simulating this large molecular system on a petascale machine presents great challenges, including handling I/O, large memory footprint and getting good strong-scaling results. In this paper, we present parallel I/O techniques to enable the simula-tion. A new SMP model is designed to efficiently utilize ubiquitous wide multicore clusters by extending the CHARM++ asynchronous message-driven runtime. We exploit node-aware techniques to op-timize both the application and the underlying SMP runtime. Hi-erarchical load balancing is further exploited to scale NAMD to the full Jaguar PF Cray XT5 (224,076 cores) at Oak Ridge Na-tional Laboratory, both with and without PME full electrostatics, achieving 93 % parallel efficiency (vs 6720 cores) at 9 ms per step for a simple cutoff calculation. Excellent scaling is also obtained on 65,536 cores of the Intrepid Blue Gene/P at Argonne National Laboratory. 1

Performance measurement and analysis of PC based cluster server using SET of Architecture and modeling a scalable High performance cluster

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