Publications

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The high performance computing industry is undergoing a period of substantial change. Not least because of fabrication and lithographic challenges in the manufacturing of next-generation processors. As such challenges mount, the industry is looking to generate higher performance from additional functionality in the micro-architecture space as well as a greater emphasis on efficiency in the design of networkon-chip resources and memory subsystems. Such variation in design opens opportunities for new entrants in the data center and server markets where varying compute-to-memory ratios can present end users with more efficient node designs for particular workloads. In this paper we compare the recently released Marvell ThunderX2 Arm processor - arguably the first high-performance computing capable Arm design available in the marketplace. We perform a set of micro-benchmarking and mini-application evaluation on the ThunderX2 comparing it with Intel's Haswell and Skylake Xeon server parts commonly used in contemporary HPC designs. Our findings show that no one processor performs the best across all benchmarks, but that the ThunderX2 excels in areas demanding high memory bandwidth due to the provisioning of more memory channels in its design. We conclude that the ThunderX2 is a serious contender in the HPC server segment and has the potential to offer supercomputing sites with a viable high-performance alternative to existing designs from established industry players.

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Computational fluid dynamics (CFD)-based wear predictions are computationally expensive to evaluate, even with a high-performance computing infrastructure. Thus, it is difficult to provide accurate local wear predictions in a timely manner. Data-driven approaches provide a more computationally efficient way to approximate the CFD wear predictions without running the actual CFD wear models. In this paper, a machine learning (ML) approach, termed WearGP, is presented to approximate the 3D local wear predictions, using numerical wear predictions from steady-state CFD simulations as training and testing datasets. The proposed framework is built on Gaussian process (GP) and utilized to predict wear in a much shorter time. The WearGP framework can be segmented into three stages. At the first stage, the training dataset is built by using a number of CFD simulations in the order of O(102). At the second stage, the data cleansing and data mining processes are performed, where the nodal wear solutions are extracted from the solution database to build a training dataset. At the third stage, the wear predictions are made, using trained GP models. Two CFD case studies including 3D slurry pump impeller and casing are used to demonstrate the WearGP framework, in which 144 training and 40 testing data points are used to train and test the proposed method, respectively. The numerical accuracy, computational efficiency and effectiveness between the WearGP framework and CFD wear model for both slurry pump impellers and casings are compared. It is shown that the WearGP framework can achieve highly accurate results that are comparable with the CFD results, with a relatively small size training dataset, with a computational time reduction on the order of 105 to 106.

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Since the attacks carried out against the United States on September 11, 2001, which involved the commandeering of commercial aircraft, interest has increased in performing trajectory analysis of vehicle types not constrained by roadways or railways, i.e., aircraft and watercraft. Anomalous trajectories need to be automatically identified along with other trajectories of interest to flag them for further investigation. There is also interest in analyzing trajectories without a focus on anomaly detection. Various approaches to analyzing these trajectories have been undertaken with useful results to date. In this research, we seek to augment trajectory analysis by carrying out analysis of the trajectory curvature along with other parameters, including distance and total deflection (change in direction). At each point triplet in the ordered sequence of points, these parameters are computed. Adjacent point triplets with similar values are grouped together to form a higher level of semantic categorization. These categorizations are then analyzed to form a yet higher level of categorization which has more specific semantic meaning. This top level of categorization is then summarized for all trajectories under study, allowing for fast identification of trajectories with various semantic characteristics.

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Bayesian optimization is an effective surrogate-based optimization method that has been widely used for simulation-based applications. However, the traditional Bayesian optimization (BO) method is only applicable to single-fidelity applications, whereas multiple levels of fidelity exist in reality. In this work, we propose a bi-fidelity known/unknown constrained Bayesian optimization method for design applications. The proposed framework, called sBF-BO-2CoGP, is built on a two-level CoKriging method to predict the objective function. An external binary classifier, which is also another CoKriging model, is used to distinguish between feasible and infeasible regions. The sBF-BO-2CoGP method is demonstrated using a numerical example and a flip-chip application for design optimization to minimize the warpage deformation under thermal loading conditions.

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This report presents a specification for the Portals 4 network programming interface. Portals 4 is intended to allow scalable, high-performance network communication between nodes of a parallel computing system. Portals 4 is well suited to massively parallel processing and embedded systems. Portals 4 represents an adaption of the data movement layer developed for massively parallel processing platforms, such as the 4500-node Intel TeraFLOPS machine. Sandia's Cplant cluster project motivated the development of Version 3.0, which was later extended to Version 3.3 as part of the Cray Red Storm machine and XT line. Version 4 is targeted to the next generation of machines employing advanced network interface architectures that support enhanced offload capabilities.