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The Automated Instrumentation and Monitoring System (AIMS) reference manual

Whether a researcher is designing the 'next parallel programming paradigm,' another 'scalable multiprocessor' or investigating resource allocation algorithms for multiprocessors, a facility that enables parallel program execution to be captured and displayed is invaluable. Careful analysis of execution traces can help computer designers and software architects to uncover system behavior and to take advantage of specific application characteristics and hardware features. A software tool kit that facilitates performance evaluation of parallel applications on multiprocessors is described. The Automated Instrumentation and Monitoring System (AIMS) has four major software components: a source code instrumentor which automatically inserts active event recorders into the program's source code before compilation; a run time performance-monitoring library, which collects performance data; a trace file animation and analysis tool kit which reconstructs program execution from the trace file; and a trace post-processor which compensate for data collection overhead. Besides being used as prototype for developing new techniques for instrumenting, monitoring, and visualizing parallel program execution, AIMS is also being incorporated into the run-time environments of various hardware test beds to evaluate their impact on user productivity. Currently, AIMS instrumentors accept FORTRAN and C parallel programs written for Intel's NX operating system on the iPSC family of multi computers. A run-time performance-monitoring library for the iPSC/860 is included in this release. We plan to release monitors for other platforms (such as PVM and TMC's CM-5) in the near future. Performance data collected can be graphically displayed on workstations (e.g. Sun Sparc and SGI) supporting X-Windows (in particular, Xl IR5, Motif 1.1.3).

Yan, Jerry↗

Spectral calibration analysis of the airborne oceanographic lidar

Efforts were concentrated on the spectral resolution of the Airborne Oceanographic Lidar (AOL). This year's work was targeted towards the analysis of calibration techniques to enable the AOL to measure absolute radiances of both passive and active modes of operation. Absolute spectral calibration of the AOL is necessary in order to fully understand and monitor the sensitivity and stability of the total system. Calibration is also needed to obtain valid surface truth data, with which to improve the accuracy of satellite-borne oceanic color scanners. In particular, accurate measurements of oceanic chlorophyll concentrations rests upon reliable irradiance calibrations of both laser induced and solar induced chlorophyll fluoresence. An analysis was performed on the spectral calibration methods used by the AOL. The optical path of the instrumentation was examined to study how the radiance from a calibration sphere was influenced. Ray tracing analysis was performed, including the Cassegrain-telescope optics. It was determined that the calibration radiance was significantly effected by optical-defocusing, due to close positioning of the calibration sphere with respect to the telescope. Since the multi-mode usages of the AOL require varying altitudes and trajectories, a computational algorithm was developed to compensate for image distortions of the telescope optics. Secondary mirror blockage, secondary vignetting, and beam divergence was determined, in order to account for the actual amount of calibrated flux received at the spectral sensors.

Rousey, Carlton E.↗

SYMBIOSYS: A Methodology for Performance Analysis of Composable HPC Data Services

Microservices are a powerful new way of building, customizing, and deploying distributed services owing to their flexibility and maintainability. Several large-scale distributed platforms have emerged to serve the growing needs of data-centric workloads and services in commercial computing. Concurrently, high-performance computing (HPC) systems and software are rapidly evolving to meet the demands of diversified applications and heterogeneity. The interplay of hardware factors, software configuration parameters, and the flexibility offered with a microservice architecture makes it nontrivial to estimate the optimal service instantiation for a given application workload. Further, this problem is exacerbated when considering that these services operate in a dynamic and heterogeneous HPC environment. An optimally integrated service can be vastly more performant than a haphazardly integrated one. Existing performance tools for HPC either fail to understand the request-response model of communication inherent to microservices or they operate within a narrow scope, limiting the insight that can be gleaned from employing them in isolation. We propose a methodology for integrated performance analysis of HPC microservices frameworks and applications called SYMBIOSYS. We describe its design and implementation within the context of the Mochi framework. This integration is achieved by combining distributed callpath profiling and tracing with a performance data exchange strategy that collects fine-grained, low-level metrics from the RPC communication library and network layers. The result is a portable, low-overhead performance analysis setup that provides a holistic profile of the dependencies among microservices and how they interact with the Mochi RPC software stack. Using HEPnOS, a production-quality Mochi data service, we demonstrate the low-overhead operation of SYMBIOSYS at scale and use it to identify the root causes of poorly performing service configurations.

microservices↗

Validation of IMERG Oceanic Precipitation over Kwajalein

The integrated Multi-satellitE Retrievals for GPM (IMERG) Version V05B and V06B precipitation products from the Global Precipitation Measurement (GPM) mission are validated against ground-based observations from the Kwajalein Polarimetric S-band Weather Radar (KPOL) deployed at Kwajalein Atoll in the central Pacific Ocean. Such a validation is particularly important as comprehensive surface measurements over the oceans are practically infeasible, which hampers the identification of possible errors, and improvement of future versions of IMERG and other satellitebased retrieval algorithms. The V05B and V06B IMERG products are validated at their native 0.1°, 30 min resolution from 2014 to 2018 based on both volumetric and categorical metrics. This validation study indicates that precipitation rates from both IMERG V05B and V06B are underestimated with respect to radar surface estimates, but the underestimation is much reduced from V05B IMERG V06B outperforms V05B with reduced systematic bias and improved precipitation detectability. The IMERG performance is further traced back to its individual sensors and morphing-based algorithms. The overall underestimation in V05B is mainly driven by the negative relative biases from morphing-based algorithms which are largely corrected in V06B. Imagers perform generally better than sounders because of the usage of low-frequency channels in imagers which can better detect emission signals by the hydrometeors. Among imagers, the GPM Microwave Imager (GMI) and Advanced Microwave Scanning Radiometer Version 2 (AMSR2) are the best, followed by Special Sensor Microwave Imager/Sounder (SSMIS). Among sounders, the Microwave Humidity Sounder (MHS) is the best, followed by Advanced Technology Microwave Sounder (ATMS) and the Sounder for Atmospheric Profiling of Humidity in the Intertropics by Radiometry (SAPHIR) for V06B. Among all categories, morph-only and IR+morph only perform better than SAPHIR. SAPHIR shows the worst performance among all categories, likely due to its limited channel selection. It is envisaged that these results will improve our understanding of IMERG performance over oceans and aid in the improvement of future versions of IMERG.

KPOL↗

Year-round trace gas measurements in the central Arctic during the MOSAiC expedition

Despite the key role of the Arctic in the global Earth system, year-round in-situ atmospheric composition observations within the Arctic are sparse and mostly rely on measurements at ground-based coastal stations. Measurements of a suite of in-situ trace gases were performed in the central Arctic during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition. These observations give a comprehensive picture of year-round near-surface atmospheric abundances of key greenhouse and trace gases, i.e., carbon dioxide, methane, nitrous oxide, ozone, carbon monoxide, dimethylsulfide, sulfur dioxide, elemental mercury, and selected volatile organic compounds (VOCs). Redundancy in certain measurements supported continuity and permitted cross-evaluation and validation of the data. This paper gives an overview of the trace gas measurements conducted during MOSAiC and highlights the high quality of the monitoring activities. In addition, in the case of redundant measurements, merged datasets are provided and recommended for further use by the scientific community.

54 ENVIRONMENTAL SCIENCES↗

Optical analysis of parabolic dish concentrators for solar dynamic power systems in space

An optical analysis of a parabolic solar collection system operating in Earth orbit was performed using ray tracing techniques. The analysis included the effects of: (1) solar limb darkening, (2) parametric variation of mirror surface error, (3) parametric variation of mirror rim angle, and (4) parametric variation of alignment and pointing error. This ray tracing technique used numerical integration to combine the effects of rays emanating from different parts of the sun at different intensities with the effects of normally distributed mirror-surface errors to compute the angular intensity distribution of rays leaving the mirror surface. A second numerical integration was then performed over the surface of the parabolic mirror to compute the radial distribution of brightness at the mirror focus. Major results of the analysis included: (1) solar energy can be collected at high temperatures with high efficiency, (2) higher absorber temperatures can be achieved at lower efficiencies, or higher efficiencies can be achieved at lower temperatures, and (3) collection efficiency is near its maximum level across a broad plateau of rim angles from 40 deg to 70 deg.

Jefferies, K. S.↗

Technical feasibility of a modular dish solar electric system

The paper presents the technical feasibility of generating electricity by using a gas turbine in conjunction with a paraboloid of revolution (dish) solar concentrator. A conceptual design of a dish concentrator is obtained by parametrically examining the significant optical parameters. The optical performance analysis was conducted using a Monte Carlo ray-trace simulation program. The performance of four candidate thermodynamic cycles utilizing two working fluids was analyzed; the cycles were the regenerative and nonregenerative Brayton cycles of both open and closed type. Air and helium were the working fluids for the open and closed type respectively. Heat transfer from the solar radiation to the gas flowing in metal tubes at the receiver was also analyzed. A paraboloid of revolution dish with a cavity receiver using an open air regenerative Brayton cycle turbine emerged as a technically feasible concept in the power range from 30 to 100 KWth per module.

Gupta, B. P.↗

A Measurement and Simulation Based Methodology for Cache Performance Modeling and Tuning

We present a cache performance modeling methodology that facilitates the tuning of uniprocessor cache performance for applications executing on shared memory multiprocessors by accurately predicting the effects of source code level modifications. Measurements on a single processor are initially used for identifying parts of code where cache utilization improvements may significantly impact the overall performance. Cache simulation based on trace-driven techniques can be carried out without gathering detailed address traces. Minimal runtime information for modeling cache performance of a selected code block includes: base virtual addresses of arrays, virtual addresses of variables, and loop bounds for that code block. Rest of the information is obtained from the source code. We show that the cache performance predictions are as reliable as those obtained through trace-driven simulations. This technique is particularly helpful to the exploration of various "what-if' scenarios regarding the cache performance impact for alternative code structures. We explain and validate this methodology using a simple matrix-matrix multiplication program. We then apply this methodology to predict and tune the cache performance of two realistic scientific applications taken from the Computational Fluid Dynamics (CFD) domain.

Waheed, Abdul↗

Multilayer X-ray imaging systems

An assessment of the imaging properties of multilayer X-ray imaging systems with spherical surfaces has been made. A ray trace analysis was performed to investigate the effects of using spherical substrates (rather than the conventional paraboloidal/hyperboloidal contours) for doubly reflecting Cassegrain telescopes. These investigations were carried out for mirrors designed to operate at selected soft X-ray/XUV wavelengths that are of significance for studies of the solar corona/transition region from the Stanford/MSFC Rocket X-Ray Telescope. The effects of changes in separation of the primary and secondary elements were also investigated. These theoretical results are presented as well as the results of ray trace studies to establish the resolution and vignetting effects as a function of field angle and system parameters.

Shealy, David L.↗

Fast physics-based launcher optimization for electron cyclotron current drive

With the increased urgency to design fusion pilot plants, fast optimization of electron cyclotron current drive (ECCD) launchers is paramount. Traditionally, this is done by coarsely sampling the 4D parameter space of possible launch conditions consisting of (1) the launch location (constrained to lie along the reactor vessel), (2) the launch frequency, (3) the toroidal launch angle, and (4) the poloidal launch angle. For each initial condition, a ray-tracing simulation is performed to evaluate the ECCD efficiency. Unfortunately, this approach often requires a large number of simulations (sometimes millions in extreme cases) to build up a dataset that adequately covers the plasma volume, which must then be repeated every time the design point changes. Here we adopt a different approach. Rather than launching rays from the plasma periphery and hoping for the best, we instead directly reconstruct the optimal ray for driving current at a given flux surface using a reduced physics model coupled with a commercial ray-tracing code. Repeating this throughout the plasma volume requires only hundreds of simulations, constituting a significant speedup. The new method is validated on two separate example tokamak profiles, and is shown to reliably drive localized current at the specified flux surface with the same optimal efficiency as obtained from the traditional approach.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Minimizing Ground Risk in Cellular-Connected Drone Corridors With mmWave Links

Unmanned Aircraft Systems (UASs) have been receiving significant interest and support from academia, industry, and regulatory bodies over the past decade due to their various use cases. To safely integrate UAS operations into the national airspace, particularly overpopulated regions, the risk posed to ground users, buildings, and vehicles due to unmanned aerial vehicle (UAV) flight should be minimized. This risk can be represented by a numerical metric, which we refer to in this article as the “ground risk.” Many UAS applications also depend on the presence of a reliable wireless communication link between the UAV and a control station for the transmission of UAV position, surveillance video, UAV payload commands, and other mission-related data. Such wireless communication requirements also need to be considered in the design of UAS operations. In this article, we consider both these aspects and study the design of nonintersecting trajectories for UAS operations to minimize ground risk, subject to constraints on the wireless signal strength and geometry of the trajectory, specified in terms of: 1) an enclosing cylinder within which the trajectory must lie and 2) an integrated angular change along the UAV's trajectory. The performance of a computationally expensive optimal algorithm is compared with that of a computationally faster heuristic approach within the dense urban environment of Manhattan, NY, USA. Performance evaluation using ray-tracing simulations shows that the heuristic approach performs close to the optimal algorithm at a reduced computation cost. In conclusion, this research can be utilized to make UAS operations safe and reliable and accelerate their adoption.

99 GENERAL AND MISCELLANEOUS↗

Performance analysis and data reduction for exascale scientific workflows

Chimbuko is the first in situ, scalable, workflow-level performance analysis tool for trace-level analysis and visualization of application performance. This tool was developed by the Co-design Center for Online Data Analysis and Reduction and funded by the U.S. Department of Energy’s Exascale Computing Project. We provide a detailed description of Chimbuko’s architecture and illustrate our online and offline visualization with multiple use cases. We also present results for the deployment and scalability of the tool as applied to a high-energy physics workflow running at large scale on the Frontier supercomputer.

97 MATHEMATICS AND COMPUTING↗

Boosting alkaline hydrogen evolution: the dominating role of interior modification in surface electrocatalysis

The alkaline hydrogen evolution reaction (A-HER) holds great promise for clean hydrogen fuel generation but its practical utilization is severely hindered by the sluggish kinetics for water dissociation in alkaline solutions. Traditional ways to improve the electrochemical kinetics for A-HER catalysts have been focusing on surface modification, which still can not meet the demanding requirements for practical water electrolysis because of catalyst surface deactivation. In this work, we report an interior modification strategy to significantly boost the A-HER performance. Specifically, a trace amount of Pt was doped in the interior Co 2 P (Pt–Co 2 P) to introduce a stronger dopant–host interaction than that of the surface-modified catalyst. Consequently, the local chemical state and electronic structure of the catalysts were adjusted to improve the electron mobility and reduce the energy barriers for hydrogen adsorption and H–H bond formation. As a proof-of-concept, the interior-modified Pt–Co 2 P shows a reduced onset potential at near-zero volts for the A-HER, low overpotentials of 2 mV and 58 mV to achieve 10 and 100 mA cm –2 , and excellent durability for long-term utilization. The interior-modified Pt–Co 2 P delivers superior A-HER performance to Pt/C and other state-of-the-art electrocatalysts. This work will open a new avenue for A-HER catalyst design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Trace levels of PtRu on NiMo foam electrodes towards hydrogen evolution reaction

Electrochemical water splitting plays a critical role in high purity hydrogen production. To lower capital cost and energy consumption, efficient catalysts are required to boost the hydrogen evolution reaction (HER), especially in alkaline media. Although PtRu alloy materials are still considered the state-of-the-art catalyst for the HER under alkaline media, large-scale application is hindered by its scarcity and high cost. NiMo alloy catalysts can be potential Pt-free alternatives to drive the sluggish kinetics of the HER under alkaline media, but their HER activity is still not ideal due to the limitation of Volmer step. Herein, we investigated the impact of trace levels of PtRu catalysts on NiMo electrodes towards the HER by incorporating advantages of both PtRu and NiMo catalysts to minimize cost and maintain a promising HER activity. Trace levels of PtRu catalysts from 0.0173 to 0.2648 mg cm −2 were loaded on commercial NiMo foam electrodes by a facile electrodeposition technique utilizing ppm concentration levels of PtRu in electrolyte. The results show that 0.0173 mg cm −2 PtRu loading on NiMo electrode can significantly enhance HER activity compared to the pristine NiMo foam electrode (Tafel slopes drop from ∼170 to ∼60 mV dec −1 ) due to the remarkable decline of energy barriers towards water dissociation and hydrogen adsorption. Meanwhile, the rate determining step (RDS) switches from the Volmer step to the Heyrovsky step when the PtRu loading increases to 0.0675 mg cm −2 . Promising catalytic stability is observed at 100 mA cm −2 over the course of 50 h with a PtRu loading of 0.1198 mg cm −2 . In conclusion, this work demonstrates a potential strategy to decrease the cost and simultaneously maintain superior HER performance by integrating trace levels of PtRu catalyst with NiMo foam electrodes.

Electrochemical water splitting↗

A numerical study of the spectral radiative properties of packed bed with mixed bauxite and silica spheres

Bauxite and silica particles have gained increasing attention for applications in the field of concentrated solar power. In this work, a Monte Carlo ray-tracing simulation is performed to predict the radiative properties (absorptance, reflectance, and transmittance) of packed beds with mixed bauxite and silica spherical particles at wavelengths of 0.5, 2.6, 9.0, and 9.35 µm. These wavelengths are representative for the visible, near-infrared, and the mid-infrared regions that are important for solar and thermal radiation, respectively. A repeating unit-column approach is used to mathematically represent the particle bed. The effects of particle mixing ratio, volume fraction, and wavelength on the predicted radiative properties are examined. The obtained radiative properties are inputted to an inverse method to retrieve the effective absorption and scattering coefficients as well as the scattering albedo, which may be later used in a continuous-scale radiative heat transfer analysis. Furthermore, the independent scattering model is used to obtain the absorption coefficient and scattering albedo based on the absorption and scattering cross sections predicted by a Monte Carlo algorithm for a single particle. It is shown that the independent scattering model underpredicts the scattering coefficient for opaque particles but overpredicts the scattering coefficient for semitransparent particles for sufficiently high particle volume fractions. Here, the radiative properties calculated from the independent scattering model are compared to the full Monte Carlo simulation of the particle bed to examine the influence of particle mixing on dependent scattering.

42 ENGINEERING↗

Hydrogen Analysis by Gas Chromatography–Mass Spectrometry

The detection of hydrogen in complex gas mixtures is essential for many applications. Conventional approaches such as gas chromatography (GC) with thermal conductivity detection (TCD) and residual gas analyzers (RGAs) face significant limitations: TCD exhibits poor response when helium is used as a carrier gas, whereas RGAs lack chromatographic separation, preventing reliable quantification of hydrogen because of interference from other species. Traditional GC methods rely on dual-column configurations with packed or molecular-sieve porous layer open tubular (PLOT) columns to separate hydrogen from O2, N2, CO, CO2, CH4, and other hydrocarbons, increasing system complexity and limiting compatibility with mass spectrometry (MS) detection. In this work, we developed and validated a robust GC–MS method capable of directly detecting and quantifying hydrogen using electron ionization (EI) without dopants, reagent gases, or ion–molecule reaction schemes. By integrating a modified EI source and a cryogenically cooled single capillary column configuration, we achieved baseline separation of hydrogen from all major permanent gases and hydrocarbons in a refinery gas mixture using helium as the carrier gas. The method demonstrated excellent linearity, high sensitivity, and exceptional reproducibility. Adjustable sample-loop volumes and split ratios enabled optimization of peak shape and signal-to-noise performance for trace-level and percent-level hydrogen concentrations. Beyond hydrogen quantitation, the method provides simultaneous compositional profiling of other gases in a mixture in a single run, making it valuable for a wide range of tasks.

Lobodin, Vlad [ORNL]↗

The Ghost of Performance Reproducibility Past

The importance of ensemble computing is well established. However, executing ensembles at scale introduces interesting performance fluctuations that have not been well investigated. In this paper, we trace our experience uncovering performance fluctuations of ensemble applications (primarily constituting a workflow of GROMACS tasks), and unsuccessful attempts, so far, at trying to discern the underlying cause(s) of performance fluctuations. Is the failure to discern the causative or contributing factors a failure of capability? Or imagination? Do the fluctuations have their genesis in some inscrutable aspect of the system or software? Does it warrant a fundamental reassessment and rethinking of how we assume and conceptualize performance reproducibility? Answers to these questions are not straightforward, nor are they immediate or obvious. We conclude with a discussion about the performance of ensemble applications and ruminate over the implications for how we define and measure application performance.

97 MATHEMATICS AND COMPUTING↗