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At least 307 records · Page 17

Accelerating Collective Communication in Data Parallel Training across Deep Learning Frameworks

This work develops new techniques within Horovod, a generic communication library supporting data parallel training across deep learning frameworks. In particular, we improve the Horovod control plane by implementing a new coordination scheme that takes advantage of the characteristics of the typical data parallel training paradigm, namely the repeated execution of collectives on the gradients of a fixed set of tensors. Using a caching strategy, we execute Horovod’s existing coordinator-worker logic only once during a typical training run, replacing it with a more efficient decentralized orchestration strategy using the cached data and a global intersection of a bitvector for the remaining training duration. Next, we introduce a feature for end users to explicitly group collective operations, enabling finer grained control over the communication buffer sizes. To evaluate our proposed strategies, we conduct experiments on a world-class supercomputer — Summit. We compare our proposals to Horovod’s original design and observe 2x performance improvement at a scale of 6000 GPUs; we also compare them against tf.distribute and torch.DDP and achieve 12% better and comparable performance, respectively, using up to 1536 GPUs; we compare our solution against BytePS in typical HPC settings and achieve about 20% better performance on a scale of 768 GPUs. Finally, we test our strategies on a scientific application (STEMDL) using up to 27,600 GPUs (the entire Summit) and show that we achieve a near-linear scaling of 0.93 with a sustained performance of 1.54 exaflops (with standard error +- 0.02) in FP16 precision.

Romero, Joshua↗

Studying Performance Portability of LAMMPS across Diverse GPU-based Platforms

The molecular dynamics simulation software, LAMMPS, utilizes the Kokkos acceleration library to port computation to a diverse set of architectures including those based on GPU accelerators. In addition to Kokkos, LAMMPS contains a vast code base that leverages the CUDA application programming interface using library functions such as cuFFT, CUDA’s fast-fourier transform (FFT) library, and, more recently, also support for AMD’s Heterogeneous Interface for Portability (HIP) that is rapidly growing. While preparing LAMMPS tests for the AMD GPU-based test system precursors to Frontier, we investigated several strategies for accelerating LAMMPS on AMD GPUs, using the AMD Instinct MI100 and MI250X. In this work, we integrated the HIP FFT library, hipFFT, into the particle-particle particle-mesh (PPPM) long-range solver, which allowed the porting of PPPM calculations to the GPUs. Kokkos behavior on the MI100 and MI250X was also investigated through the package kokkos command of LAMMPS, targeting com- munication, memory usage, and particle grid decomposition. The Tersoff, Reax, Lennard-Jones (LJ), EAM, Granular, and PPPM potentials were investigated in this effort, and results from these experiments are provided. The selected potentials were run on Spock (AMD Instinct MI100), Crusher (AMD Instinct MI250X), AFW HPC11 (NVIDIA A100) and Summit (NVIDIA V100), for comparison. Operational roofline models were constructed and analyzed for the Tersoff, Reax, and Lennard-Jones potentials on Crusher and Summit.

Hagerty, Nick↗

Simulation tools, first results and experimental status of the MURAVES experiment

The MUon RAdiography of VESuvius (MURAVES) project aims at the study of Mt. Vesuvius, an active and hazardous volcano near Naples, Italy, with the use of muons freely and abundantly produced by cosmic rays. In particular, the MURAVES experiment intends to perform muographic imaging of the internal structure of the summit of Mt. Vesuvius. The challenging measurement of the rock density distribution in its summit by muography, in conjunction with data from other geophysical techniques, can help model possible eruption dynamics. The MURAVES apparatus consists of an array of three independent and identical muon trackers, with a total sensitive area of 3 square meters. In each tracker, a sequence of 4 XY tracking planes made of plastic scintillators is complemented by a 60 cm thick lead wall inserted between the two downstream planes to improve rejection of background from low energy muons. The apparatus is currently acquiring data. This paper presents preliminary results from the analysis of the first data samples acquired with trackers pointing towards Mt. Vesuvius, including the first relative measurement of the density projection of two flanks of the volcano at three different altitudes; we also present the workflow of the simulation chain of the MURAVES experiment and its ongoing developments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Accelerating Application Bulk Synchronous Writes in HPC Environments

High-bandwidth storage tiers are becoming more common for their capability to absorb high-rate, bursty I/Os. Notably, the designs of these fast storage tiers differ from system to system. The variation of these layers and non-uniform methods of access can pose chal- lenges for applications seeking to run at multiple HPC facilities. Therefore, in this work, we present Spectral, a rapid-output ab- straction library to accelerate application, bulk-synchronous writes on HPC systems. We design Spectral to enable applications to use high-bandwidth storage, such as node-local storage and dis- tributed, write-caches (e.g., burst buffers) transparently without requiring modifications to the application or file system source code. The key idea is to allow applications to spend most of the time performing productive work and to not require any source code changes for maximum portability on different HPC archi- tectures. Spectral internally re-routes write-only files through available, high-performance I/O resources before ultimately mi- grating them to the shared global parallel file system. For instance, on Summit, Spectral transparently places application outputs on node-local storage and then utilizes asynchronous migration to the center-wide GPFS file system. We evaluate Spectral on the Summit HPC system (1024 nodes) using the IOR benchmark and real scientific applications. Spectral shows linear performance scaling, improving application write performance by over an order of magnitude when compared to GPFS.

Khan, Awais↗

Consensus statement for stability assessment and reporting for perovskite photovoltaics based on ISOS procedures

Improving the long-term stability of perovskite solar cells is critical to the deployment of this technology. Despite the great emphasis laid on stability-related investigations, publications lack consistency in experimental procedures and parameters reported. It is therefore challenging to reproduce and compare results and thereby develop a deep understanding of degradation mechanisms. Here, we report a consensus between researchers in the field on procedures for testing perovskite solar cell stability, which are based on the International Summit on Organic Photovoltaic Stability (ISOS) protocols. We propose additional procedures to account for properties specific to PSCs such as ion redistribution under electric fields, reversible degradation and to distinguish ambient-induced degradation from other stress factors. These protocols are not intended as a replacement of the existing qualification standards, but rather they aim to unify the stability assessment and to understand failure modes. Finally, we identify key procedural information which we suggest reporting in publications to improve reproducibility and enable large data set analysis.

14 SOLAR ENERGY↗

Evaluating Energy Savings Measures for Building Retrofits in an Interactive Workshop Environment

As part of the Better Buildings Summit 2025, a workshop was developed to simulate the decision process for implementing a set of energy savings measures on an existing building. As part of the workshop a "game" was created around energy savings strategies, and workshop participants selected renovation cards that provided data around the impacts of that renovation choice. Participants then were able to calculate overall savings and payback from the selected retrofit opportunities. This publication has been produced to package the resources used in the activity in an organized document so that the materials can be distributed and reused more broadly. It provides a comprehensive framework for replicating the workshop, including step-by-step instructions, retrofit "game cards" with data points, and facilitation guidance. By using these materials, readers can conduct their own version of this interactive workshop with stakeholders in their networks, such as building owners, energy managers, or policy makers. The goal is to empower users to simulate the decision-making processes for energy projects, foster collaboration, and drive meaningful discussions around cost-effective retrofit opportunities and goal-oriented outcomes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Temperature and water vapor mixing ratio profiles retrieved from the MWR

The purpose of this study was to look at the thermodynamic and microphysical evolution the atmosphere during fog events at Summit. These cases were selected due to the presence of fog during a period when additional aerosol sensors where deployed on the colocated tower.

54 ENVIRONMENTAL SCIENCES↗

A New Generation of Innovation

This presentation discussed how the consortium approach can help advance all early-stage water splitting technologies and enable a new generation of innovation. Presented during the Advanced Pathways Breakout Panel Session at the DOE Hydrogen Shot Summit, September 1, 2021.

advanced water splitting materials↗

Seismicity and structure of Akutan and Makushin Volcanoes, Alaska, using joint body and surface wave tomography

Joint inversions of seismic data recover models that simultaneously fit multiple constraints while playing upon the strengths of each data type. Here, we jointly invert 14 years of local earthquake body wave arrival times from the Alaska Volcano Observatory catalog and Rayleigh wave dispersion curves based upon ambient noise measurements for local V p , V s , and hypocentral locations at Akutan and Makushin Volcanoes using a new joint inversion algorithm.The velocity structure and relocated seismicity of both volcanoes are significantly more complex than many other volcanoes studied using similar techniques. Seismicity is distributed among several areas beneath or beyond the flanks of both volcanoes, illuminating a variety of volcanic and tectonic features. The velocity structures of the two volcanoes are exemplified by the presence of narrow high-V p features in the near surface, indicating likely current or remnant pathways of magma to the surface. A single broad low-V p region beneath each volcano is slightly offset from each summit and centered at approximately 7 km depth, indicating a potential magma chamber, where magma is stored over longer time periods. Differing recovery capabilities of the Vp and Vs datasets indicate that the results of these types of joint inversions must be interpreted carefully.

58 GEOSCIENCES↗

Continental heat anomalies and the extreme melting of the Greenland ice surface in 2012 and 1889: Melting of Greenland in 1889 and 2012

Recent decades have seen increased melting of the Greenland ice sheet. On 11 July 2012, nearly the entire surface of the ice sheet melted; such rare events last occurred in 1889 and, prior to that, during the Medieval Climate Anomaly. Studies of the 2012 event associated the presence of a thin, warm elevated liquid cloud layer with surface temperatures rising above the melting point at Summit Station, some 3212m above sea level. Here we explore other potential factors in July 2012 associated with this unusual melting. These include (1) warm air originating from a record North American heat wave, (2) transitions in the Arctic Oscillation, (3) transport of water vapor via an Atmospheric River over the Atlantic to Greenland, and (4) the presence of warm ocean waters south of Greenland. For the 1889 episode, the Twentieth Century Reanalysis and historical records showed similar factors at work. However, markers of biomass burning were evident in ice cores from 1889 which may reflect another possible factor in these rare events. We suggest that extreme Greenland summer melt episodes, such as those recorded recently and in the late Holocene, could have involved a similar combination of slow climate processes, including prolonged North American droughts/heat waves and North Atlantic warm oceanic temperature anomalies, together with fast processes, such as excursions of the Arctic Oscillation, and transport of warm, humid air in Atmospheric Rivers to Greenland. It is the fast processes that underlie the rarity of such events and influence their predictability.

54 ENVIRONMENTAL SCIENCES↗

Mount Logan ice core record of tropical and solar influences on Aleutian Low variability: 500-1998 A.D.

Continuous, high-resolution paleoclimate records from the North Pacific region spanning the past 1500 years are rare; and the behavior of the Aleutian Low (ALow) pressure center, the dominant climatological feature in the Gulf of Alaska, remains poorly constrained. Here we present a continuous, 1500 year long, calibrated proxy record for the strength of the wintertime (December–March) ALow from the Mount Logan summit (PR Col; 5200 m asl) ice core soluble sodium time series. We show that ice core sodium concentrations are statistically correlated with North Pacific sea level pressure and zonal wind speed. Our ALow proxy record reveals a weak ALow from circa 900–1300 A.D. and 1575–1675 A.D., and a comparatively stronger ALow from circa 500–900 A.D., 1300–1575 A.D., and 1675 A.D. to present. The Mount Logan ALow proxy record shows strong similarities with tropical paleoclimate proxy records sensitive to the El Niño–Southern Oscillation and is consistent with the hypothesis that the Medieval Climate Anomaly was characterized by more persistent La Niña-like conditions while the Little Ice Age was characterized by at least two intervals of more persistent El Niño-like conditions. The Mount Logan ALow proxy record is significantly (p <0.05) correlated and coherent with solar irradiance proxy records over various time scales, with stronger solar irradiance generally associated with a weaker ALow and La Niña-like tropical conditions. However, a step-like increase in ALow strength during the Dalton solar minimum circa 1820 is associated with enhanced Walker circulation. Furthermore, rising CO 2 forcing or internal variability may be masking the twentieth century rise in solar irradiance.

Meteorology & Atmospheric Sciences↗

Joint measurement of the atmospheric muon flux through the Puy de Dome volcano with plastic scintillators and Resistive Plate Chambers detectors

The muographic imaging of volcanoes relies on the measured transmittance of the atmospheric muon flux through the target. An important bias affecting the result comes from background contamination mimicking a higher transmittance. The MU-RAY and TOMUVOL collaborations measured independently in 2013 the atmospheric muon flux transmitted through the Puy de Dôme volcano using their early prototype detectors, based on plastic scintillators and on Glass Resistive Plate Chambers, respectively. These detectors had three (MU-RAY) or four (TOMUVOL) detection layers of 1 m 2 each, tens (MU-RAY) or hundreds (TOMUVOL) of nanosecond time resolution, a few millimeter position resolution, an energy threshold of few hundreds MeV, and no particle identification capabilities. The prototypes were deployed about 1.3 km away from the summit, where they measured, behind rock depths larger than 1000 m, remnant fluxes of 1.83±0.50(syst)±0.07(stat) m –2 d –1 deg –2 (MU-RAY) and 1.95±0.16(syst)±0.05(stat) m –2 d –1 deg –2 (TOMUVOL), that roughly correspond to the expected flux of high-energy atmospheric muons crossing 600 meters water equivalent (mwe) at 18° elevation. This implies that imaging depths larger than 500 mwe from 1 km away using such prototype detectors suffer from an overwhelming background. These measurements confirm that a new generation of detectors with higher momentum threshold, time-of-flight measurement, and/or particle identification is needed. As a result, the MU-RAY and TOMUVOL collaborations expect shortly to operate improved detectors, suitable for a robust muographic imaging of kilometer-scale volcanoes.

79 ASTRONOMY AND ASTROPHYSICS↗

Experiences in porting mini-applications to OpenACC and OpenMP on heterogeneous systems

This article studies mini-applications—Minisweep, GenASiS , GPP, and FF—that use computational methods commonly encountered in HPC. We have ported these applications to develop OpenACC and OpenMP versions, and evaluated their performance on Titan (Cray XK7 with K20x GPUs), Cori (Cray XC40 with Intel KNL), Summit (IBM AC922 with Volta GPUs), and Cori-GPU (Cray CS-Storm 500NX with Intel Skylake and Volta GPUs). Our goals are for these new ports to be useful to both application and compiler developers, to document and describe the lessons learned and the methodology to create optimized OpenMP and OpenACC versions, and to provide a description of possible migration paths between the two specifications. Cases where specific directives or code patterns result in improved performance for a given architecture are highlighted. Here, we also include discussions of the functionality and maturity of the latest compilers available on the above platforms with respect to OpenACC or OpenMP implementations.

97 MATHEMATICS AND COMPUTING↗

h5bench: A unified benchmark suite for evaluating HDF5 I/O performance on pre‐exascale platforms

Summary Parallel I/O is a critical technique for moving data between compute and storage subsystems of supercomputers. With massive amounts of data produced or consumed by compute nodes, high‐performant parallel I/O is essential. I/O benchmarks play an important role in this process; however, there is a scarcity of I/O benchmarks representative of current workloads on HPC systems. Toward creating representative I/O kernels from real‐world applications, we have created h5bench , a set of I/O kernels that exercise hierarchical data format version 5 (HDF5) I/O on parallel file systems in numerous dimensions. Our focus on HDF5 is due to the parallel I/O library's heavy usage in various scientific applications running on supercomputing systems. The various tests benchmarked in the h5bench suite include I/O operations (read and write), data locality (arrays of basic data types and arrays of structures), array dimensionality (one‐dimensional arrays, two‐dimensional meshes, three‐dimensional cubes), I/O modes (synchronous and asynchronous). In this paper, we present the observed performance of h5bench executed along several of these dimensions on existing supercomputers (Cori and Summit) and pre‐exascale platforms (Perlmutter, Theta, and Polaris). h5bench measurements can be used to identify performance bottlenecks and their root causes and evaluate I/O optimizations. As the I/O patterns of h5bench are diverse and capture the I/O behaviors of various HPC applications, this study will be helpful to the broader supercomputing and I/O community.

97 MATHEMATICS AND COMPUTING↗

ytopt: Autotuning Scientific Applications for Energy Efficiency at Large Scales

As we enter the exascale computing era, efficiently utilizing power and optimizing the performance of scientific applications under power and energy constraints has become critical and challenging. We propose a low-overhead autotuning framework to autotune performance and energy for various hybrid MPI/OpenMP scientific applications at large scales and to explore the tradeoffs between application runtime and power/energy for energy efficient application execution, then use this framework to autotune four ECP proxy applications—XSBench, AMG, SWFFT, and SW4lite. Our approach uses Bayesian optimization with a Random Forest surrogate model to effectively search parameter spaces with up to 6 million different configurations on two large-scale HPC production systems, Theta at Argonne National Laboratory and Summit at Oak Ridge National Laboratory. The experimental results show that our autotuning framework at large scales has low overhead and achieves good scalability. Using the proposed autotuning framework to identify the best configurations, we achieve up to 91.59% performance improvement, up to 21.2% energy savings, and up to 37.84% EDP (energy delay product) improvement on up to 4096 nodes.

Autotuning↗

Long‐term growth and persistence of granitic inselbergs in a semi‐arid cratonic landscape

Granitic inselbergs are enduring landforms that punctuate planation surfaces in tectonically stable settings, yet the mechanisms and timescales of their persistence remain debated. Here, in this study, we present a multinuclide cosmogenic dataset ( 10 Be, 26 Al and 21 Ne) from bedrock, fluvial sediments and planation surfaces in the semi-arid Central Ceará Domain, north-eastern Brazil, to quantify denudation rates and reconstruct the long-term dynamics of residual relief formation. This triple-nuclide approach enables independent validation of denudation contrasts and long-term exposure histories, providing quantitative constraints on inselberg evolution that a single-nuclide approach could not resolve. Bedrock denudation rates (1–4 m Myr −1 ) are systematically lower than basin-wide rates (8–14 m Myr −1 ), revealing a regional pattern of vertical differential denudation. When combined with summit elevations and surface exposure ages of up to 5 Myr, these contrasts suggest that cumulative relief growth has been operating over timescales of tens of millions of years (1–57 Myr). Morphological and structural observations further indicate localized mass wasting and heterogeneous erosion styles, modulated by rock fabric and joint density. Cosmogenic nuclide inventories in detrital sediments reveal partial reworking from older sediment stocks, including surface pebbles with exposure ages up to 5 Myr, which record multistage of burial and re-exposure histories and reflect episodic remobilization in low-connectivity, semi-arid catchments. Rather than static relicts of ancient surfaces, inselbergs in this cratonic setting emerge as dynamic landforms actively sustained by slow but persistent differential denudation. These results provide new constraints on long-term cratonic landscape evolution and underscore the interplay between lithological resistance, structural inheritance and sediment transfer processes in sustaining topographic relief. They also call for a critical reassessment of classical inselberg models, suggesting that hybrid mechanisms, rather than single-process paradigms, more accurately capture the complexity of residual landform development in cratonic interiors.

Cosmogenic nuclides↗

Hacking Limnology Workshop and DSOS22: Creating a Community of Practice for the Nexus of Data Science, Open Science, and the Aquatic Sciences

The 2nd Aquatic Ecosystem Modeling-Junior (AEMON-J) Hacking Limnology Workshop and 3rd Virtual Summit: Incorporating Data Science and Open Science in the Aquatic Sciences (DSOS) took place on 25–29 July 2022. These virtual events were developed to bring together researchers from diverse backgrounds to share developments in data-intensive research in the aquatic sciences and train participants in cutting-edge data analysis methods related to remote sensing, data pipelines, and modeling of aquatic ecosystems.

54 ENVIRONMENTAL SCIENCES↗