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At least 1,405 records · Page 78

ATLAS BigPanDA monitoring

BigPanDA monitoring is a web application that provides various processing and representation of the Production and Distributed Analysis (PanDA) system objects states. Analysing hundreds of millions of computation entities, such as an event or a job, BigPanDA monitoring builds different scales and levels of abstraction reports in real time mode. Provided information allows users to drill down into the reason of a concrete event failure or observe the broad picture such as tracking the computation nucleus and satellites performance or the progress of a whole production campaign. PanDA system was originally developed for the ATLAS experiment. Currently, it manages execution of more than 2 million jobs distributed over 170 computing centers worldwide on daily basis. BigPanDA is its core component commissioned in the middle of 2014 and now is the primary source of information for ATLAS users about the state of their computations and the source of decision support information for shifters, operators and managers. In this work, we describe the evolution of the architecture, current status and plans for the development of the BigPanDA monitoring.

47 OTHER INSTRUMENTATION↗

Fission Product Evaluation (Quarterly Report)

The LLNL team has developed a theoretical framework to compute the fission fragment charge and mass distributions of odd-mass nuclei, which can be formed in neutron-induced reactions on even-even nuclei. For example, n+ 238 U leads to the compound nucleus 239 U which has 147 neutrons. Odd-mass and odd-odd nuclei are spin-polarized: the spin of the nucleus is not equal to 0 as in even-even nuclei (a consequence of pairing correlations) but is in fact set by a single particle. In practice, that single particle can occupy different quantum-mechanical configurations, each with different spin. This affects the deformation properties of the nucleus and, as a result, the distribution of fission fragments. These distributions require two inputs for the calculation: a potential energy surface (= the total energy of the nucleus as a function of the deformation of the nuclear shape, often parametrized with 2 degrees of freedom) and the collective inertia tensor associated with each point of the PES. In an odd-mass or odd-odd nucleus, each quantity depends on the configuration of the single particle. We computed of the order of 20 to 30 different such configurations to extract the PES for spins K=1/2, 3/2, 5/2, 7/2, and 9/2 of 239 U. We then computed the primary yields for each such PES, as shown in Fig. 1 below. These yields were weighed with the spin distribution associated with the reaction 238 U+n and the resulting distribution used as input to FREYA to compute the independent yields shown in Fig. 2. These yields are then used as inputs to the FIER code to extract the cumulative yields and compare with LLNL-LANL measurements at TUNL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Conservative velocity mappings for discontinuous Galerkin kinetics

Continuum computational kinetic plasma models evolve the distribution function of a plasma species f s on a phase-space grid over time. In many problems of interest the distribution function has limited extent in velocity space; hence, using a uniform, highly refined mesh would be costly and slow. Nonuniform velocity grids can reduce the computational cost by placing more degrees of freedom where f s is appreciable and fewer where it is not. In this work we introduce a first-of-its kind discontinuous Galerkin approach to nonuniform velocity-space discretization using mapped velocity coordinates. This new method is presented in the context of a gyrokinetic model used to study magnetized plasmas. We create discretizations of collisionless and collisional terms using mappings in a way that exactly conserves particles and energy. Numerical tests of such properties are presented, and we show that this new discretization can reproduce earlier gyrokinetic simulations using grids with up to 6–60 times fewer cells and 22X-60X speed-ups depending on dimensionality, geometry and plasma parameters.

Discontinuous Galerkin↗

State Machine Operation of Complex Systems

SQMS, affiliated with Fermilab, is one of five research centers funded by the DOE dedicated to the development and deployment of advanced quantum computers and sensors. The objective of our research was to devise an experimental design for quantum transduction, with the aim of facilitating the development of a distributed quantum network to connect quantum computers over large distances.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Internship Presentation

SQMS, affiliated with Fermilab, is one of five research centers funded by the DOE dedicated to the development and deployment of advanced quantum computers and sensors. The objective of our research was to devise an experimental design for quantum transduction, with the aim of facilitating the development of a distributed quantum network to connect quantum computers over large distances.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Statistical theory of deformation distributions in nuclear spectra

The dependence of the nuclear level density on intrinsic deformation is an important input to dynamical nuclear processes such as fission. The auxiliary-field Monte Carlo (AFMC) method is a powerful method for computing state densities. However, the statistical distribution of intrinsic shapes is not readily accessible due to the formulation of the AFMC method in a spherical configuration-interaction shell-model approach. Instead, the theory of deformation has largely relied on a mean-field approximation which breaks rotational symmetry. We show here how the distributions of the intrinsic quadrupole deformation parameters can be calculated within the AFMC method and present results for a chain of even-mass samarium nuclei ( 148 Sm, 150 Sm, 152 Sm, 154 Sm) which includes spherical, transitional, and strongly deformed isotopes. The method relies on a Landau-like expansion of the Helmholtz free energy in invariant polynomials of the quadrupole tensor. Here we find that an expansion to fourth order provides an excellent description of the AFMC results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Core Cosmology Library: Precision Cosmological Predictions for LSST

The Core Cosmology Library (CCL) provides routines to compute basic cosmological observables to a high degree of accuracy, which have been verified with an extensive suite of validation tests. Predictions are provided for many cosmological quantities, including distances, angular power spectra, correlation functions, halo bias and the halo mass function through state-of-the-art modeling prescriptions available in the literature. Fiducial specifications for the expected galaxy distributions for the Large Synoptic Survey Telescope (LSST) are also included, together with the capability of computing redshift distributions for a user-defined photometric redshift model. A rigorous validation procedure, based on comparisons between CCL and independent software packages, allows us to establish a well-defined numerical accuracy for each predicted quantity. As a result, predictions for correlation functions of galaxy clustering, galaxy-galaxy lensing and cosmic shear are demonstrated to be within a fraction of the expected statistical uncertainty of the observables for the models and in the range of scales of interest to LSST. CCL is an open source software package written in C, with a python interface and publicly available at this https URL: https://github.com/LSSTDESC/CCL

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Developing and Distributing HEP Software Stacks with Spack

The Computational Science and AI Directorate at Fermilab is using Spack to support the development efforts of a large number of scientific programmers, in many independent projects and experiments. While independent, these projects share many dependencies. They are typically under continuous and fairly rapid development. They have to support deployment on diverse hardware. This is a different context than is typical for the management of HPC software, where Spack was born. To support our community, we have created a model that enables users to develop code with greater efficiency than is possible with Spack’s current development facilities. In this talk we will present: - a brief introduction to the science we support (particle physics) - how the code we work with is naturally organized into several layers of packages - how we are using Spack to manage those layers - how we leverage the layering to provide efficient support for developers, using our Spack extension “MPD”. - some suggestions for changes or additions to Spack to make such work easier.

Knoepfel, Kyle J. [Fermilab]↗

A matrix-algebraic formulation of distributed-memory maximal cardinality matching algorithms in bipartite graphs

We describe parallel algorithms for computing maximal cardinality matching in a bipartite graph on distributed-memory systems. Unlike traditional algorithms that match one vertex at a time, our algorithms process many unmatched vertices simultaneously using a matrix-algebraic formulation of maximal matching. This generic matrix-algebraic framework is used to develop three efficient maximal matching algorithms with minimal changes. The newly developed algorithms have two benefits over existing graph-based algorithms. First, unlike existing parallel algorithms, cardinality of matching obtained by the new algorithms stays constant with increasing processor counts, which is important for predictable and reproducible performance. Second, relying on bulk-synchronous matrix operations, these algorithms expose a higher degree of parallelism on distributed-memory platforms than existing graph-based algorithms. We report high-performance implementations of three maximal matching algorithms using hybrid OpenMP-MPI and evaluate the performance of these algorithm using more than 35 real and randomly generated graphs. On real instances, our algorithms achieve up to 200 × speedup on 2048 cores of a Cray XC30 supercomputer. Even higher speedups are obtained on larger synthetically generated graphs where our algorithms show good scaling on up to 16,384 cores.

97 MATHEMATICS AND COMPUTING↗

GPS Spoofing Mitigation and Timing Risk Analysis in Networked Phasor Measurement Units via Stochastic Reachability

To address phasor measurement unit (PMU) vulnerability to spoofing, we propose the use of a set-valued state estimation technique known as stochastic reachability (SR)-based distributed Kalman filter (DKF) that computes secure global positioning system (GPS) timing across a network of receivers. Utilizing SR, we estimate not only GPS time but also its stochastic reachable set, which is parameterized by probabilistic zonotope (p-Zonotope). While requiring known measurement error bounds in only non-spoofed conditions, we designed a two-tiered approach. We first performed measurement-level spoofing mitigation via deviation of a measurement innovation from its expected p-Zonotope. We then performed state-level timing risk analysis via a determination of the intersection probability of the estimated p-Zonotope with an unsafe set that violates IEEE C37.118.1a-2014 standards. Finally, we validated our SR-DKF algorithm by subjecting it to a simulated receiver network to coordinate signal-level spoofing. We demonstrate improved timing accuracy and successful spoofing mitigation via the use of our SR-DKF algorithm. We also validated the robustness of the estimated timing risk as the number of receivers were varied.

47 OTHER INSTRUMENTATION↗

Isolation and Connectivity in Random Geometric Graphs with Self-similar Intensity Measures

Random geometric graphs consist of randomly distributed nodes (points), with pairs of nodes within a given mutual distance linked. In the usual model the distribution of nodes is uniform on a square, and in the limit of infinitely many nodes and shrinking linking range, the number of isolated nodes is Poisson distributed, and the probability of no isolated nodes is equal to the probability the whole graph is connected. Here we examine these properties for several self-similar node distributions, including smooth and fractal, uniform and nonuniform, and finitely ramified or otherwise. We show that nonuniformity can break the Poisson distribution property, but it strengthens the link between isolation and connectivity. It also stretches out the connectivity transition. Finite ramification is another mechanism for lack of connectivity. The same considerations apply to fractal distributions as smooth, with some technical differences in evaluation of the integrals and analytical arguments.

97 MATHEMATICS AND COMPUTING↗

Core-halo age gradients and star formation in the Orion Nebula and NGS 2024 young stellar clusters

We analyze age distributions of two nearby rich stellar clusters, the NGC 2024 (Flame Nebula) and Orion Nebula cluster (ONC) in the Orion molecular cloud complex. Our analysis is based on samples from the MYStIX survey and a new estimator of pre-main sequence (PMS) stellar ages, Age{sub JX} , derived from X-ray and near-infrared photometric data. To overcome the problem of uncertain individual ages and large spreads of age distributions for entire clusters, we compute median ages and their confidence intervals of stellar samples within annular subregions of the clusters. We find core-halo age gradients in both the NGC 2024 cluster and ONC: PMS stars in cluster cores appear younger and thus were formed later than PMS stars in cluster peripheries. These findings are further supported by the spatial gradients in the disk fraction and K-band excess frequency. Our age analysis is based on Age{sub JX} estimates for PMS stars and is independent of any consideration of OB stars. The result has important implications for the formation of young stellar clusters. One basic implication is that clusters form slowly and the apparent age spreads in young stellar clusters, which are often controversial, are (at least in part) real. The result further implies that simple models where clusters form inside-out are incorrect and more complex models are needed. We provide several star formation scenarios that alone or in combination may lead to the observed core-halo age gradients.

79 ASTRONOMY AND ASTROPHYSICS↗

Pelvic Normal Tissue Contouring Guidelines for Radiation Therapy: A Radiation Therapy Oncology Group Consensus Panel Atlas

Purpose: To define a male and female pelvic normal tissue contouring atlas for Radiation Therapy Oncology Group (RTOG) trials. Methods and Materials: One male pelvis computed tomography (CT) data set and one female pelvis CT data set were shared via the Image-Guided Therapy QA Center. A total of 16 radiation oncologists participated. The following organs at risk were contoured in both CT sets: anus, anorectum, rectum (gastrointestinal and genitourinary definitions), bowel NOS (not otherwise specified), small bowel, large bowel, and proximal femurs. The following were contoured in the male set only: bladder, prostate, seminal vesicles, and penile bulb. The following were contoured in the female set only: uterus, cervix, and ovaries. A computer program used the binomial distribution to generate 95% group consensus contours. These contours and definitions were then reviewed by the group and modified. Results: The panel achieved consensus definitions for pelvic normal tissue contouring in RTOG trials with these standardized names: Rectum, AnoRectum, SmallBowel, Colon, BowelBag, Bladder, UteroCervix, Adnexa{sub R}, Adnexa{sub L}, Prostate, SeminalVesc, PenileBulb, Femur{sub R}, and Femur{sub L}. Two additional normal structures whose purpose is to serve as targets in anal and rectal cancer were defined: AnoRectumSig and Mesorectum. Detailed target volume contouring guidelines and images are discussed. Conclusions: Consensus guidelines for pelvic normal tissue contouring were reached and are available as a CT image atlas on the RTOG Web site. This will allow uniformity in defining normal tissues for clinical trials delivering pelvic radiation and will facilitate future normal tissue complication research.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Investigating the ecological fallacy through sampling distributions constructed from finite populations

Correlation coefficients and linear regression values computed from group averages can differ from correlation coefficients and linear regression values computed using individual scores. This observation known as the ecological fallacy often assumes that all the individual scores are available from a population. In many situations, one must use a sample from the larger population. In such cases, the computed correlation coefficient and linear regression values will depend on the sample that is chosen and the underlying sampling distribution. The sampling distribution of correlation coefficients and linear regression values for group averages will be identical to the sampling distribution for individuals for normally distributed variables for random samples drawn from infinitely large continuous distributions. However, data that is acquired in practice is often acquired when sampling without replacement from a finite population. Our objective is to demonstrate through Monte Carlo simulations that the sampling distributions for correlation and linear regression will also be similar for individuals and group averages when sampling without replacement from normally distributed variables. These simulations suggest that when a random sample from a population is selected, the correlation coefficients and linear regression values computed from individual scores will not be more accurate in estimating the entire population values compared to samples when group averages are used as long as the sample size is the same.

97 MATHEMATICS AND COMPUTING↗

Extension of PENELOPE to protons: Simulation of nuclear reactions and benchmark with Geant4

Purpose: Describing the implementation of nuclear reactions in the extension of the Monte Carlo code (MC) PENELOPE to protons (PENH) and benchmarking with Geant4.Methods: PENH is based on mixed-simulation mechanics for both elastic and inelastic electromagnetic collisions (EM). The adopted differential cross sections for EM elastic collisions are calculated using the eikonal approximation with the Dirac–Hartree–Fock–Slater atomic potential. Cross sections for EM inelastic collisions are computed within the relativistic Born approximation, using the Sternheimer–Liljequist model of the generalized oscillator strength. Nuclear elastic and inelastic collisions were simulated using explicitly the scattering analysis interactive dialin database for {sup 1}H and ICRU 63 data for {sup 12}C, {sup 14}N, {sup 16}O, {sup 31}P, and {sup 40}Ca. Secondary protons, alphas, and deuterons were all simulated as protons, with the energy adapted to ensure consistent range. Prompt gamma emission can also be simulated upon user request. Simulations were performed in a water phantom with nuclear interactions switched off or on and integral depth–dose distributions were compared. Binary-cascade and precompound models were used for Geant4. Initial energies of 100 and 250 MeV were considered. For cases with no nuclear interactions simulated, additional simulations in a water phantom with tight resolution (1 mm in all directions) were performed with FLUKA. Finally, integral depth–dose distributions for a 250 MeV energy were computed with Geant4 and PENH in a homogeneous phantom with, first, ICRU striated muscle and, second, ICRU compact bone.Results: For simulations with EM collisions only, integral depth–dose distributions were within 1%/1 mm for doses higher than 10% of the Bragg-peak dose. For central-axis depth–dose and lateral profiles in a phantom with tight resolution, there are significant deviations between Geant4 and PENH (up to 60%/1 cm for depth–dose distributions). The agreement is much better with FLUKA, with deviations within 3%/3 mm. When nuclear interactions were turned on, agreement (within 6% before the Bragg-peak) between PENH and Geant4 was consistent with uncertainties on nuclear models and cross sections, whatever the material simulated (water, muscle, or bone).Conclusions: A detailed and flexible description of nuclear reactions has been implemented in the PENH extension of PENELOPE to protons, which utilizes a mixed-simulation scheme for both elastic and inelastic EM collisions, analogous to the well-established algorithm for electrons/positrons. PENH is compatible with all current main programs that use PENELOPE as the MC engine. The nuclear model of PENH is realistic enough to give dose distributions in fair agreement with those computed by Geant4.

61 RADIATION PROTECTION AND DOSIMETRY↗

Virtual Power Plants: Pilots, Challenges, and Innovations Shaping Future Development

Virtual Power Plants (VPPs) aggregate distributed energy resources (DERs) to provide grid services traditionally delivered by centralized power plants. This article reviews the current state of VPP deployment, highlighting business models, compensation mechanisms, and global pilot projects. While VPPs offer benefits such as grid flexibility, resilience, and cost savings, challenges remain in communication infrastructure, regulatory frameworks, market access, and customer engagement. To address these, we propose a scalable, privacy-preserving hierarchical VPP architecture that coordinates with distribution utilities and preserves customer data. We also present the Integrated T&D Control Room of the Future as a key test bed for validating and accelerating VPP adoption. These innovations can help transition VPPs from pilot programs to integral components of a modern, reliable power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The Magellan Final Report on Cloud Computing

The goal of Magellan, a project funded through the U.S. Department of Energy (DOE) Office of Advanced Scientific Computing Research (ASCR), was to investigate the potential role of cloud computing in addressing the computing needs for the DOE Office of Science (SC), particularly related to serving the needs of mid- range computing and future data-intensive computing workloads. A set of research questions was formed to probe various aspects of cloud computing from performance, usability, and cost. To address these questions, a distributed testbed infrastructure was deployed at the Argonne Leadership Computing Facility (ALCF) and the National Energy Research Scientific Computing Center (NERSC). The testbed was designed to be flexible and capable enough to explore a variety of computing models and hardware design points in order to understand the impact for various scientific applications. During the project, the testbed also served as a valuable resource to application scientists. Applications from a diverse set of projects such as MG-RAST (a metagenomics analysis server), the Joint Genome Institute, the STAR experiment at the Relativistic Heavy Ion Collider, and the Laser Interferometer Gravitational Wave Observatory (LIGO), were used by the Magellan project for benchmarking within the cloud, but the project teams were also able to accomplish important production science utilizing the Magellan cloud resources.

97 MATHEMATICS AND COMPUTING↗

System for authenticating an additively manufactured object

A method for authenticating an additively manufactured (AM) object is disclosed herein. A computing device obtains a measurement that is indicative of a stochastic distribution of dopant incorporated into the AM object. The computing device generates authentication data for the AM object based upon the measurement, and authenticates the AM object based upon the authentication data.

36 MATERIALS SCIENCE↗