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DOE OSTI2019

PHISICS User Manual

PHISICS (Parallel and Highly Innovative Simulation for INL Code System) is a reactor physics package developed at the Idaho National Laboratory. It is composed of several modules: a nodal and semi-structured transport core solver (INSTANT), a depletion module (MRTAU), a time-dependent solver (TimeIntegrator), a cross-section interpolation and manipulation framework (MIXER), a SuperHomogenization scheme (SPH) a criticality search module (CRITICALITY), a fuel management and shuffling component (SHUFFLE) and a coupling API with RELAP5-3D. PHISICS has been built in a highly modular fashion so that different physical models can be activated or deactivated depending on the physics relevant to the particular type of analysis. This approach simplifies development as well as mid- and long-term maintenance of the code. PHISICS is entirely written in FORTRAN 95/2003. Each of its components is fully parallelized and designed to take full advantage of shared-memory computers (multiprocessor desktops and workstations) and middle to large high-performance computing systems (10 to 1000 processors). The aim of this document is to detail the input requirements for PHISICS (and all its modules) focusing on the input structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Joint speaker authentication and key phrase identification

A spoken command analyzer computing system includes technologies configured to analyze information extracted from a speech sample and, using a joint speaker and phonetic content model, both determine whether the analyzed speech includes certain content (e.g., a command) and to identify the identity of the human speaker of the speech. In response to determining that the identity matches the authorized user's identity and determining that the analyzed speech includes the modeled content (e.g., command), an action corresponding to the verified content (e.g., command) is performed by an associated device.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

RACB: Resource Aware Cache Bypass on GPUs

Caches are universally used in computing systems to hide long off-chip memory access latencies. Unlike CPUs, massive threads running simultaneously on GPUs bring a tremendous pressure on memory hierarchy. As a result, the limitation of cache resources becomes a bottleneck for a GPU to exploit thread-level parallelism (TLP) and memory-level parallelism (MLP) and achieve high performance. In this paper, we propose a mechanism to bypass L1D and L2 cache based on the availability of cache resources. Our proposed mechanism is based on the observation that a huge number of stalls coming from limited cache resources prohibit GPUs from providing a higher throughput. So we propose Resource Aware Cache Bypass (RACB) with minor hardware changes to eliminate such stalls to improve performance. We examine the effectiveness of this approach when applied to L1D and L2 cache separately as well as together. Evaluation results with NVIDIA Computing SDK show that RACB generally improves performance the most when applied to both L1D and L2 cache, which is up to 88.05% and on an average of 16.73%, additionally, energy is saved up to 22.35% and on an average of 5.88% with minor hardware overheads.

Dai, Hongwen↗

DOE OSTI2025

User Guide for Sample Reduction at GP-SANS

This manual is intended as a quick guide for data reduction of GP-SANS data. It includes all necessary steps to do the data reduction based on absolute calibration using the open beam method and how to transfer the reduced data to the personal computer system. If any errors are coming up so that the reduction script is not functioning as intended, please contact the instrument scientist.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Data Structure Alchemy

In an increasingly more data-driven world, the project set out to uncover the first principles of data-structure design, chart the immense design space they form, and build automation that can synthesize an optimal structure, or even a whole storage engine, for any given workload, hardware platform, and cost target. Data structures are at the center of every computational system and are directly responsible for its performance. Two core technical thrusts were defined: 1) Mapping design spaces for key data-centric abstractions (filters, hash functions, storage-engine layouts, neural-network topologies, blockchain protocols, image layouts, etc.). 2) Developing search & synthesis algorithms, initially analytical cost models, later neural-guided bi-level optimisers that navigate sextillions of candidate designs in seconds and materialise the best one as ready‐to-run code. This report distills the key insights, accomplishments, and impact.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

The development of GPU-based parallel PRNG for Monte Carlo applications in CUDA Fortran

The implementation of Monte Carlo simulation on the CUDA Fortran requires a fast random number generation with good statistical properties on GPU. In this study, a GPU-based parallel pseudo random number generator (GPPRNG) have been proposed to use in high performance computing systems. According to the type of GPU memory usage, GPU scheme is divided into two work modes including GLOBAL-MODE and SHARED-MODE. To generate parallel random numbers based on the independent sequence method, the combination of middle-square method and chaotic map along with the Xorshift PRNG have been employed. Implementation of our developed PPRNG on a single GPU showed a speedup of 150x and 470x (with respect to the speed of PRNG on a single CPU core) for GLOBAL-MODE and SHARED-MODE, respectively. To evaluate the accuracy of our developed GPPRNG, its performance was compared to that of some other commercially available PPRNGs such as MATLAB, FORTRAN and Miller-Park algorithm through employing the specific standard tests. The results of this comparison showed that the developed GPPRNG in this study can be used as a fast and accurate tool for computational science applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Multi-Line Superconducting Waveguides Based on YBCO-on-Kapton Technology

Coplanar (with the ground) and stripline 25 cm long waveguides are manufactured from the YBCO-Kapton material. The waveguides are intended as the key components of a scalable signal delivery for large quantum computing systems and detectors. The waveguide is coupled with an integrated power divider that replaces the standard attenuator. The divider is designed to return most of the power to the previous thermalization stage. The method is projected to reduce the active dissipation by ≈10. We investigate the effect of internal strain in YBCO layer on the device's mechanical stability. Here, we show that adhesives with high stiffness are essential for the reliability of YBCO-Kapton devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2013

Phase II Nevada Water Resources Data, Modeling, and Visualization (DMV) Center (Final Report)

Water is unquestionably a critical resource throughout the United States. In the semi-arid west -- an area stressed by increase in human population and sprawl of the built environment -- water is the most important limiting resource. Crucially, science must understand factors that affect availability and distribution of water. To sustain growing consumptive demand, science needs to translate understanding into reliable and robust predictions of availability under weather conditions that could be average but might be extreme. These predictions are needed to support current and long-term planning. Similar to the role of weather forecast and climate prediction, water prediction over short and long temporal scales can contribute to resource strategy, governmental policy and municipal infrastructure decisions, which are arguably tied to the natural variability and unnatural change to climate. Change in seasonal and annual temperature, precipitation, snowmelt, and runoff affect the distribution of water over large temporal and spatial scales, which impact the risk of flooding and the groundwater recharge. Anthropogenic influences and impacts increase the complexity and urgency of the challenge. The goal of this project has been to develop a decision support framework of data acquisition, digital modeling, and 3D visualization. This integrated framework consists of tools for compiling, discovering and projecting our understanding of processes that control the availability and distribution of water. The framework is intended to support the analysis of the complex interactions between processes that affect water supply, from controlled availability to either scarcity or deluge. The developed framework enables DRI to promote excellence in water resource management, particularly within the Lake Tahoe basin. In principle, this framework could be replicated for other watersheds throughout the United States. Phase II of this project builds upon the research conducted during Phase I, in which the hydrologic framework was investigated and the development initiated. Phase II concentrates on practical implementation of the earlier work but emphasizes applications to the hydrology of the Lake Tahoe basin. Phase 1 efforts have been refined and extended by creating a toolset for geographic information systems (GIS) that is usable for disparate types of geospatial and geo-referenced data. The toolset is intended to serve multiple users for a variety of applications. The web portal for internet access to hydrologic and remotely sensed product data, prototyped in Phase I, has been significantly enhanced. The portal provides high performance access to LANDSAT-derived data using techniques developed during the course of the project. The portal is interactive, and supports the geo-referenced display of hydrologic information derived from remotely sensed data, such as various vegetative indices used to calculate water consumption. The platform can serve both internal and external constituencies using inter-operating infrastructure that spans both sides of the DRI firewall. The platform is intended grow its supported data assets and to serve as a template for replication to other geographic areas. An unanticipated development during the project was the use of ArcGIS software on a new computer system, called the IBM PureSytems, and the parallel use of the systems for faster, more efficient image processing. Additional data, independent of the portal, was collected within the Sagehen basin and provides detailed information regarding the processes that control hydrologic responses within mountain watersheds. The newly collected data include elevation, evapotranspiration, energy balance and remotely sensed snow-pack data. A Lake Tahoe basin hydrologic model has been developed, in part to help predict the hydrologic impacts of climate change. The model couples both the surface and subsurface hydrology, with the two components having been independently calibrated. Results from the coupled simulations involving both surface water and groundwater processes show that it is possible to fairly accurately simulate lake effects and water budget variables over a wide range of dry and wet cycles in the historical record. The Lake Tahoe basin is representative of the hydrology, topography and climate throughout the Sierra Nevada Range, and the entire model development is prototypical of the efforts required to replicate the decision support framework to other locales. The Lake Tahoe model in particular, could allow water managers to evaluate more accurately components of the water budget (ET, runoff, groundwater, etc) and to answer important questions regarding water resources in northern Nevada. This report discusses the geographic scale and the hydrologic complexity of the calibrated model developed as part of this project, as well as simulation results for historical and future climate projects To enable human-driven data exploration and discovery, de novo software for a globalized rendering module that extends the capability of our evolving custom visualization engine from Phase I (called SMEngine) has been developed. The new rendering component, called Horizon, supports terrain rendering capable of displaying and interrogating both remotely sensed and modeled data. The development of Horizon necessitated adaptation of the visualization engine to allow extensible integration of components such as the global rendering module and support for associated features. The resulting software is general in its GIS capability, but a specific Lake Tahoe visualization application suitable for immersive decision support in the DRIVE6 virtual reality facility has been developed. During the development, various features to enhance the value of the visualization experience were explored, including the use of hyperspectral image overlays. An over-arching goal of the visualization aspect of the project has been to develop and demonstrate the CAVE (CAVE Automatic Virtual Environment) as a practical tool for hydrologic research.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

The Portals 4.2 Network Programming Interface

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.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

The Portals 4.0.2 Networking Programming Interface

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

List based prefetch

A list prefetch engine improves a performance of a parallel computing system. The list prefetch engine receives a current cache miss address. The list prefetch engine evaluates whether the current cache miss address is valid. If the current cache miss address is valid, the list prefetch engine compares the current cache miss address and a list address. A list address represents an address in a list. A list describes an arbitrary sequence of prior cache miss addresses. The prefetch engine prefetches data according to the list, if there is a match between the current cache miss address and the list address.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

The Portals 4.3 Network Programming Interface

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

ASA-FTL: An adaptive separation aware flash translation layer for solid state drives

Here, the flash-memory based Solid State Drive (SSD) presents a promising storage solution for increasingly critical data-intensive applications due to its low latency (high throughput), high bandwidth, and low power consumption. Within an SSD, its Flash Translation Layer (FTL) is responsible for exposing the SSD’s flash memory storage to the computer system as a simple block device. The FTL design is one of the dominant factors determining an SSD’s lifespan and performance. To reduce the garbage collection overhead and deliver better performance, we propose a new, low-cost, adaptive separation-aware flash translation layer (ASA-FTL) that combines sampling, data clustering and selective caching of recency information to accurately identify and separate hot/cold data while incurring minimal overhead. We use sampling for light-weight identification of separation criteria, and our dedicated selective caching mechanism is designed to save the limited RAM resource in contemporary SSDs. Using simulations of ASA-FTL with both real-world and synthetic workloads, we have shown that our proposed approach reduces the garbage collection overhead by up to 28% and the overall response time by 15% compared to one of the most advanced existing FTLs. We find that the data clustering using a small sample size provides significant performance benefit while only incurring a very small computation and memory cost. In addition, our evaluation shows that ASA-FTL is able to adapt to the changes in the access pattern of workloads, which is a major advantage comparing to existing fixed data separation methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Validation of a method for in vivo 3D dose reconstruction for IMRT and VMAT treatments using on-treatment EPID images and a model-based forward-calculation algorithm

Purpose: Radiation treatments are trending toward delivering higher doses per fraction under stereotactic radiosurgery and hypofractionated treatment regimens. There is a need for accurate 3D in vivo patient dose verification using electronic portal imaging device (EPID) measurements. This work presents a model-based technique to compute full three-dimensional patient dose reconstructed from on-treatment EPID portal images (i.e., transmission images). Methods: EPID dose is converted to incident fluence entering the patient using a series of steps which include converting measured EPID dose to fluence at the detector plane and then back-projecting the primary source component of the EPID fluence upstream of the patient. Incident fluence is then recombined with predicted extra-focal fluence and used to calculate 3D patient dose via a collapsed-cone convolution method. This method is implemented in an iterative manner, although in practice it provides accurate results in a single iteration. The robustness of the dose reconstruction technique is demonstrated with several simple slab phantom and nine anthropomorphic phantom cases. Prostate, head and neck, and lung treatments are all included as well as a range of delivery techniques including VMAT and dynamic intensity modulated radiation therapy (IMRT). Results: Results indicate that the patient dose reconstruction algorithm compares well with treatment planning system computed doses for controlled test situations. For simple phantom and square field tests, agreement was excellent with a 2%/2 mm 3D chi pass rate ≥98.9%. On anthropomorphic phantoms, the 2%/2 mm 3D chi pass rates ranged from 79.9% to 99.9% in the planning target volume (PTV) region and 96.5% to 100% in the low dose region (>20% of prescription, excluding PTV and skin build-up region). Conclusions: An algorithm to reconstruct delivered patient 3D doses from EPID exit dosimetry measurements was presented. The method was applied to phantom and patient data sets, as well as for dynamic IMRT and VMAT delivery techniques. Results indicate that the EPID dose reconstruction algorithm presented in this work is suitable for clinical implementation.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Release Notes for Whisper-1.1

Whisper is a statistical analysis package developed in 2014 to support nuclear criticality safety (NCS) validation [1-3]. It uses the sensitivity profile data for an application as computed by MCNP6 [4-6] along with covariance files [7,8] for the nuclear data to determine a baseline upper-subcritical-limit (USL) for the application. Whisper version 1.0 was first developed and used at LANL in 2014 [3]. During 2015-2016, Whisper was updated to version 1.1 [9] and is to be included with the upcoming release of MCNP6.2. This document describes the Whisper-1.1 package that will be included with the MCNP6.2 release during 2017. Specific details are provided on the computer systems supported, the software quality assurance (SQA) procedures, installation, and testing. This document does not address other important topics, such as the importance of sensitivity-uncertainty (SU) methods to NCS validation, the theory underlying SU methodology, tutorials on the usage of MCNP-Whisper, practical approaches to using SU methodology to support and extend traditional validation, etc. There are over 50 documents included with Whisper-1.1 and available in the MCNP Reference Collection on the MCNP website (mcnp.lanl.gov) that address all of those topics and more. In this document, however, a complete bibliography of relevant MCNP-Whisper references is provided.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

The Portals 4.1 Network Programming Interface

This report presents a specification for the Portals 4 networ k programming interface. Portals 4 is intended to allow scalable, high-performance network communication betwee n nodes of a parallel computing system. Portals 4 is well suited to massively parallel processing and embedded syste ms. Portals 4 represents an adaption of the data movement layer developed for massively parallel processing platfor ms, 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 tar geted to the next generation of machines employing advanced network interface architectures that support enh anced offload capabilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Scalable data management, analysis and visualization (SDAV) Institute. Final Scientific/Technical Report

The purpose of the SDAV institute is to provide tools and expertise in scientific data management, analysis, and visualization to DOE’s application scientists. Our goal is to actively work with application teams to assist them in achieving breakthrough science, and to provide technical solutions in the data management, analysis, and visualization regimes that are broadly used by the computational science community. Over the last 5 years members of our institute worked directly with application scientists and DOE leadership-class facilities to assist them by applying the best tools and technologies at our disposal. We also enhanced our tools based on input from scientists on their needs. Many of the applications we have been working with are based on connections with scientists established in previous years. However, we contacted additional scientists though our outreach activities, as well as engaging application teams running on leading DOE computing systems. Our approach is to employ an evolutionary development and deployment process: first considering the application of existing tools, followed by the customization necessary for each particular application, and then the deployment in real frameworks and infrastructures. The institute is organized into three areas, each with area leaders, who keep track of progress, engagement of application scientists, and results. The areas are: (1) Data Management, (2) Data Analysis, and (3) Visualization. Kitware has been involved in the Visualization area. This report covers Kitware’s contributions over the last 5 years (February 2012 – February 2017). For details on the work performed by the SDAV institute as a whole, please see the SDAV final report.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

High-bandwidth density silicon photonic resonators for energy-efficient optical interconnects

The growth of artificial intelligence applications demands ever larger and more complex deep learning models, dominating today's—and tomorrow's—data center and high-performance computing systems. While traditional electronics are failing to keep pace with application demands, silicon photonic (SiPh) interconnects have emerged as a necessary technology to support these systems. SiPh-driven wavelength-division multiplexing (WDM) offers a particularly promising path toward supporting incredibly high-aggregate link bandwidth in a compact and efficient form factor. One of the basic building blocks of these integrated WDM interconnects is the SiPh resonator. Their inherent wavelength selectivity and compact footprint allow for efficient data transmission multiplexed across dozens of carrier wavelengths. Used as add-drop (AD) filters, SiPh resonators are critical to constructing integrated tunable wavelength-selective optical circuit switches as well as for demultiplexing the different carrier wavelengths toward independent wavelength-insensitive photodiodes in a dense wavelength-division multiplexing receiver. Resonators in the all-pass (AP) configuration are widespread as well, allowing for wavelength-selective modulation to drive aggregate link bandwidths far beyond the individual channel data rate. Unlike SiPh Mach–Zehnder modulators (MZM), resonant modulators can be driven using low, complementary metal-oxide-semiconductor drive voltages, allowing for tight co-integration between photonic integrated circuits, fabricated with larger process node technologies, and electronic integrated circuits, designed to exploit the advantages of the latest node. To push toward practical peta-scale interconnects, a comprehensive review of SiPh resonators is required, addressing bottlenecks and design constraints at both the architecture and device levels. We first describe the predominant integrated link architectures and identify their limits. We then discuss the device-level design considerations that can be made for both AD and AP configuration resonators to overcome the system level limits with novel resonator device designs. Analytical models and numerical simulation of resonators are validated by experimental measurement of devices fabricated in a commercial 300-mm foundry, showing a clear path toward volume manufacturing. The demonstrated resonant modulators and filters support the feasibility of increasing the aggregate bandwidth of resonator-driven SiPh interconnects into the peta-scale regime.

42 ENGINEERING↗