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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Resilience Design Patterns: A Structured Approach to Resilience at Extreme Scale (V.2.0)

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest the prevalence of very high fault rates in future systems. The errors resulting from these faults will propagate and generate various kinds of failures, which may result in outcomes ranging from result corruptions to catastrophic application crashes. Therefore, the resilience challenge for extreme-scale HPC systems requires coordination between various hardware and software technologies that are capable of handling a broad set of fault models at accelerated fault rates. Also, due to practical limits on power consumption in future HPC systems, they are likely to embrace innovative architectures, increasing the levels of hardware and software complexities. Therefore, the techniques that seek to improve resilience must navigate the complex trade-off space between resilience and the overheads to power consumption and performance. While the HPC community has developed various resilience solutions, application-level techniques as well as system-based solutions, the solution space of HPC resilience techniques remains fragmented. There are no formal methods to integrate the various HPC resilience techniques into composite solutions, nor are there methods to holistically evaluate the adequacy and efficacy of such solutions in terms of their protection coverage, and their performance & power efficiency characteristics. Additionally, few implementations of current resilience solutions are portable to newer architectures and software environments that will be deployed on future systems. We developed a new structured approach to the management of HPC resilience using the concept of resilience-based design patterns. In general, a design pattern is a repeatable solution to a commonly occurring problem. We identified the well-known solutions that are commonly used to deal with faults, errors and failures in HPC systems. In the initial design patterns specification (version 1.0), we described the various solutions, which address specific problems in the design of resilient HPC environments, in the form of patterns. Each pattern describes a problem caused by a fault, error or failure event in an HPC environment, and then describes the core of the solution of the problem in such a way that this solution may be adapted to different systems and implemented at different layers of the system stack. The catalog of these resilience design patterns provides designers with a collection of design elements. To construct complete resilience solutions using combinations of various patterns, we defined a framework that enhances HPC designers' understanding of the important constraints and the opportunities for the design patterns to be implemented and deployed at various layers of the system stack. The design framework is also useful for establishing interfaces and mechanisms to coordinate flexible fault management across hardware and software components, as well as to consider the trade-off between performance, resilience, and power consumption when constructing a solution. The resilience design patterns specification version 1.1 included more detailed explanations of the pattern solutions, the context in which the patterns are applicable, and the implications for hardware or software design. It also provided several additional examples and detailed case studies to demonstrate the use of patterns to build realistic solutions. In version 1.2 of the specification document, we have improved the pattern descriptions, including graphical representations of the pattern components. These improvements are largely based on critical comments, feedback and suggestions received from pattern experts and readers of the previous versions of the specification. The pattern classification has been modified to further clarify the relationships between pattern categories. This version of the specification also introduces a pattern language for resilience design patterns. The pattern language presents the patterns in the catalog as a network, revealing the relations among the resilience patterns. The language provides designers with the means to explore alternative techniques for handling a specific fault model that may have different efficiency and complexity characteristics. Using the pattern language also enables the design and implementation of comprehensive resilience solutions as a set of interconnected resilience patterns that can be instantiated across layers of the system stack. The overall goal of this work is to provide hardware and software designers, as well as the users and operators of HPC systems, a systematic methodology for the design and evaluation of resilience technologies in HPC systems that keep scientific applications running to a correct solution in a timely and cost-efficient manner despite frequent faults, errors, and failures of various types. Version 2.0 expands the resilience design pattern classification and catalog to include self-stabilization patterns and reliability, availability and performance models for each structural pattern.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Nanopolysaccharide Builder: A User-Friendly Tool for Atomistic Models of Polysaccharide-Based Nanostructures

Here, we introduce Nanopolysaccharide Builder (NPB), a user-friendly software tool designed to construct polysaccharide nanostructures─mainly those based on cellulose, chitin, and chitosan─using experimental data or user-defined parameters. NPB enables the generation of cellulose and chitin allomorphs with customizable biochemical topologies and also facilitates the construction of large bundles that replicate nanostructures found in biological support systems, including plant cell walls and arthropod cuticles. The software outputs atomic Cartesian coordinates in Protein Data Bank (PDB) format and also provides atom connectivity files in PSF and PARM formats, ensuring seamless integration with major molecular dynamics (MD) engines such as NAMD, CHARMM, GROMACS, AMBER, OpenMM, and LAMMPS. Built on an interactive visualization framework, NPB features a graphical user interface (GUI) and supports both macOS and Linux operating systems. By enabling detailed atomic-scale studies of polysaccharide evolution in extracellular matrices and cell walls of algae, bacteria, fungi, and plants, NPB is poised to advance AI-guided research in sustainable chemical development and biomass utilization.

Wan, Zhangmin [Univ. of British Columbia, Vancouve↗
DOE OSTI2015

Optimizing CMS build infrastructure via Apache Mesos

The Offline Software of the CMS Experiment at the Large Hadron Collider (LHC) at CERN consists of 6M lines of in-house code, developed over a decade by nearly 1000 physicists, as well as a comparable amount of general use open-source code. A critical ingredient to the success of the construction and early operation of the WLCG was the convergence, around the year 2000, on the use of a homogeneous environment of commodity x86-64 processors and Linux.Apache Mesos is a cluster manager that provides efficient resource isolation and sharing across distributed applications, or frameworks. It can run Hadoop, Jenkins, Spark, Aurora, and other applications on a dynamically shared pool of nodes. Lastly, we present how we migrated our continuous integration system to schedule jobs on a relatively small Apache Mesos enabled cluster and how this resulted in better resource usage, higher peak performance and lower latency thanks to the dynamic scheduling capabilities of Mesos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Optimal Efficiency and Operational Cost Savings: A Framework for Automated Rooftop PV Placement

Residential energy consumers are charged based on a utility rate structure, such as net metering or feed-in tariff. To lower consumers' electricity bills, expensive batteries are deployed to reduce the electricity fed from the grid during peak hours. However, strategic photovoltaic (PV) panel placement enables the reduction of operational energy cost while considering the spatial feasibility and efficiency for hosting rooftop PV. In this paper, we present a framework to automatically identify the optimal location of rooftop PV panels on residential buildings. Our framework integrates multiple workflows, including energy and environmental simulation, parametric modeling, and optimization to identify the ideal location of PV panels to balance the demand and supply at a building and community scale. These workflows are linked using the Grasshopper plug-in for Rhinoceros CAD software. The framework includes two different workflows, each satisfying a target for optimal PV placement: (a) maximizing PV panel efficiency, where users aim to maximize energy generation, and (b) minimizing operational energy cost, where "best'' panels are selected considering utility rates for operational energy cost. Our framework is demonstrated in a residential community in Fort Collins, Colorado, to generate the optimal PV placement for each of the two aforementioned targets. Results from the two workflows are compared to illustrate the effect of PV location and orientation on solar energy production efficiency and operational energy cost. The developed workflows are introduced as tools within the Grasshopper plug-in to investigate the solar potential of rooftop PV panels while taking into account factors such as contextual shading, utility rate structures, and buildings' energy demand profiles.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2017

Polyhedral approximation in mixed-integer convex optimization

Generalizing both mixed-integer linear optimization and convex optimization, mixed-integer convex optimization possesses broad modeling power but has seen relatively few advances in general-purpose solvers in recent years. Here, we intend to provide a broadly accessible introduction to our recent work in developing algorithms and software for this problem class. Our approach is based on constructing polyhedral outer approximations of the convex constraints, resulting in a global solution by solving a finite number of mixed-integer linear and continuous convex subproblems. The key advance we present is to strengthen the polyhedral approximations by constructing them in a higher-dimensional space. In order to automate this extended formulation we rely on the algebraic modeling technique of disciplined convex programming (DCP), and for generality and ease of implementation we use conic representations of the convex constraints. Although our framework requires a manual translation of existing models into DCP form, after performing this transformation on the MINLPLIB2 benchmark library we were able to solve a number of unsolved instances and on many other instances achieve superior performance compared with state-of-the-art solvers like Bonmin, SCIP, and Artelys Knitro.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

A frequentist approach to computer model calibration

The paper considers the computer model calibration problem and provides a general frequentist solution. Under the framework proposed, the data model is semiparametric with a non-parametric discrepancy function which accounts for any discrepancy between physical reality and the computer model. In an attempt to solve a fundamentally important (but often ignored) identifiability issue between the computer model parameters and the discrepancy function, the paper proposes a new and identifiable parameterization of the calibration problem. It also develops a two-step procedure for estimating all the relevant quantities under the new parameterization. This estimation procedure is shown to enjoy excellent rates of convergence and can be straightforwardly implemented with existing software. For uncertainty quantification, bootstrapping is adopted to construct confidence regions for the quantities of interest. As a result, the practical performance of the methodology is illustrated through simulation examples and an application to a computational fluid dynamics model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Quantum Network Repeater Simulation Package (QNPack) v1.0.0

Existing quantum network testbeds and prototypes are typically implemented in laboratory experiments with limited functionality and operate in a tightly coupled manner. These characteristics make it difficult to evaluate the behavior of emerging quantum platforms and protocols beyond local resource limitations. The QNPack software enables full-stack modeling of quantum repeater networks that allows researchers to simulate new approaches, and understand emergent behaviors, from local to national scales. Novel capabilities include: (1) performant and accurate quantum models that can be executed as independent simulations, which will allow users to characterize specific analog quantum processes, quantum devices, and protocols, (2) a modular and extensible approach to the simulation architecture to accommodate new quantum technologies, protocols, and topologies as they are developed across the quantum repeater generations under evaluation, and (3) a focus on managing the interactions between the simulation framework sub-components so that they may be re-used and composed in flexible ways.

Kissel, Ezra [Lawrence Berkeley National Laborator↗
DOE OSTI2025

Advanced System Thermal Fluids Solver Development for SAM

This work summarizes a feasibility study on testing numerical algorithms that are suitable and efficient for advanced system analysis code development under the mutli-physics framework, MOOSE. The key is the implementation of a high-order one-dimensional staggered-grid finite volume method (SG-FVM), and its direct interaction with the linear/nonlinear solver, PETSc. Leveraging the existing capabilities of the SAM code, significant code coverages were established in the finite volume method code. This in turn allows for a suite of test problems with different problem sizes and levels of complexity to be used to quantify the performance improvement of the finite volume method code. As evidently shown in this study, the implemented SG-FVM demonstrated superior performance improvement against a direct finite element method implementation through MOOSE for the wide range of selected problems. On two computer systems, the speedup was observed to be significant, with at least one order of magnitude of solving time reduction. In addition, for a complex reactor model, transient simulation was performed using the finite volume method code, the results of which agree very well with the reference results from the finite element method code. Overall, this study demonstrates a successful feasibility study on the proposed numerical algorithms and software structure to support advanced system analysis tool development. In this work, short-term priority development and testing items were identified, and long-term code adoption and integration plans were made for the eventual deployment of the finite volume method in the SAM code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)

The capabilities of current computer simulations provide a unique opportunity to model small-angle scattering (SAS) data at the atomistic level, and to include other structural constraints ranging from molecular and atomistic energetics to crystallography, electron microscopy and NMR. This extends the capabilities of solution scattering and provides deeper insights into the physics and chemistry of the systems studied. Realizing this potential, however, requires integrating the experimental data with a new generation of modelling software. To achieve this, the CCP-SAS collaboration (http://www.ccpsas.org/) is developing open-source, high-throughput and user-friendly software for the atomistic and coarse-grained molecular modelling of scattering data. Robust state-of-the-art molecular simulation engines and molecular dynamics and Monte Carlo force fields provide constraints to the solution structure inferred from the small-angle scattering data, which incorporates the known physical chemistry of the system. The implementation of this software suite involves a tiered approach in which GenApp provides the deployment infrastructure for running applications on both standard and high-performance computing hardware, and SASSIE provides a workflow framework into which modules can be plugged to prepare structures, carry out simulations, calculate theoretical scattering data and compare results with experimental data. GenApp produces the accessible web-based front end termed SASSIE-web , and GenApp and SASSIE also make community SAS codes available. Applications are illustrated by case studies: (i) inter-domain flexibility in two- to six-domain proteins as exemplified by HIV-1 Gag, MASP and ubiquitin; (ii) the hinge conformation in human IgG2 and IgA1 antibodies; (iii) the complex formed between a hexameric protein Hfq and mRNA; and (iv) synthetic `bottlebrush' polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Berkeley Lab Finite Element Framework (BELFEM) v0.1

The software program, referred to as BELFEM, is a specialized finite element code designed for the magnetodynamic modeling of high-temperature superconducting (HTS) tapes. It incorporates novel mixed finite element formulations, particularly the h-ϕ-formulation with thin-shell simplification, to efficiently simulate larger geometries. This methodology is extremely promising for predicting the electrodynamic performance of HTS tapes used in superconducting cables and magnets, offering the benefit of reduced computational cost. Compared to similar technologies like COMSOL Multiphysics and GetDP, BELFEM's performance benchmarking indicates superior efficiency in its thin-shell implementation. In the future, it will also support features like thermal coupling and inter-tape current sharing, enhancing its utility in research and development, particularly in nuclear fusion applications. The intent is to develop BELFEM as a robust and efficient tool for the HTS community, contributing to the analysis and design of superconducting cables and magnets.

Messe, Christian↗
DOE OSTI2014

Coastal Ohio Wind Project

The Coastal Ohio Wind Project intends to address problems that impede deployment of wind turbines in the coastal and offshore regions of Northern Ohio. The project evaluates different wind turbine designs and the potential impact of offshore turbines on migratory and resident birds by developing multidisciplinary research, which involves wildlife biology, electrical and mechanical engineering, and geospatial science. Firstly, the project conducts cost and performance studies of two- and three-blade wind turbines using a turbine design suited for the Great Lakes. The numerical studies comprised an analysis and evaluation of the annual energy production of two- and three-blade wind turbines to determine the levelized cost of energy. This task also involved wind tunnel studies of model wind turbines to quantify the wake flow field of upwind and downwind wind turbine-tower arrangements. The experimental work included a study of a scaled model of an offshore wind turbine platform in a water tunnel. The levelized cost of energy work consisted of the development and application of a cost model to predict the cost of energy produced by a wind turbine system placed offshore. The analysis found that a floating two-blade wind turbine presents the most cost effective alternative for the Great Lakes. The load effects studies showed that the two-blade wind turbine model experiences less torque under all IEC Standard design load cases considered. Other load effects did not show this trend and depending on the design load cases, the two-bladed wind turbine showed higher or lower load effects. The experimental studies of the wake were conducted using smoke flow visualization and hot wire anemometry. Flow visualization studies showed that in the downwind turbine configuration the wake flow was insensitive to the presence of the blade and was very similar to that of the tower alone. On the other hand, in the upwind turbine configuration, increasing the rotor blade angle of attack reduced the wake size and enhanced the vortices in the flow downstream of the turbine-tower compared with the tower alone case. Mean and rms velocity distributions from hot wire anemometer data confirmed that in a downwind configuration, the wake of the tower dominates the flow, thus the flow fields of a tower alone and tower-turbine combinations are nearly the same. For the upwind configuration, the mean velocity shows a narrowing of the wake compared with the tower alone case. The downwind configuration wake persisted longer than that of an upwind configuration; however, it was not possible to quantify this difference because of the size limitation of the wind tunnel downstream of the test section. The water tunnel studies demonstrated that the scale model studies could be used to adequately produce accurate motions to model the motions of a wind turbine platform subject to large waves. It was found that the important factors that affect the platform is whether the platform is submerged or surface piercing. In the former, the loads on the platform will be relatively reduced whereas in the latter case, the structure pierces the wave free surface and gains stiffness and stability. The other important element that affects the movement of the platform is depth of the sea in which the wind turbine will be installed. Furthermore, the wildlife biology component evaluated migratory patterns by different monitoring systems consisting of marine radar, thermal IR camera and acoustic recorders. The types of radar used in the project are weather surveillance radar and marine radar. The weather surveillance radar (1988 Doppler), also known as Next Generation Radar (NEXRAD), provides a network of weather stations in the US. Data generated from this network were used to understand general migratory patterns, migratory stopover habitats, and other patterns caused by the effects of weather conditions. At a local scale our marine radar was used to complement the datasets from NEXRAD and to collect additional monitoring parameters such as passage rates, flight paths, flight directions, and flight altitudes of nocturnal migrating species. Our work focused on the design and development of custom built marine radar that used t-bar and parabolic dish antennas. The marine radar used in the project was Furuno (XANK250) which was coupled with a XIR3000B digitizing card from Russell Technologies for collection of the radar data. The radar data was processed by open source radR processing software using different computational techniques and methods. Additional data from thermal IR imaging cameras were collected to detect heat emitted from objects and provide information on movements of birds and bats, data which we used for different animal flight behavior analysis. Lastly, the data from the acoustic recorders were used to provide the number of bird calls for assessing patterns and peak passage rates during migration. The development of the geospatial database included collection of different data sources that are used to support offshore wind turbine development. Many different data sets were collected and organized using initial version of web-based repository software tools that can accommodate distribution of rectified pertinent data sets such as the lake depth, lake bottom engineering parameters, extent of ice, navigation pathways, wind speed, important bird habitats, fish efforts and other layers that are relevant for supporting robust offshore wind turbine developments. Additional geospatial products developed during the project included few different prototypes for offshore wind farm suitability which can involve different stakeholders and participants for solving complex planning problems and building consensus. Some of the prototypes include spatial decision support system (SDSS) for collaborative decision making, a web-based Participatory Geographic Information System (PGIS) framework for evaluating importance of different decision alternatives using different evaluation criteria, and an Android application for collection of field data using mobile and tablet devices . In summary, the simulations of two- and three-blade wind turbines suggested that two-bladed machines could produce comparable annual energy as the three-blade wind turbines but have a lighter tower top weight, which leads to lower cost of energy. In addition, the two-blade rotor configuration potentially costs 20% less than a three blade configuration that produces the same power at the same site. The cost model analysis predicted a potential cost savings of approximately 15% for offshore two-blade wind turbines. The foundation design for a wind turbine in Lake Erie is likely to be driven by ice loads based on the currently available ice data and ice mechanics models. Hence, for Lake Eire, the cost savings will be somewhat smaller than the other lakes in the Great Lakes. Considering the size of cranes and vessels currently available in the Great Lakes, the cost optimal wind turbine size should be 3 MW, not larger. The surveillance data from different monitoring systems suggested that bird and bat passage rates per hour were comparable during heavy migrations in both spring and fall seasons while passage rates were significantly correlated to wind directions and wind speeds. The altitude of migration was higher during heavy migrations and higher over water relative to over land. Notable portions of migration on some spring nights occurred parallel the shoreline, often moving perpendicular to southern winds. The birds approaching the Western basin have a higher propensity to cross than birds approaching the Central basin of Lake Erie and as such offshore turbine development might be a better option further east towards Cleveland than in the Western basin. The high stopover density was more strongly associated with migration volume the following night rather than the preceding night. The processed mean scalar wind speeds with temporal resolutions as fine as 10-minute intervals near turbine height showed that August is the month with the weakest winds while December is the month, which typically has the strongest winds. The ice data suggests that shallow western basin of Lake Erie has higher ice cover duration many times exceeding 90 days during some winters.

17 WIND ENERGY↗
DOE OSTI2020

Numerical Validation of an Algorithm for Combined Soiling and Degradation Analysis of Photovoltaic Systems

We describe and demonstrate an open-source algorithm for simultaneously quantifying degradation and soiling of photovoltaic (PV) systems from energy-production time series data. The new analysis is based on year-on-year degradation rate analysis combined with stochastic rate and recovery soiling analysis. The algorithm is designed to fit into the workflow provided by RdTools, a Python module maintained by NREL and collaboratively developed with the community, which provides a framework and functions for degradation and loss-factor analysis of PV field data. We demonstrate the method on numerically simulated PV data sets and show that it reduces the root-mean-square error of the P50 degradation rate estimate when soiling is present.

14 SOLAR ENERGY↗
DOE OSTI2016

Extension of the sasCIF format and its applications for data processing and deposition

Recent advances in small-angle scattering (SAS) experimental facilities and data analysis methods have prompted a dramatic increase in the number of users and of projects conducted, causing an upsurge in the number of objects studied, experimental data available and structural models generated. To organize the data and models and make them accessible to the community, the Task Forces on SAS and hybrid methods for the International Union of Crystallography and the Worldwide Protein Data Bank envisage developing a federated approach to SAS data and model archiving. Within the framework of this approach, the existing databases may exchange information and provide independent but synchronized entries to users. At present, ways of exchanging information between the various SAS databases are not established, leading to possible duplication and incompatibility of entries, and limiting the opportunities for data-driven research for SAS users. In this work, a solution is developed to resolve these issues and provide a universal exchange format for the community, based on the use of the widely adopted crystallographic information framework (CIF). The previous version of the sasCIF format, implemented as an extension of the core CIF dictionary, has been available since 2000 to facilitate SAS data exchange between laboratories. The sasCIF format has now been extended to describe comprehensively the necessary experimental information, results and models, including relevant metadata for SAS data analysis and for deposition into a database. Processing tools for these files ( sasCIFtools ) have been developed, and these are available both as standalone open-source programs and integrated into the SAS Biological Data Bank, allowing the export and import of data entries as sasCIF files. Software modules to save the relevant information directly from beamline data-processing pipelines in sasCIF format are also developed. Lastly, this update of sasCIF and the relevant tools are an important step in the standardization of the way SAS data are presented and exchanged, to make the results easily accessible to users and to promote further the application of SAS in the structural biology community.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2017

Landscape Environmental Assessment Framework

LEAF Version 2.0 is a framework comprising of three models RUSLE2, WEPS, and AGNPS. The framework can predict row crop, crop residue, and energy crop yields at a sub-field resolutions for various combinations of soil, climate and crop management and residue harvesting practices. It estimates the loss of soil, carbon, and nutrients to the atmosphere, to the groundwater, and to runoff. It also models the overland flow of water and washed-off sediments, nutrients and other chemicals to provide estimates of sediment, nutrient, and chemical loadings to water bodies within a watershed. AGNPS model and wash-off calculations are the new additions to this version of LEAF. Development of LEAF software is supported by DOE's BETO program.

Nair, Shyam↗
DOE OSTI2016

Parallel-In-Time For Moving Meshes

With steadily growing computational resources available, scientists must develop e ective ways to utilize the increased resources. High performance, highly parallel software has be- come a standard. However until recent years parallelism has focused primarily on the spatial domain. When solving a space-time partial di erential equation (PDE), this leads to a sequential bottleneck in the temporal dimension, particularly when taking a large number of time steps. The XBraid parallel-in-time library was developed as a practical way to add temporal parallelism to existing se- quential codes with only minor modi cations. In this work, a rezoning-type moving mesh is applied to a di usion problem and formulated in a parallel-in-time framework. Tests and scaling studies are run using XBraid and demonstrate excellent results for the simple model problem considered herein.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Probabilistic Error Bounds for Low-Rank Tensor Decompositions Used in Large-Scale Data Analysis Applications (LDRD Final Report)

This report documents a research project on analyzing low-rank tensor models for data analysis that took place at Sandia National Laboratories from October 2023–September 2025. The focus of this work was to extend theoretical frameworks from statistics and probability theory for use with models for scalar, vector, and matrix data to models with tensor, or general multi-dimensional array, data. Through this work, we have provided a new set of tools for bounding errors on low-rank tensor models of both complete and sampled data. The remainder of this report is organized as follows. In Section 1, we describe the proposed work at the start of the project. Section 2 describes the research advances made as part of the project. Other research contributions in the form of conference presentations and software development is provided in Section 3. Workforce development at Sandia and Florida Atlantic University (via a subcontract on this project) is provided in Section 4.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Agile Acceleration of LLVM Flang Support for Fortran 2018 Parallel Programming

The LLVM Flang compiler ("Flang") is currently Fortran 95 compliant, and the frontend can parse Fortran 2018. However, Flang does not have a comprehensive 2018 test suite and does not fully implement the static semantics of the 2018 standard. We are investigating whether agile software development techniques, such as pair programming and test-driven development (TDD), can help Flang to rapidly progress to Fortran 2018 compliance. Because of the paramount importance of parallelism in high-performance computing, we are focusing on Fortran’s parallel features, commonly denoted “Coarray Fortran.” We are developing what we believe are the first exhaustive, open-source tests for the static semantics of Fortran 2018 parallel features, and contributing them to the LLVM project. A related effort involves writing runtime tests for parallel 2018 features and supporting those tests by developing a new parallel runtime library: the CoArray Fortran Framework of Efficient Interfaces to Network Environments (Caffeine).

Rasmussen, Katherine↗
DOE OSTI2017

Landscape Environmental Assessment Framework

LEAF Version 2.0 is a framework comprising of three models RUSLE2, WEPS, and AGNPS. The framework can predict row crop, crop residue, and energy crop yields at a sub-field resolutions for various combinations of soil, climate and crop management and residue harvesting practices. It estimates the loss of soil, carbon, and nutrients to the atmosphere, to the groundwater, and to runoff. It also models the overland flow of water and washed-off sediments, nutrients and other chemicals to provide estimates of sediment, nutrient, and chemical loadings to water bodies within a watershed. AGNPS model and wash-off calculations are the new additions to this version of LEAF. Development of LEAF software is supported by DOE's BETO program.

Nair, Shyam↗