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DOE OSTI2020

Greggd

greg(g)d - Global runtime for eBPF-enabled gathering (w/ gumption) daemon Recently the linux kernel has added support for low-level kernel monitoring and profiling through a in-kernel virtual machine. The tooling around these new features (the extended Berkley Packet Filter or eBPF for short) is not mature and is difficult to use. Benefits from eBPF are especially hard to realize while trying to do large scale deployments and integrate with existing metric analysis stacks. A tool was needed to enable loading and collecting data from eBPF programs on large scale HPC systems. Given the problems above it was obvious we needed some wrapper program to compile, load, and collect data from eBPF programs running in the kernel. This tool needed to be lightweight without a heavy set of dependencies, relatively stable between different kernel versions, and integrate nicely with existing widely used metric collection tools. We wrote a program that wraps the eBPF tooling and sends data to our metric gathering tool. eBPF programs are either compiled using the host compiler stack, or loaded in the kernel directly from an object file. These programs are then attached to the system calls that we want to profile. Whenever these system calls are run, the eBPF program collects information of interest and writes that to memory. Our wrapper program polls these memory locations, reads and formats the data, then sends the information to a local unix socket. Our other monitoring tools are configured to read from that socket and send it to the rest of our metric monitoring stack for analysis.

Voss, Joseph [Oak Ridge National Lab. (ORNL), Oak ↗

DOE OSTI2019

NAMSA

In NAMSA, we introduce two main solutions to address the limitations of MSA-type algorithms for simulation of electron scattering/microscopy data: just-in-time compilation and work partitioning via MPI and GPU-to-GPU communication. First, the just-in-time (JIT) compilation strategy produces optimally tuned CUDA C++ kernels due to the data layout being perfectly known at runtime and compiled via calls from the Python interpreter. NAMSA automatically optimizes the 2-D FFT planning, and CUDA multi-streams scheduling/launching of probe simulations. With NAMSA, we can simulate electron scattering/microscopy on hundreds to thousands of GPUs, while removing the major limitations of memory and bandwidth from MSA.

Laanait, Nouamane↗

DOE OSTI2020

Quantum Fast Circuit Optimizer (qFactor) v1

Quantum programs are represented as circuits, or sequences of gates. A common problem during quantum compilation to find a circuit that implements a target program. This is an optimizer, it optimizes a circuit's distance to the target by solving for the best fit gates. It is not a standard optimizer, it only optimizes circuits. It is not a compiler or synthesizer, it cannot build circuits, but given a circuit structure, it will solve for the gates. Quantum compilers (qsearch, qfast) use standard numerical optimizers. This has advantages over those general-purpose optimizers since it is domain-specific.

Younis, Ed↗

DOE OSTI2014

The OpenSHMEM Analyzer

The OpenSHMEM Analyzer is a compiler-based tool that can help users detect errors and provide useful analyses about their OpenSHMEM applications. The tool is built on top of the OpenUH compiler (a branch of Open64 compiler) and presents OpenSHMEM information as feedback to the user. Some of the analyses it provides include checks for correct usage of symmetric variables in OpenSHMEM calls, out-of-bounds checks for symmetric data, checks for the correct initialization of pointers to symmetric data, and symmetric data alias information.

Hernandez, Oscar↗

DOE OSTI2022

QGLab v0.0.1

A software program for experimenting with holographic teleportation protocol on quantum computers. The code implements the protocol that was proposed in https://arxiv.org/abs/1911.06314. The code is an end-to-end software solution that facilitates conducting the holographic teleportation experiments on state-of-the-art and emergent generations of QPUs supported by the Qiskit and tket SDKs. The code bundles all stages of an experiment as a single configurable workflow allowing faster development and experimentation cycles. Features: 1. Easy switching between Qiskit and tket quantum compilers. 2. Semi-automatic facilities for finding optimal compilation solutions beyond what Qiskit and tket provide by default. 3. Experiment resolution scaling (based on automatic jobs' batching). 4. Automatic experiment scaling over qubits. 5. Automatic readout error mitigation. 6. Automatic reproducibility analysis. 7. Standalone error-mitigation tools (randomized compiling, mitigation with estimation circuits, zero-noise extrapolation)

Shapoval, Illya↗

DOE OSTI2022

Inference-Engine v0.1.0

Given a pre-trained neural network, Inference-Engine performs maps network inputs to outputs by executing the forward pass through the provided network. Although the predominant programming language for machine-learning is Python, most high-performance computing (HPC) applications are written in Fortran, C, or C++. Inference-Engine aims to support HPC programs and is written in Fortran, a language with a large feature set supporting interoperability with C. This software exposes concurrency in a portable way by using standard language features that some modern Fortran compilers can exploit with various optimizations, including offloading computation to a Graphics Processing Unit (GPU). In particular, this software makes extensive use of Fortran's "do concurrent" parallel loop construct, implicitly parallel array statements, and pure procedures that can be invoked inside "do concurrent" blocks. Inference-Engine also supports dynamic choice of inference methods at runtime. Two current options include one method that uses Fortran's "dot_product" intrinsic function inside "do concurrent" blocks and another method that instead uses Fortran' "matmul" array intrinsic function. We plan to investigate automatic compiler offloading of "do concurrent" calculations to GPUs and compile-time substitution of optimized libraries such as the Basic Linear Algebra Library (BLAS) for "matmul" invocations. We also envision the potential for the choice of which method to use could happen at program launch based on in situ performance measurements on any given platform.

Rouson, Damian↗

DOE OSTI2022

Clang UPC2C Translator (Clang UPC2C) v9.0.1-1

Clang Unified Parallel C 2 C (Clang UPC2C) translator compiles programs written in the UPC (Unified Parallel C) language to ISO C99, with calls to the Berkeley UPC runtime system. The Clang UPC2C compiler extends the capabilities of the Clang LLVM C frontend to comply with the UPC Language Specification version 1.3. The compiler generates programs that run on a wide variety of systems ranging from workstations to leadership-class supercomputers, in conjunction with the Berkeley UPC runtime and GASNet communication system. In addition to the standard UPC libraries, Clang UPC2C also provides access to Berkeley UPC library extensions.

Hargrove, Paul↗

DOE OSTI2023

EyeON

EyeON: Eye on Operational technology Software Supply Chain attacks have risen drastically over the past few years, none more well-known and impactful than the SolarWinds compromise. Criminal organizations inserted an attack vector into a specific version of the source code, giving themselves an air of credibility. Once news broke on SolarWinds, identifying compromised sites was very difficult, even knowing the culprit update. Software Bills of Materials (SBOM) have been touted as the solution to reclaiming control of your software supply chain. Deployment of SBOMs has been slow, however, due to conflicting standards, opaque storage requirements, and vendor adoption. Additionally, the path from obtaining an SBOM and securing your supply chain is unclear; how can an SBOM library be leveraged to provide insight to your attack surface? The EyeON tool, sponsored by Department of Energy Cybersecurity, Energy Security, and Emergency Response (DoE CESER), aims to address these gaps by providing an encapsulated solution to tracking which updates have been installed in an enterprise, and alerting system administrators to vulnerabilities as they become known. Similar to a virus scanner, EyeON is a command line tool to parse either a single file, nested directory structure, or filesystem. It collects data such as signature (hashes), version information, VirusTotal tags, compiler, compilation date, and code signing information. Users will anonymously submit scan data periodically to DoE CESER, who will then compile a database of known software products employed by Critical Infrastructure and broadcast alerts based on discovered flaws as they arise.

Tenzing, Wangmo↗

DOE OSTI2025

Dtc Commercialization Software Package

This code is the complete software and firmware components supporting DTC model radios H2 and BluSDR6. This software package contains all the hardware boot up code/config files(BSP), user space Linux code (Web, Network, MAC (media access control) & drivers), the field programable gate array HDL (hardware description language) code and the build environment to compile and organize these components together to work in the aforementioned radios. Additional details of these components are as follows: • Hardware support components o Board support package and configuration files o uBoot • Linux Components: o The web components include the user interface for setup, configuration, and status components of the system. o Vulture code configures the radio’s IP network, configures radio parameters and runs the MAC layer of the radio. • The Field Programmable Gate Array HDL contains hardware drivers, interface logic to go between the software to the physical layer and the radio hardware as well as the logic for the physical layer of the radio. • Build environment includes compilers and config files that compile and organize all the other components to be able to be run on the radios.

Loera, Jose [Idaho National Laboratory (INL), Idah↗

DOE OSTI2026

AstraAI v1

AstraAI is an open-source, structure-aware AI coding agent designed for large scientific and DOE-HPC codebases such as AMReX-based applications. Unlike general-purpose coding assistants, AstraAI combines retrieval-augmented generation (RAG) with compiler-level Abstract Syntax Tree (AST) analysis to perform precise, scope-constrained code modifications. It identifies exact function spans, enforces locality of edits, and maintains cross-file invariants, enabling deterministic and build-safe transformations in complex C++/GPU environments. AstraAI is intended for developers working on large, evolving HPC frameworks where correctness, reproducibility, and structural integrity are critical. Typical use cases include modifying physics kernels, updating GPU device lambdas, and performing multi-file refactors without breaking compilation or runtime semantics. Compared to conventional LLM-based coding agents - even those with repository access - AstraAI provides structural guarantees rather than free-form text patches. It minimizes unintended diffs, prevents scope drift, preserves formatting and build stability, and reduces structural hallucinations. By integrating compiler tooling directly into the generation loop, AstraAI transforms AI-assisted coding from probabilistic text editing into deterministic, structure-preserving program transformation suitable for mission-critical scientific software.

Natarajan, Mahesh [Lawrence Berkeley National Labo↗

DOE OSTI2019

Ongoing solution reproducibility of earth system models as they progress toward exascale computing

We present a methodology for solution reproducibility for the Energy Exascale Earth System Model during its ongoing software infrastructure development to prepare for exascale computers. The nonlinear chaotic nature of climate system simulations precludes traditional model verification approaches since machine precision differences—resulting from code refactoring, changes in software environment, and so on—grow exponentially to a different weather state. Here, we leverage the nature of climate as a statistical description of the atmosphere in order to establish model reproducibility. We evaluate the degree to which two-sample equality of distribution tests can confidently detect the change in climate from minor tuning parameter changes on model output variables in order to establish the level of difference that indicates a new climate. To apply this (baselined test), we target a section of the model’s development cycle wherein no intentional science changes have been applied to its source code. We compare an ensemble of short simulations that were conducted using a verified model configuration against a new ensemble with the same configuration but with the latest software infrastructure (Common Infrastructure for Modeling the Earth, CIME5.0), compiler versions, and software libraries. We also compare these against ensemble simulations conducted using the original version of the software infrastructure (CIME4.0) of the earlier model configuration, but with the latest compilers and software libraries, to test the impact of new compilers and libraries in isolation from additional software infrastructure. The two-sample equality of distribution tests indicates that these ensembles indeed represent the same climate.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Clacc: OpenACC for C/C++ in Clang

The Clacc project has developed OpenACC compiler, runtime, and profiling interface support for C/C++ by extending Clang and LLVM. A key Clacc design feature is that it translates OpenACC to OpenMP to leverage the OpenMP offloading support that is actively being developed for Clang and LLVM. A benefit of this design is support for two compilation modes: traditional compilation mode produces a binary, and source-to-source mode produces OpenMP source. Clacc has been deployed on Oak Ridge National Laboratory’s (ORNL’s) Frontier, on which Clacc is the only OpenACC implementation for C/C++. Clacc supports x86_64, POWER9, AMD GPUs, and NVIDIA GPUs. Clacc’s OpenACC profiling interface support has been integrated with TAU, which is also deployed on Frontier. While Clacc has always supported C as a base language, Clacc also has increasing C++ support, including support for Kokkos’s OpenACC back end. Clacc itself is hosted publicly on GitHub. In this paper, we describe Clacc’s design and mapping from OpenACC directives to OpenMP. We also present a performance evaluation on ORNL’s Frontier (AMD MI250x GPU offload) and Argonne National Laboratory’s (ANL’s) Polaris (NVIDIA A100 GPU offload) for various SPEC ACCEL and Kokkos OpenACC back end benchmarks.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Utah FORGE: Geochemical Data for Cold Groundwaters and Produced Geothermal Fluids

Geochemical data for cold groundwaters and produced geothermal fluids around the Utah FORGE site. The data is compiled into four tables in the attached Excel File. Table 1 is a compilation of compositions (anions, cations, weak acids, oxygen, hydrogen, and carbon isotopes) for cold groundwaters and produced geothermal waters in the Milford valley, Utah. Table 2 is a compilation of noble gas (He, Ne, Ar) and He and Ne isotopic compositions for cold groundwaters and produced geothermal waters in the Milford valley, Utah. Table 3 provides values for calculated advective and diffusive fluxes of helium. Table 4 provides values of calculated subsurface stored heat between the Opal Mound fault and the Utah FORGE site, which are related to volumes of recently solidified magmatic heat sources.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

Global meta-analysis of published river bank erosion and migration rates

This dataset is a compilation of 993 measurements of riverbank erosion or migration rates from 336 rivers and streams compiled from 169 published English language studies. The dataset spans rivers across latitudes ranging from 46 deg south to 71 deg north. The rivers range in drainage area from 0.6 to 3 million square kilometers. If provided in a published study, recorded channel width, river drainage area, and sediment load and/or yield were summarized. In the absence of these ancillary data from the original source, this data was compiled from other published studies, global and regional datasets, or measured from Google Earth images. The dataset also provides information on whether the rates were measured at an individual river bend or represent reach-based averages, as well as, whether the river is single or multi-threaded.Revisions 2023 January updateAdded 72 new erosion measurements. Dropped 10 records that did not have mean erosion values.“DrainageArea(km^2)_rabpro” added“DrainageArea(km^2)” – updated to only include published drainage area and values obtained from sources other than the rabpro analysis.“River_slope_pub” added to provide river slope values provided in the published erosion study or other source listed in the “Slope Reference” field“RiverSlope_Lin” added“FLO1K_MonthlyMax_LT” and “FLO1K_MontlyMax_PoR” added“KG_Zone” added from Köppen-geiger climate classification based on Beck et al. 2018

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

The LAKE model input dataset for three Arctic lakes

This dataset contains meteorological data collected for three Arctic lakes and compiled to satisfy input requirements of the LAKE 2.0 model. The dataset was generated to act as a benchmarking dataset for future model-data inter-comparisons. The LAKE 2.0 model simulates temperatures within the water later and the sedimentary layer of a lake. The LAKE2.0. is an open-source code and available to download via this weblike http://tesla.parallel.ru/Viktor/LAKE/-/wikis/LAKE-model (last visit July 14, 2021). The meteorological data are required to simulate the surface energy balance at the surface of a lake. This dataset includes a compilation of the meteorological data pulled from multiple data streams, including National Oceanic and Atmospheric Administration (NOAA) climate data, Circumarctic Lakes Observation Network (CALON) data, and the United States Geological Survey (USGS) data. The data were compiled for three Arctic lakes: FoxDen (66.55877, -164.45670), Atqasuk (70.452497, -156.951984), and Toolik (68.63150, -149.60740). Each meteorological data is in comma-delimited format (file extension ‘.dat’) and includes eight columns: Temperature [K], Pressure [Pa], longwave downward radiation [W/m2], shortwave downward radiation [W/m2], “U” wind speed [m/s], ”V” wind speed [m/s], humidity [kg/kg], precipitation [m/s]. In addition to the meteorological data file, we included setup and driver files. The Toolik lake is the deepest out of three lakes and has inflowing and outflowing groundwater data. InflowOutflowREADME.txt has more information about inflow and outflow flies. The other two lakes are much shallower and modeled as a closed system (i.e. no water inflow or outflow).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Community Based Data of Uranium Adsorption onto Quartz

This data upload includes a compilation of experiments for quantifying uranium adsorption onto quartz. The provided .csv file has been compiled from the literature in a findable, accessible, interoperable, reusable (FAIR) data format. This was accomplished using the Lawrence Livermore National Laboratory Surface Complexation Database Converter (SCDC) code written in the R programming language (free licensing available at https://ipo.llnl.gov/technologies/software/llnl-surface-complexation-database-converter-scdc). This constitutes all current data compiled on uranium-quartz interactions in the L-SCIE (LLNL Surface Complexation/Ion Exchange) database (as of 02/28/2022). This data was used to develop surface complexation models that fit the global community dataset (https://doi.org/10.1021/acs.est.1c07109). The FAIR-formatted dataset also enables the implementation of alternative machine-learning approaches that can be explored in the future.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Linking resource availability to pantropical forest canopy resistance and resilience to cyclone disturbance

Statement of purpose: Tropical cyclones are intensifying and occurring at higher latitudes in recent decades, but the mechanisms underpinning the resistance (ability to withstand disturbance-induced change) and resilience (pace of return to pre-disturbance reference values) of tropical forests to cyclones remains largely unexplored at the pantropical scale. We conducted a meta-analysis to investigate the role of soil resource availability (i.e., total soil phosphorus concentration) in mediating site-level forest canopy resistance and resilience to cyclones pan-tropically. We evaluated cyclone-induced and post-cyclone litterfall mass (g/m2/day), phosphorus (P) and nitrogen (N) fluxes (mg/m2/day), as well as concentrations (mg/g) across 73 case studies in Australia, Guadeloupe, Hawaii, Mexico, Puerto Rico, and Taiwan. The dataset zip file includes three data and two metadata files: - The compiled Litterfall Mass Flux data from tropical forests across the globe prior to and after varying tropical cyclone disturbances are provided in Litterfall_Mass.csv. This data file also includes site location, geographical characteristics, elevation, soil phosphorus concentration, geology, and several variables related to each tropical cyclone disturbance. - The compiled Litterfall Nitrogen and Phosphorus Flux data from tropical forests across the globe prior to and after varying tropical cyclone disturbances are provided in Litterfall_Nutrients.csv. This data file also includes site location, geographical characteristics, elevation, soil phosphorus concentration, geology, and several variables related to each tropical cyclone disturbance. - Tropical cyclone track data compiled from HURDAT2 and IBTrACS databases and used as input in the HURRECON model (https://github.com/hurrecon-model/HurreconR) to generate wind data is provided in hurdat2-1851-2019-052520.txt. - The metadata file (Metadata_Meta-analysis_Litterfall-Mass.pdf) has the complete information on each variable included in the Litterfall_Mass.csv dataset, the data sources, and data processing information. - The metadata file (Metadata_Meta-analysis_Litterfall-Nutrients.pdf) has the complete information on each variable included in the Litterfall_Nutrients.csv dataset, the data sources, and data processing information.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Compositional Dataflow Via Abstract Transition Systems

Despite decades of research and development of dataflow analyses within dozens of different compiler infrastructures, analysis of real programs is intractable in practice. The reason is that although a single research group is equipped to model a single well-defined aspect of application behavior, application developers use a very wide range of abstractions and coding techniques within a single application. Since to analyze even a single application all of its complexities must be modeled, researchers must combine analyses from multiple groups into comprehensive analysis frameworks such as OpenAnalysis or LLVM. Analysis composition is expensive in practice, requiring development effort that is quadratic in the number of analyses as well as tight inter-group coordination to maintain consistent APIs to each other’s symbolic abstractions. This paper proposes an approach to building compiler analysis frameworks that simplifies the composition of independently-developed analyses. It formalizes the operation of dataflow analyses in a way that simplifies reasoning about various types of analysis composition. Further, it defines a portable abstraction that can represent the results of many real analyses, making it possible for different analyses to leverage each other’s results with no knowledge of their APIs or internal abstractions and without any coordination between the groups that developed them. We have developed the Fuse compositional analysis framework based on this abstraction, and integrated it in the ROSE [15] compilation system. Our experience is that this approach greatly simplifies composition of program analyses, making it easy to tailor different combinations of program analyses to different input programs.

97 MATHEMATICS AND COMPUTING↗