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PETSc Users Manual (Rev. 3.13)

This manual describes the use of PETSc for the numerical solution of partial differential equations and related problems on high-performance computers. The Portable, Extensible Toolkit for Scientific Computation (PETSc) is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all message-passing communication. PETSc includes an expanding suite of parallel linear solvers, nonlinear solvers, and time integrators that may be used in application codes written in Fortran, C, C++, and Python. PETSc provides many of the mechanisms needed within parallel application codes, such as parallel matrix and vector assembly routines. The library is organized hierarchically, enabling users to employ the level of abstraction that is most appropriate for a particular problem. By using techniques of object-oriented programming, PETSc provides enormous flexibility for users. PETSc is a sophisticated set of software tools; as such, for some users it initially has a much steeper learning curve than a simple subroutine library. In particular, for individuals without some computer science background, experience programming in C, C++, python, or Fortran and experience using a debugger such as gdb or dbx, it may require a significant amount of time to take full advantage of the features that enable efficient software use. However, the power of the PETSc design and the algorithms it incorporates may make the efficient implementation of many application codes simpler than \rolling them" yourself.

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PETSc Users Manual (Revision 3.15)

This manual describes the use of the Portable, Extensible Toolkit for Scientific Computation (PETSc) for the numerical solution of partial differential equations and related problems on high-performance computers. PETSc is a suite of data structures and routines that provide the building blocks for the implementation of large-scale application codes on parallel (and serial) computers. PETSc uses the MPI standard for all distributed memory communication.

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OTERR User Manual

OTERR (Optimization of TEst Reactor Reloading) is a software tool created to assist in the determination of optimal fuel reloading patterns for test reactors. The intended application is for the Versatile Test Reactor (VTR) program, but it provides functions that could be useful for analysis and optimization of many types of fast reactors. OTERR does not perform neutron/gamma transport, heat transfer, thermal hydraulics, or depletion calculations. Instead, it acts as a wrapper around codes that provide these capabilities, with a native genetic algorithm optimization capability. At this time, wrapping is only implemented for Argonne Reactor Computation (ARC) codes DIF3D, REBUS, and GAMSOR, and SE2-ANL. OTERR also has capabilities to facilitate input creation for DASSH, a thermal hydraulics code similar to SE2- ANL being developed for the VTR program.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Sandia Toolkit Manual Version 5.15.6

This report provides documentation for the Sandia Toolkit (STK) modules. STK modules are intended to provide infrastructure that assists the development of computational engineering software such as finite-element analysis applications. STK includes modules for unstructured-mesh data structures, reading/writing mesh files, geometric proximity search, and various utilities. This document contains a chapter for each module, and each chapter contains overview descriptions and usage examples. Usage examples are primarily code listings which are generated from working test programs that are included in the STK code-base. A goal of this approach is to ensure that the usage examples will not fall out of date.

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StrmtbGen Fortran Program, Version 2

This zip file contains files storing Fortran source code, compiled files, an executable file for Windows computers, and example input and output files for StrmtbGen. StrmtbGen is a Fortran program that generates streamlines and stream tubes. StrmtbGen and StrmtbFlow comprise the FE/NETL CO2 Prophet Model, which is a streamline/stream tube reservoir simulator for modeling CO2 EOR. StrmtbGen's user’s manual as well as StrmtbFlow and its user's manual and a report on the mathematical basis for the FE/NETL CO2 Prophet Model are available on NETL's website under the Collection Name: FE/NETL CO2 Prophet Model.

Morgan, David↗

DEPRECATED AI-Batt-OS (Autonomous Identification of Battery Life Models - Open Source) [SWR 21-17]

DEPRECATED. This repository was archived by the owner on Jun 30, 2026. It is now read-only. Open source implementation of some of the methods utilized by AI-Batt, a battery lifetime modeling and analysis toolkit provided by the National Laboratory of the Rockies (NLR). This software demonstrates the use of bi-level optimization and symbolic regression techniques to semi-autonomously identify algebraic models predicting the capacity fade of lithium-ion batteries during calendar aging. Modeling the degradation of batteries is a complex task, due to the difficulty in separating the time-dependent and time-independent factors impacting cell level degradation, across multiple data series with different numbers of measurements and/or data quality. Bi-level optimization enables model parameters to be optimized to either the entire data set or to individual data series, allowing statistical disambiguation of global behaviors (data series independent) and local behaviors (data series dependent). Symbolic regression is used to automatically search for optimal low-dimesional models predicting the variation of locally optimized parameters versus time-independent experimental variables from millions of possible models, resulting in a more accurate and repeatable model identification process than is possible by a manual search. The provided tools also implement cross-validation and bootstrap resampling schemes, empowering statistical model comparison/selection and quantification of model uncertainties. An example script replicates the results from the manuscript "Challenging Practices of Algebraic Battery Life Models through Statistical Validation and Model Identification via Machine-Learning", submitted to ECS. All code is written in MATLAB. Requires the Statistics and Machine Learning Toolbox. Contact Dr. Paul Gasper at Paul.Gasper@nlr.gov for any questions.

Gasper, Paul↗

SIERRA/Aero User Manual (V.5.0)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero Theory Manual (V.5.0)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero Theory Manual (V.5.2)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero User Manual (V.5.2)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero Theory Manual (V.5.4)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero User Manual (V.5.4)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero Theory Manual (V.5.6)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero User Manual (V.5.6)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero User Manual (V.5.10)

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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SIERRA/Aero Theory Manual - V.5.10

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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Fiscal Year 2023 Software Quality Assurance Activities for the ARC Software

The Argonne Reactor Code (ARC) software suite [1-17] has been developed by Argonne researchers for fast reactor design and analysis since the 1970s. With the ARC software suite, a user can quickly build a model of a proposed or existing fast spectrum reactor and carry out fuel cycle, nominal thermal analysis and flow requirements, and assess, as is appropriate, whether the core design and constraint system yield an acceptable mechanical behavior. For transient reactor analysis with SAS4A [18], the ARC software suite can be used to generate reactivity coefficients and kinetics parameters at any modeled fuel cycle time point which forms part of the input to SAS4A. The ARC suite was consistently being developed until the 1990s and followed a software QA program which was an appropriate standard for the time. In the 1990s, the DOE funding to fast reactor research and development was all but eliminated and the ARC software was put into maintenance mode. In the early 2000s, the software quality assurance (SQA) program for ARC was still in place to define an official version, but by 2005 it all but was abandoned as there were insufficient staff to fill the work roles. Since 2005, there has been a considerable increase in research and design work on fast spectrum reactors. The ARC software as a whole has since been exported to many universities and commercial companies and ANL support has been given to the various projects over the years [19-23]. Further, MC 2 -3, PERSENT, and DASSH were all developed after 2005 without any adherence to a software standard. In recent time, the DOE VTR project [22] paid for verification work to be done on the ARC software as part of the goal of making it NQA-1 complaint. The VTR project was not considered the appropriate pathway to fund and maintain a SQA program for the ARC software and while software developments (DASSH) were made and several manuals were updated and software verification work was carried out, the ARC software is not NQA-1 compliant. More recently the Advanced Reactor Development Program (ARDP [23]) has funded the creation of manuals for some ARC utility programs and funded additional software verification work on DIF3D [6, 7] and MC 2 -3 [2-5] for the purpose of commercial grade dedication. Because of the VTR and ARDP projects, software verification work was completed on MC 2 -3 and DIF3D, and detailed reports were created for each piece of software, which discuss the inputs and outputs from the codes that are covered by the verification work and link various analytic, code-to-code, and hand calculation based verification work presented in the report with verification test problems provided with the software. This is a key part of the commercial grade dedication work and constitutes the bulk of the cost to get the ARC software to commercial grade. The ARC software suite is a valuable asset as a fast reactor design and analysis tool set that has been reasonably well verified and validated with various fast reactor benchmark problems and experiments over decades. Some or all of the ARC software suite has been utilized for designing the IFR [20], PGSFR [21], VTR [22], and Natrium [23] reactors and we can expect it to continue to be used for advanced fast reactor design and/or confirmatory calculation purposes in the future. Due to increased interest by commercial companies and regulatory bodies, it is becoming more important to make the ARC software suite complete and ready-to-use in terms of its SQA pedigree and commercial grade dedication needs. This report discusses the achievements made towards building a new SQA program for the ARC software and dealing with outstanding identified QA gaps.

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SIERRA/Aero User Manual - Version 4.56

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment.

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