Program Library Research Articles

GenASiS Mathematics: Object-oriented manifolds, operations, and solvers for large-scale physics simulations (version 2)

GenASiSMathematics provides modern Fortran classes furnishing extensible object-oriented functionality for the solution of fields governed by selected partial differential equations. The initial release included extensible object-oriented implementations of simple meshes and the evolution of generic conserved currents thereon. This revision—Version 2 of Mathematics—includes significant reorganization and streamlining of these classes, higher-order reconstruction by a different method, a Poisson solver, coarsening to avoid Courant time step limitations near coordinate singularities, and the offloading of computational kernels to GPUs. New version program summaryProgram Title:HomogeneousSpheroid, RectangularContraction, RectangularExpansion, SphericalContraction, SphericalExpansion (example problems illustrating GenASiSMathematics)CPC Library link to program files:https://doi.org/10.17632/mzvxngwtw6.2Developer's repository link:https://github.com/GenASiSCode Ocean capsule:https://codeocean.com/capsule/4106782Licensing provisions: GPLv3Programming language: Modern Fortran; OpenMP (tested with recent versions of GNU Compiler Collection (GCC), Cray Compiler Environment (CCE), IBM XL Fortran compiler)Journal reference of previous version: Computer Physics Communications 222 (2018) 384Does the new version supersede the previous version?: YesReasons for the new version: This version includes significant reorganization and streamlining, higher-order reconstruction by a different method, a Poisson solver, coarsening to avoid Courant time step limitations near coordinate singularities, and the offloading of computational kernels to GPUs.Summary of revisions: The left part of Fig. 1 shows the revised structure of GenASiSMathematics. The Algebra and Calculus divisions contain relatively simple stand-alone functionality for such tasks as root finding, interpolation, numerical integration, and the solution of ordinary differential equations. The major functionality currently provided in Mathematics, which focuses on the solution of selected classes of partial differential equations, is now collected in the CauchyProblems division.The structure of CauchyProblems is displayed in the right part of Fig. 1. The solution of partial differential equations presumes the existence of Manifolds (or ‘spaces’) and Fields thereon whose configuration we seek. The two basic types of Cauchy problems are boundary value problems, or Constraints; and initial value problems, or Evolutions.The structures of Manifolds, Fields, Constraints, and Evolutions are displayed in Fig. 2. Individual coordinate patches or Charts are combined into Atlases in order to represent Manifolds. As for Fields, the most basic functionality for a set of fields on a manifold (including I/O) is representedby classes in FieldSets. Specialized sets of fields needed for Cauchy problems are Geometries, including coarsening functionality to avoid Courant time step limitations near coordinate singularities; and CurrentSets, which represent ‘conserved’—or more properly, when source terms are present, ‘balanced’—currents, that is, densities and their corresponding fluxes. CalculusFields provides integrals of fields on manifolds, including volume and surface integrals used to tally conserved and balanced quantities, as well as spherical and azimuthal averaging. New to this version of Mathematics is the solution of PoissonEquations via multipole expansion, the first capability for Constraints or boundary value problems.The solution of balance equations is the type of initial value problem currently handled by Evolutions. As in Version 1, finite-volume discretization results in a large set of ordinary differential equations solved by the Runge-Kutta method. Now however, the right-hand sides, or Slopes, are handled by variations of a recursive class that allows the construction of hierarchies of terms. Thus complicated equations can be computed and included in I/O in pieces representing various terms, with results assembled in an extensible and quasi-automated fashion. For example, the partial derivatives, and geometric source terms from connection coefficients, can be computed and visualized separately, while being automatically combined to give the full divergence of an energy-momentum tensor. Third-order reconstruction (with limiting) to discretize cell interfaces is now included. Multi-stage Runge-Kutta Steps are then taken by Integrators in order to advance the solution of fields from their initial condition.Relative to Version 1 of Mathematics, the Manifolds and Fields classes are significantly reorganized and streamlined. Previously, classes for fields, geometry, and I/O were interleaved with those of charts and atlases. This provided for chart and atlas classes with self-contained geometry and I/O functionality, but in a manner that proved unwieldy and indeed unnecessary. This has now been disentangled: classes for fields, geometry and I/O are built entirely on top of full manifolds (i.e. classes for atlases).All computational kernels (except those specifically needed for checkpointing, that is, I/O) are coded for offloading to GPUs via OpenMP.Nature of problem: By way of illustrating GenASiSMathematics functionality, solve an example potential problem and imposed advection problems.Solution method: Multipole expansion for solution of the Poisson equation; finite-volume discretization; second- and third-order reconstruction with limiting; HLL Riemann Solver; Runge-Kutta integration.Additional comments including restrictions and unusual features: Uses the MPI [1] and Silo [2] libraries. The example problems named above are not ends in themselves, but serve to illustrate the functionality available though GenASiSMathematics. In addition to these more substantial examples, we provide individual unit test programs for the classes comprised by GenASiSMathematics.GenASiSMathematics is available in the CPC Program Library and also at https://github.com/GenASiS.

Management of Information Literacy Programmes in Selected Technical Training Institution Libraries in Nairobi County, Kenya

Technical Training Institution Libraries are facing the challenge of managing information literacy programs. Also, there are limited information literacy programmes in Technical Institution Libraries. This study, therefore, sought to determine the management of information literacy programmes in selected Technical Training Institution Libraries in Nairobi County. The objectives were to establish the implementation strategies of information literacy programmes in selected technical institutional libraries; to establish how frequent information literacy programmes are reviewed in selected technical institutional libraries; to determine the perceptions of the implemented information literacy programmes amongst users in selected technical institutional libraries; to identify the major challenges associated with the implementation of information literacy programmes in selected technical institutional libraries. This study adopted a descriptive survey design. A total of 333 respondents comprising 5 librarians, 190 teaching staff, and 138 students from five selected Technical Training Institutions constituted the subjects for this study. The study established that Technical Institution Libraries were implementing various forms of strategies for information literacy; information literacy programmes are reviewed after every orientation process using a feedback form; important skills are acquired by the library patrons during information literacy training, and librarians were facing several challenges as they implemented information literacy programmes.

TTDFT: A GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations

We present the Tucker tensor DFT (TTDFT) code which uses a tensor-structured algorithm with graphic processing unit (GPU) acceleration for conducting ground-state DFT calculations on large-scale systems. The Tucker tensor DFT algorithm uses a localized Tucker tensor basis computed from an additive separable approximation to the Kohn-Sham Hamiltonian. The discrete Kohn-Sham problem is solved using Chebyshev filtered subspace iteration method that relies on matrix-matrix multiplications of a sparse symmetric Hamiltonian matrix and a dense wavefunction matrix, expressed in the localized Tucker tensor basis. These matrix-matrix multiplication operations, which constitute the most computationally intensive step of the solution procedure, are GPU accelerated providing ∼8-fold GPU-CPU speedup for these operations on the largest systems studied. The computational performance of the TTDFT code is presented using benchmark studies on aluminum nano-particles and silicon quantum dots with system sizes ranging up to ∼7,000 atoms. Program summaryProgram Title: TTDFT: Tucker tensor density functional theory codeCPC Library link to program files:https://doi.org/10.17632/8dgmcs8ys2.1Licensing provisions: LGPLProgramming language: C/C++External routines/libraries: TuckerMPI (https://gitlab.com/tensors/TuckerMPI), cuBLAS (https://docs.nvidia.com/cuda/cublas/index.html), cuSparse (https://docs.nvidia.com/cuda/cusparse/index.html), ALGLIB (http://www.alglib.net/), Boost (https://www.boost.org/), BLAS (http://www.netlib.org/blas/), LAPACK (http://www.netlib.org/lapack/), PETSc (https://www.mcs.anl.gov/petsc), SLEPc (http://slepc.upv.es)Nature of problem: Real-space Kohn-Sham density functional theory calculations using localized Tucker tensor basis.Solution method: We present a real-space Kohn-Sham density functional theory code based on tensor-structured techniques with GPU acceleration. Tensor-structured techniques are adopted for computing a Tucker tensor basis, representing the eigenfunctions of an additive separable approximation to the Kohn-Sham Hamiltonian. The Tucker tensor basis is further localized using L1 regularization to improve the sparsity of the Kohn-Sham Hamiltonian matrix, and improve the computational efficiency and parallel scalability of the proposed algorithm. The solution to the Kohn-Sham problem in the localized Tucker tensor basis is computed using the Chebyshev filtered subspace iteration (ChFSI) method.Additional comments including restrictions and unusual features: The code works with Troullier-Martin (TM) pseudopotentials in Kleinman-Bylander form. The current release supports only non-periodic DFT calculations with the local density approximation (LDA) for exchange-correlation functional.This TTDFT project uses GitHub via Git, a free distributed version control software. The archived version at the time of submission of this work can be found on the CPC program library through program files DOI provided above. The GitHub repository of this project can be found on https://github.com/ttdftdev/ttdft_public.

Optimizing the role of the Cahaya Ilmu library in Selomirah Village, Ngablak, Magelang Regency

Social inclusion library is a National Library program that aims to improve the quality of human resources through literacy. This community service program aims to create a social inclusion library. The method used in this community service program goes through four stages, namely: observation, socialization, training, and mentoring. This community service activity received a positive response and was able to improve the knowledge and skills of librarians in realizing social inclusion-based libraries through various literacy improvement programs for the community.

2-(Fluoromethoxy)-4'-(S-methanesulfonimidoyl)-1,1'-biphenyl (UCM-1306), an Orally Bioavailable Positive Allosteric Modulator of the Human Dopamine D1 Receptor for Parkinson's Disease.

Tolerance development caused by dopamine replacement with l-DOPA and therapeutic drawbacks upon activation of dopaminergic receptors with orthosteric agonists reveal a significant unmet need for safe and effective treatment of Parkinson’s disease. In search for selective modulators of the D1 receptor, the screening of a chemical library and subsequent medicinal chemistry program around an identified hit resulted in new synthetic compound 26 [UCM-1306, 2-(fluoromethoxy)-4′-(S-methanesulfonimidoyl)-1,1′-biphenyl] that increases the dopamine maximal effect in a dose-dependent manner in human and mouse D1 receptors, is inactive in the absence of dopamine, modulates dopamine affinity for the receptor, exhibits subtype selectivity, and displays low binding competition with orthosteric ligands. The new allosteric modulator potentiates cocaine-induced locomotion and enhances l-DOPA recovery of decreased locomotor activity in reserpinized mice after oral administration. The behavior of compound 26 supports the interest of a positive allosteric modulator of the D1 receptor as a promising therapeutic approach for Parkinson’s disease.

Comparative analysis of the effectiveness of using fine-grained and nested parallelism to increase the speedup of parallel computing in multicore computer systems

The article presents a comparative analysis of the effectiveness of using parallelism of varying granularity degrees in modern multicore computer systems using the most popular programming languages and libraries (such as C#, Java, C++, and OpenMP). Based on the performed comparison, the possibilities of increasing the efficiency of computations in multicore computer systems by using combinations of medium- and fine-grained parallelism were also investigated. The results demonstrate the high potential efficiency of fine-grained parallelism when organizing intensive parallel computations. Based on these results, it can be argued that, in comparison with more traditional parallelization methods that use medium-grain parallelism, the use of separately fine-grained parallelism can reduce the computation time of a large mathematical problem by an average of 4%. The use of combined parallelism can reduce the computation time of such a problem to 5,5%. This reduction in execution time can be significant when performing very large computations.

Practical generic programming over a universe of native datatypes

Datatype-generic programming makes it possible to define a construction once and apply it to a large class of datatypes. It is often used to avoid code duplication in languages that encourage the definition of custom datatypes, in particular state-of-the-art dependently typed languages where one can have many variants of the same datatype with different type-level invariants. In addition to giving access to familiar programming constructions for free, datatype-generic programming in the dependently typed setting also allows for the construction of generic proofs. However, the current interfaces available for this purpose are needlessly hard to use or are limited in the range of datatypes they handle. In this paper, we describe the design of a library for safe and user-friendly datatype-generic programming in the Agda language. Generic constructions in our library are regular Agda functions over a broad universe of datatypes, yet they can be specialized to native Agda datatypes with a simple one-liner. Furthermore, we provide building blocks so that library designers can too define their own datatype-generic constructions.

GenASiSBasics: Object-oriented utilitarian functionality for large-scale physics simulations (Version 4)

GenASiSBasics: Object-oriented utilitarian functionality for large-scale physics simulations (Version 4)

VISROC 2.0: Updated Software for the Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses

The Receiver Operating Characteristics (ROC) method is used to evaluate the diagnostic accuracy of binary quantitative tests in a broad spectrum of disciplines, including medicine, physics of complex systems, geophysics, meteorology, etc. The estimation of the significance of the examined prediction method is of high importance and it's usually approximated by Monte Carlo calculations. To simplify this problem, a FORTRAN code called VISROC was submitted to the CPC Program Library in 2014. VISROC evaluates the significance of binary diagnostic and prognostic tools for a family of k-ellipses which are based on confidence ellipses and cover the whole ROC space. Since that time, the code has been significantly improved and several new capabilities have been added. Most importantly, a Graphical User Interface (GUI) has been implemented, which can be invoked using either the R shiny web application or the Python application available for Windows, Mac, and Linux operating systems, both of which are described here. New version program summaryProgram Title: VISROC 2.0CPC Library link to program files:https://doi.org/10.17632/dktybrydvf.1Licensing provisions: AGPLv3Programming language: R and PythonJournal reference of previous version: N.V. Sarlis, S.-R. G. Christopoulos, Comput. Phys. Commun. 185 (2014) 1172.Does the new version supersede the previous version?: YesReasons for the new version: Overcome previous version's limitations and implement GUI.Summary of revisions: R and Python applications, GUI, ability to input files containing ROC data.Nature of problem: The Receiver Operating Characteristics (ROC) [1] is a method used to evaluate the diagnostic ability of binary tests and prediction methods in a broad spectrum of disciplines. Apart from the sensitivity (or True Positive rate, TPr) and specificity (which is complementary to False Positive rate, FPr, i.e., specificity=1-FPr) measures, the estimation of the statistical significance of the examined method is of high importance. VISROC evaluates the significance of binary diagnostic and prognostic tools for a family of k-ellipses which are based on confidence ellipses and cover the whole ROC space.Solution method: Using the statistics of random binary predictions for a given value of the predictor threshold ϵt, one can construct the corresponding confidence ellipses. The envelope of these confidence ellipses is estimated by varying ϵt in the interval [0,1] and one obtains a new family of ellipses, called k-ellipses [2]. They cover the whole ROC space and lead to a well defined Area Under the Curve (AUC). Mason and Graham [3] have shown that AUC follows the Mann-Whitney U-statistics [4] which can be used [5] to estimate the statistical significance of each k-ellipse. As the transformation is invertible, any point on the ROC plane corresponds to a unique value of k, hence it belongs to a unique k-ellipse that allows the estimation of the probability (p-value) to obtain this point by chance. The present GUI applications provide the p-value on the ROC plane as well as the k-ellipses corresponding to the (p=)10%, 5% and 1% significance levels using as input the number of the positive (P) and negative (Q) cases to be predicted.

The discourse of drag queen story time challengers and supporters

Drag Queen Story Time (DQST) is a public library program where drag queens lead a story time for children and families. Although this program is meant to celebrate diversity, the program can also invite an onslaught of political warfare against gender and sexuality nonconformity and intellectual freedom. This study analyzes the arguments of DQST challengers and supporters to better understand the motivations behind both negative and positive responses to this polarizing program. The study examines 406 publicly available letters written by community members, professionals, and vested organizations expressing opposition or support for a DQST that was hosted in a large library system in Canada, the Okanagan Regional Library (ORL) in 2019.

Meeting a Need: Piloting a Mentoring Program for History Librarians

Mentoring is a mainstay of librarianship. Professional organizations can offer specific guidance for librarians through mentoring programs. This article describes the development and assessment of a mentoring program for history librarians by the Academic Librarians Committee of the Reference & Users Services Association’s History Section. The study examines the findings from a survey of participants. Respondents indicated overall that the program was beneficial. Mentors and mentees who interacted through web conferencing tended to report higher satisfaction. The responses suggest improved practices for future iterations of this program, including evaluating the process for pairing mentoring matches, creating an onboarding process, providing more structure for communication, and considering the potential of peer mentoring. These findings could be applied to other mentoring programs for librarians.

Beyond Good Intentions: Developing and Operationalizing Values in the Structure of Digital Library Programs

Defining values for an organizational unit has become a standard practice for creating and supporting successful teams across sectors in business, government, and nonprofits. Given the centrality of professional values for librarians and archivists, this practice is particularly salient for work in library and archives organizations. At the same time, implicit values in technology sector organizations have been widely criticized for leading to staff burnout and contributing to increased precarity and harm to employees. This presents a significant challenge for digital library organizations that often straddle aspects of start-up and information technology organizational culture and library and archives culture. This case study presents the development of a set of values for the newly created Digital Content Management (DCM) section at the Library of Congress. The authors provide general context and background on this effort, then describe the approach to collaboratively developing shared values and the resulting work to refine how those values are operationalized in ongoing work activities and processes. This case study also aims to provide useful information to others working in digital library programs to support this same kind of reflective praxis.

Laura Bush 21st Century Librarian Program (ILMS)

Federal Grants & ContractsVolume 46, Issue 17 p. 2-2 Grant Alerts Laura Bush 21st Century Librarian Program (ILMS) First published: 02 August 2022 https://doi.org/10.1002/fgc.32505Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat No abstract is available for this article. Volume46, Issue174 August 2022Pages 2-2 RelatedInformation

LIBKDV

Kernel density visualization (KDV) has been widely used in many geospatial analysis tasks, including traffic accident hotspot detection, crime hotspot detection, and disease outbreak detection. Although KDV can be supported by many scientific, geographical, and visualization software tools, none of these tools can support high-resolution KDV with large-scale datasets. Therefore, we develop the first versatile programming library, called LIBKDV, based on the set of our complexity-optimized algorithms. Given the high efficiency of these algorithms, LIBKDV not only accelerates the KDV computation but also enriches KDV-based geospatial analytics, including bandwidth-tuning analysis and spatiotemporal analysis, which cannot be natively and feasibly supported by existing software tools. In this demonstration, participants will be invited to use our programming library to explore interesting hotspot patterns on large-scale traffic accident, crime, and COVID-19 datasets.

Senior Citizens and Digital Information Access: The Obstruction of Comforting Silence

This study investigates the possibility of undetected access obstructions preventing senior citizens from using digital information maintained by Alabama public libraries. Research methods include a literature review, a survey of Alabama public library administrators, and a textual analysis of online public library programming guides from four urban areas within the state. The survey gauges the perceptions, experiences, and actions of library administrators pertaining to digital library accessibility for senior citizens. The textual analysis component measures significant outreach efforts by public libraries targeting senior citizen patrons. Data collected suggest that Alabama public libraries lack unity and direction in their approach to digital technology training for elderly citizens, and this lack of effective outreach is contributing to a dysfunctional communicative relationship. This dysfunction is identified as a comforting silence, a communicative void in which inaction and indifference work covertly (and often unintentionally) to restrict digital accessibility for Alabama’s senior citizens.

Atensi Kepala Sekolah terhadap Perpustakaan sebagai Pusat Sumber Belajar

The principal as a leader must be responsible for everything in the school. Starting from the problems of educators, students, the teaching and learning process, the quality of education in schools to the existing facilities and infrastructure in schools including libraries. The principal must give full attention to the school library so that the organization can provide maximum benefits to help achieve educational goals in schools. The urgency of the existence and empowerment of school libraries must be fully realized by the principal so that the library is not only a supporting unit in schools but can be a center of learning resources for all school residents. The principal's attention to the library can be done by always providing motivation, advice, guidance, appreciation, supervision and fulfillment of all library resource needs. The principal must seek a budget for the procurement of various library materials, infrastructure, human resources and programs or activities in the school library. The principal can also establish good coordination and cooperation with various parties such as school committees, teachers, parents, education staff, students, residents around the school and even the business world. To be able to achieve this, the attention given by the principal to the library must be based on a high and sustainable commitment and sense of responsibility.

Impact of age, sex and surgery type on engagement with an online patient education and support platform developed for total hip and knee replacement patients.

Patients should be active participants in the management of their condition and provided with appropriate information throughout their care pathway. We piloted an online digital platform (ODP) to deliver patient education and support (PES) for patients undergoing total hip (THR) and knee replacements (TKR). The aim of this study is to analyse the demographics of patients using the ODP, determine how and when they accessed the ODP and how different sexes and age groups interacted with the ODP. Demographics and program library logs for patients registered to the ODP between 21st September 2017 and 28th May 2020 was obtained. Associations between age, sex, type of surgery and engagement were assessed using statistical comparisons. 1195 patients were registered on the ODP of which 832 (69.6%) accessed their carepacs. Patients accessed the content within their carepacs a mean of 29.1 times, spending a mean total time of 83 minutes. There was greater engagement for patients with a THR carepac (75.5%) compared to TKR (63.8%) (p<0.001). There were no differences in the proportion of patients that accessed the ODP or the total time spent on the platform dependent upon age (p = 0.34). Females accessed the platform more than males (p = 0.03). The use of a computer to access the ODP increased as age increased, whereas the use of a phone was favoured by the younger age groups (p<0.001). An ODP providing information to patients regarding their surgery is effective and demonstrates high levels of patient engagement. An online resource such as this does not discriminate against age or sex in terms of accessibility and can be useful for information provision.

The lived experience of Australian public library staff during the COVID-19 library closures

PurposeThe purpose of this paper is to explore the lived experiences of Australian public library staff during the COVID-19 library closures. The study examines the effect of mandated physical library closures on staff well-being, along with the challenges they faced as library operations moved to a remotely delivered model. The paper includes an examination of staff perceptions of their library's value in the lives of their users.Design/methodology/approachSemi-structured interviews were undertaken with 15 Australian library staff from three library networks. A process of inductive coding resulted in a thematic description of the participants' experiences of continuing to work during a period of where their libraries were closed due to COVID-19 restrictions.FindingsAustralian public library workers experienced many challenges that affected their well-being during the period of library closures. These included challenges relating to moving library programming to a virtual delivery model, managing significant change in their work lives, managing the emotions of self and others, and concern for the well-being of library users. Positive outcomes relating to skill development and innovative thinking were also reported.Originality/valueThe operational responses to the COVID-19 library closures in Australia and elsewhere have been well reported. This paper takes a different approach by examining the emotional and well-being outcomes for public library staff during these periods of closure.

Recent developments in theory and tool support for hybrid systems verification with HyPro

Over the last decades, the development of algorithms and tools for the safety verification of hybrid systems has been content of intensive research. Numerous novel ideas have been presented and implemented in different tools. Whereas the majority of these tools offer fixed implementations, only few general libraries have been provided for the development of new verification tools.HyPro is such an example, providing a C++ programming library for the implementation of certain types of reachability analysis algorithms for linear hybrid systems. These algorithms, based on flowpipe construction, need geometric or symbolic representation for state sets of hybrid systems. HyPro offers datatypes for different representations, conversions between them, and efficient algorithms based on these datatypes.Since its release in 2017, HyPro's functionalities have been extended by several implementations. In this paper we give a general introduction to flowpipe-construction-based methods and report on HyPro's functional advances as well as on applications of the library.

GOAT: a multipurpose optical simulation tool

Many solutions exist for optical simulations. Many of them are isolated solutions, are complex to use due to their wide range of applications, or are difficult to adapt to new problems. Therefore, there is a need for easy-to-use, flexibly adaptable program packages. For this reason, we present here a programming library for the simulation of optical problems, which is based on geometrical optics due to its high flexibility. Special attention was paid to a flexible adaptability to different problems and an easy usability. The program package is freely available as an open-source project implemented in C++ and can be downloaded from the GitHub platform (Weigel, GitHub, 2021).