1,720,983 research outputs found
COUNTDOWN: A Run-Time Library for Performance-Neutral Energy Saving in MPI Applications
Full text linkPower and energy consumption are becoming key challenges for the supercomputers' exascale race. HPC systems' processors waist active power during communication and synchronization among the MPI processes in large-scale HPC applications. However, due to the time scale at which communication happens, transitioning into low-power states while waiting for the completion of each communication may introduce unacceptable overhead. In this article, we present COUNTDOWN, a run-time library for identifying and automatically reducing the power consumption of the CPUs during communication and synchronization. COUNTDOWN saves energy without penalizing the time-to-completion by lowering CPUs power consumption only during idle times for which power state transition overhead is negligible. This is done transparently to the user, without requiring labor-intensive and error-prone application code modifications, nor requiring recompilation of the application. We test our methodology on a production Tier-1 system. For the NAS benchmarks, COUNTDOWN saves between 6 and 50 percent energy, with a time-to-solution penalty lower than 5 percent. In a complete production - Quantum ESPRESSO - for a 3.5K cores run, COUNTDOWN saves 22.36 percent energy, with a performance penalty below 3 percent. Energy saving increases to 37 percent with a performance penalty of 6.38 percent, if the application is executed without communication tuning
UNDI: An open-source library to simulate muon-nuclear interactions in solids
Full text linkWe present UNDI, an open-source program to analyze the time dependent spin polarization of an isolated muon interacting with the surrounding nuclear magnetic dipoles in the context of standard muon spin rotation and relaxation spectroscopy experiments. The code can perform both exact and approximated estimates of the muon polarization function in presence of external fields and electric field gradients on the nuclei surrounding the muon. We show that this tool, combined to ab initio estimations of the electric field gradient at the nuclei interacting with the muon, can become a valuable complement to supercell based identifications of muon sites in crystals when large nuclear magnetic moments are present in the sample. In addition, it allows to properly investigate physical properties influenced by the presence of a non-negligible electric field gradient such as avoided level crossing resonance, nature of the ground state, disentanglement of electronic and nuclear magnetic moments or charge ordered states. The efficiency and effectiveness of this method is shown along the lines of three realistic examples. Program summary: Program Title: UNDI CPC Library link to program files: http://dx.doi.org/10.17632/grp8njy6gz.1 Developer's repository link: https://github.com/bonfus/undi Code Ocean capsule: https://codeocean.com/capsule/8365303 Licensing provisions: GPLv3 Programming language: Python Nature of problem: To simplify and potentially automate the analysis of the nuclear contribution to muon polarization functions in crystalline materials. Solution method: A python library that provides a set of tools to efficiently solve the spin Hamiltonian describing the interaction between the muon and its neighboring nuclei. The code provides the time development of the spin polarization of the muon subject to external fields and accounts for quadrupolar interactions at the nuclear sites. The solution is sought at quantum level accuracy and Hilbert spaces with dimension up to one million can be handled, thus providing accurate results for all standard experimental conditions
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Prediction of time-to-solution in material science simulations using deep learning
No full textPredicting the time to solution for massively parallel scientific codes is a complex task. The reason for this is the presence of multiple, strongly interconnected algorithms that possibly react differently to the changes in compute power, vectorization length, memory and network bandwidth and latency and I/O throughput. A reliable prediction of execution time is however of great importance to the user who wants to plan on large scale simulations or virtual screening procedures characteristic of high throughput computing. In this article we present a practical approach based on machine learning techniques to achieve very accurate predictions of the time to solution for a DFT-based material science code. We compare our results with the predictions provided by a parametrized analytical performance model showing that deep learning solutions allow for a greater accuracy without the need of domain knowledge to introduce an explicit description of the algorithms implemented in the code
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Full text linkWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
Frustrated network of indirect exchange paths between tetrahedrally coordinated Co in Ba2 CoO4
Full text linkWe present a detailed study of the electronic and magnetic interactions of Ba2CoO4, structurally very uncommon because of the isolated CoO4 distorted tetrahedral coordination. We show the presence of Co(d)-O(p) hybridized states characterized by spin polarized oxygen atoms, with their magnetic moments parallel to that on Co. The calculated isotropic exchange interaction parameters, which include the contributions from ligand spins, demonstrate the presence of a three-dimensional (3D) network of magnetic couplings that are partially frustrated in the identified magnetic ground state. Our results indicate that the dominant indirect exchange mechanism responsible for this ground state is mediated by O atoms along the Co-O »O-Co path
Magnetic phase diagram of the austenitic Mn-rich Ni-Mn-(In, Sn) Heusler alloys
No full textHeusler compounds have been intensively studied owing to the important technological advancements that they provide in the fields of shape memory, thermomagnetic energy conversion and spintronics. Many of their intriguing properties are ultimately governed by their magnetic states and understanding and possibly tuning them is evidently of utmost importance. In this work we examine the Ni1.92Mn1.44(SnxIn1-x)0.64 alloys with density functional theory simulations and 55Mn nuclear magnetic resonance and combine these two methods to carefully describe their ground state magnetic order. In addition, we compare the results obtained with the conventional generalized gradient approximation with the ones collected using the strongly constrained and appropriately normed (SCAN) semilocal functional for exchange and correlation. Experimental results eventually allow to discriminate between two different scenarios identified by ab initio simulations
Dispelling the Myths Behind First-author Citation Counts
Full text linkWe conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued
use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation
counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more
sophisticated methods
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