Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

With the proliferation and ubiquity of information and communication technologies (ICTs), it is becoming imperative for individuals to constantly engage with these technologies in order to get work accomplished. Academic literature, popular press, and anecdotal evidence suggest that ICTs are responsible for increased stress levels in individuals (known as technostress). However, despite the influence of stress on health costs and productivity, it is not very clear which characteristics of ICTs create stress. We draw from IS and stress research to build and test a model of technostress. The person-environment fit model is used as a theoretical lens. The research model proposes that certain technology characteristics--like usability (usefulness, complexity, and reliability), intrusiveness (presenteeism, anonymity), and dynamism (pace of change)--are related to stressors (work overload, role ambiguity, invasion of privacy, work-home conflict, and job insecurity). Field data from 661 working professionals was obtained and analyzed. The results clearly suggest the prevalence of technostress and the hypotheses from the model are generally supported. Work overload and role ambiguity are found to be the two most dominant stressors, whereas intrusive technology characteristics are found to be the dominant predictors of stressors. The results open up new avenues for research by highlighting the incidence of technostress in organizations and possible interventions to alleviate it.

Technostress: technological antecedents and implications

Purpose: This paper investigates the way in which blockchain technology is likely to influence future supply chain practices and policies. Design/methodology/approach: A systematic review of both academic and practitioner literature was conducted. Multiple accounts of blockchain adoption within industry were also consulted to gain further insight. Findings: While blockchain technologies remain in their infancy, they are gaining momentum within supply chains, trust being the predominant factor driving their adoption. The value of such technologies for supply chain management lies in four areas: extended visibility and traceability, supply chain digitalisation and disintermediation, improved data security and smart contracts. Several challenges and gaps in understanding and opportunities for further research are identified by our research. How a blockchain enabled supply chain should be configured has also been explored from a design perspective. Research limitations/implications: Our systematic review focuses on the diffusion of blockchain technology within supply chains and great care was taken in selecting search terms. However, we acknowledge that our choice of terms may have excluded certain blockchain articles from this review. Practical implications: This paper offers valuable insight for supply-chain practitioners into how blockchain technology has the potential to disrupt existing supply chain provisions as well as a number of challenges to its successful diffusion. Originality/value: Ours is one of the first studies to examine the current state of blockchain diffusion within supply chains. It lays a firm foundation for future research. Keywords: blockchain, distributed ledger technology, supply chain management, peer-to-peer communication, systematic literature review

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Understanding blockchain technology for future supply chains: a systematic literature review and research agenda

Organizational use of information and communications technologies (ICT) is increasingly resulting in negative cognitions in individuals, such as information overload and interruptions. Recent literature has encapsulated these cognitions in the concept of technostress, which is stress caused by an inability to cope with the demands of organizational computer usage. Given the critical role of the user in organizational information processing and accomplishing application-enabled workflows, understanding how these cognitions affect users' satisfaction with ICT and their performance in ICT-mediated tasks is an important step in appropriating benefits from current computing environments. The objective of this paper is to (1) understand the negative effects of technostress on the extent to which end users perceive the applications they use to be satisfactory and can utilize them to improve their performance at work and (2) identify mechanisms that can mitigate these effects. Specifically, we draw from the end-user computing and technostress literature to develop and validate a model that analyzes the effects of factors that create technostress on the individual's satisfaction with, and task performance using, ICT. The model also examines how user involvement in ICT development and support mechanisms for innovation can be used to weaken technostress-creating factors and their outcomes. The results, based on survey data analysis from 233 ICT users from two organizations, show that factors that create technostress reduce the satisfaction of individuals with the ICT they use and the extent to which they can utilize ICT for productivity and innovation in their tasks. Mechanisms that facilitate involvement of users, and encourage them to take risks, learn, explore new ideas, and experiment in the context of ICT use, diminish the factors that create technostress and increase satisfaction with the ICT they use. These mechanisms also have a positive effect on users' appropriation of ICT for productivity and innovation in their tasks. The paper contributes to emerging literature on negative outcomes of ICT use by (1) highlighting the influence of technostress on users' satisfaction and performance (i.e., productivity and innovation in ICT-mediated tasks) with ICT, (2) extending the literature on technostress, which has so far looked largely at the general behavioral and psychological domains, to include the domain of end-user computing, and (3) demonstrating the importance of user involvement and innovation support mechanisms in reducing technostress-creating conditions and their ICT use-related outcomes.

Impact of Technostress on End-User Satisfaction and Performance

Foundations of Economic Analysis

A large body of research has considered the positive aspects of information technology (IT) use. However, emerging research and practice commentary is beginning to focus on complex and often alarming ways in which use of IT affects organisational and social life. This Special Issue focuses on these 'dark' effects of IT use. © 2013 Wiley Publishing Ltd.

The dark side of information technology use

IT misuse behaviors. Interview/qualitative data were analyzed using qualitative content analysis. Multivariate statistical techniques to analyze the statistical data included confirmatory factor analysis to develop and validate the measurement scales for various constructs and structural equation modeling to analyze relationships among them. After observing a number of organizations, the researchers found that this rapidly emerging dark side of IT hurts employees and their organizations and robs companies of some of the productivity gains they expect from their IT investments. This article describes key negative effects of IT use in the workplace, explains the risks they pose, and suggests ways managers can mitigate their impact. Taking on the dark side of IT requires a three-pronged approach that involves not only a company's IT leaders but also its senior executives and HR leaders

The dark side of information technology

Despite the growing research interest in the digitization of healthcare, current understanding of barriers to using health IT is mostly centered on providers. There is a lack of understanding of how to get patients involved in managing their own digital health information using standalone Personal Health Record Systems (PHR). To fill this research gap, this study proposes a trust-enabled fair social contract model to theorize and empirically test how individuals' intention to use standalone PHR is driven by a trust-enabled privacy calculus, buttressed by the level of perceived privacy control over their own health information and trust. The perceived benefits of using a standalone PHR, perceived privacy control and trust were found to be the major factors determining intention to adopt the PHR, overriding the effect of potential privacy risks of PHR. In addition, the results of the study suggest that the effect of perceived privacy control varies based on one's prior experience of falling victim to privacy invasions.

Examining the decision to use standalone personal health record systems as a trust-enabled fair social contract

Instant messenger technologies have become a common place for collaborative work and group decision support. Managers need to understand the potential impact of using IM in an organization. This paper contributes to the literature on instant messaging and primary task performance by theorizing and empirically testing how the interruption frequency of IM could intertwine with the social characteristics of IM communication and jointly influence user task performance and perceived workload. Using experimental design, we found that the effect of interruption on primary task completion time is dependent upon the hierarchical level of the message sender. Interruptions from a supervisor were found to reduce primary task completion time whereas interruptions from a peer increased primary task completion time. On the other hand, interruptions from a supervisor aggravated the negative impact of interruptions on task quality. Thus, it may be important for members and leaders of group decision teams to be more careful in the use of instant messaging with their peers and subordinates.

Should I send this message? Understanding the impact of interruptions, social hierarchy and perceived task complexity on user performance and perceived workload

The objective of this panel is to advance knowledge in areas related to the “dark” side of IT use in organizations. Emerging and as yet nascent academic research is beginning to focus on negative impacts of IT use. The panel seeks to (1) introduce a new area of exploration and (2) disseminate new points of view. The panelists will do so by drawing upon their research and practice related insights in five areas that characterize the dark side of IT use, namely - IT usage related stress, addiction, misuse, work overload, and interruptions. These are clearly important areas to examine, given that the ubiquitous and functionally pervasive nature of IT use in organizations is expected to expose users to ever greater levels of conditions that are potent for experiencing this dark side. The proposed panel is thus of relevance and interest to the IS research and practice communities.

https://aisel.aisnet.org/cgi/viewcontent.cgi?article=1316&context=amcis2012

Ashish Gupta

Papers

The dark side of information technology use

The dark side of information technology

Examining the decision to use standalone personal health record systems as a trust-enabled fair social contract

Should I send this message? Understanding the impact of interruptions, social hierarchy and perceived task complexity on user performance and perceived workload

The digital future: reflecting on the “dark side” of information technology use