• Title/Summary/Keyword: Parallel Integration

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Molecular Dynamics Free Energy Simulation Study to Rationalize the Relative Activities of PPAR δ Agonists

  • Lee, Woo-Jin;Park, Hwang-Seo;Lee, Sangyoub
    • Bulletin of the Korean Chemical Society
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    • v.29 no.2
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    • pp.363-371
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    • 2008
  • As a computational method for the discovery of the effective agonists for PPARd, we address the usefulness of molecular dynamics free energy (MDFE) simulation with explicit solvent in terms of the accuracy and the computing cost. For this purpose, we establish an efficient computational protocol of thermodynamic integration (TI) that is superior to free energy perturbation (FEP) method in parallel computing environment. Using this protocol, the relative binding affinities of GW501516 and its derivatives for PPARd are calculated. The accuracy of our protocol was evaluated in two steps. First, we devise a thermodynamic cycle to calculate the absolute and relative hydration free energies of test molecules. This allows a self-consistent check for the accuracy of the calculation protocol. Second, the calculated relative binding affinities of the selected ligands are compared with experimental IC50 values. The average deviation of the calculated binding free energies from the experimental results amounts at the most to 1 kcal/mol. The computational efficiency of current protocol is also assessed by comparing its execution times with those of the sequential version of the TI protocol. The results show that the calculation can be accelerated by 4 times when compared to the sequential run. Based on the calculations with the parallel computational protocol, a new potential agonist of GW501516 derivative is proposed.

New GPU computing algorithm for wind load uncertainty analysis on high-rise systems

  • Wei, Cui;Luca, Caracoglia
    • Wind and Structures
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    • v.21 no.5
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    • pp.461-487
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    • 2015
  • In recent years, the Graphics Processing Unit (GPU) has become a competitive computing technology in comparison with the standard Central Processing Unit (CPU) technology due to reduced unit cost, energy and computing time. This paper describes the derivation and implementation of GPU-based algorithms for the analysis of wind loading uncertainty on high-rise systems, in line with the research field of probability-based wind engineering. The study begins by presenting an application of the GPU technology to basic linear algebra problems to demonstrate advantages and limitations. Subsequently, Monte-Carlo integration and synthetic generation of wind turbulence are examined. Finally, the GPU architecture is used for the dynamic analysis of three high-rise structural systems under uncertain wind loads. In the first example the fragility analysis of a single degree-of-freedom structure is illustrated. Since fragility analysis employs sampling-based Monte Carlo simulation, it is feasible to distribute the evaluation of different random parameters among different GPU threads and to compute the results in parallel. In the second case the fragility analysis is carried out on a continuum structure, i.e., a tall building, in which double integration is required to evaluate the generalized turbulent wind load and the dynamic response in the frequency domain. The third example examines the computation of the generalized coupled wind load and response on a tall building in both along-wind and cross-wind directions. It is concluded that the GPU can perform computational tasks on average 10 times faster than the CPU.

Computational strategies for improving efficiency in rigid-plastic finite element analysis (강소성 유한요소해석의 안정화와 고능률화에 관한 연구)

  • ;;Yoshihiro, Tomita
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.13 no.3
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    • pp.317-322
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    • 1989
  • Effective computational strategies have been proposed in the evaluation of stiffness matrices of rigid-plastic finite element method widely used in simulation of metal forming processes. The stiffness matrices are expressed as the sum of stiffness matrices evaluated by reduced integration and Liu's stabilization matrices which control the occurrence os zero-energy mode due to excessive reduced integration. The proposed method has been applied to the solution of fundamental 3-dimensional problems. The results clarified that the deformed mesh configuration was remarkably stabilized and computation speed attained about 3 times as fast as that of conventional 3-dimensional analyses. Furthermore, computation speed increases by a factor 60 when parallel computation is introduced. This speed has a tendency to increase as the total degree of freedom increases. As a result, this rigid-plastic finite element method enables us to analyze real 3-dimensional forming processes with practically acceptable computation time.

Formulation, solution and CTL software for coupled thermomechanics systems

  • Niekamp, R.;Ibrahimbegovic, A.;Matthies, H.G.
    • Coupled systems mechanics
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    • v.3 no.1
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    • pp.1-25
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    • 2014
  • In this work, we present the theoretical formulation, operator split solution procedure and partitioned software development for the coupled thermomechanical systems. We consider the general case with nonlinear evolution for each sub-system (either mechanical or thermal) with dedicated time integration scheme for each sub-system. We provide the condition that guarantees the stability of such an operator split solution procedure for fully nonlinear evolution of coupled thermomechanical system. We show that the proposed solution procedure can accommodate different evolution time-scale for different sub-systems, and allow for different time steps for the corresponding integration scheme. We also show that such an approach is perfectly suitable for parallel computations. Several numerical simulations are presented in order to illustrate very satisfying performance of the proposed solution procedure and confirm the theoretical speed-up of parallel computations, which follow from the adequate choice of the time step for each sub-problem. This work confirms that one can make the most appropriate selection of the time step with respect to the characteristic time-scale, carry out the separate computations for each sub-system, and then enforce the coupling to preserve the stability of the operator split computations. The software development strategy of direct linking the (existing) codes for each sub-system via Component Template Library (CTL) is shown to be perfectly suitable for the proposed approach.

3-D Hetero-Integration Technologies for Multifunctional Convergence Systems

  • Lee, Kang-Wook
    • Journal of the Microelectronics and Packaging Society
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    • v.22 no.2
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    • pp.11-19
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    • 2015
  • Since CMOS device scaling has stalled, three-dimensional (3-D) integration allows extending Moore's law to ever high density, higher functionality, higher performance, and more diversed materials and devices to be integrated with lower cost. 3-D integration has many benefits such as increased multi-functionality, increased performance, increased data bandwidth, reduced power, small form factor, reduced packaging volume, because it vertically stacks multiple materials, technologies, and functional components such as processor, memory, sensors, logic, analog, and power ICs into one stacked chip. Anticipated applications start with memory, handheld devices, and high-performance computers and especially extend to multifunctional convengence systems such as cloud networking for internet of things, exascale computing for big data server, electrical vehicle system for future automotive, radioactivity safety system, energy harvesting system and, wireless implantable medical system by flexible heterogeneous integrations involving CMOS, MEMS, sensors and photonic circuits. However, heterogeneous integration of different functional devices has many technical challenges owing to various types of size, thickness, and substrate of different functional devices, because they were fabricated by different technologies. This paper describes new 3-D heterogeneous integration technologies of chip self-assembling stacking and 3-D heterogeneous opto-electronics integration, backside TSV fabrication developed by Tohoku University for multifunctional convergence systems. The paper introduce a high speed sensing, highly parallel processing image sensor system comprising a 3-D stacked image sensor with extremely fast signal sensing and processing speed and a 3-D stacked microprocessor with a self-test and self-repair function for autonomous driving assist fabricated by 3-D heterogeneous integration technologies.

Area-Efficient Semi-Parallel Encoding Structure for Long Polar Codes (긴 극 부호를 위한 저 면적 부분 병렬 극 부호 부호기 설계)

  • Shin, Yerin;Choi, Soyeon;Yoo, Hoyoung
    • Journal of IKEEE
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    • v.23 no.4
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    • pp.1288-1294
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    • 2019
  • The channel-achieving property made the polar code show to advantage as an error-correcting code. However, sufficient error-correction performance shows the asymptotic property that is achieved when the length of the code is long. Therefore, efficient architecture is needed to realize the implementation of very-large-scale integration for the case of long input data. Although the most basic fully parallel encoder is intuitive and easy to implement, it is not suitable for long polar codes because of the high hardware complexity. Complementing this, a partially parallel encoder was proposed which has an excellent result in terms of hardware area. Nevertheless, this method has not been completely generalized and has the disadvantage that different architectures appear depending on the hardware designer. In this paper, we propose a hardware design scheme that applies the proposed systematic approach which is optimized for bit-dimension permutations. By applying this solution, it is possible to design a generalized partially parallel encoder for long polar codes with the same intuitive architecture as a fully parallel encoder.

A Study on the Proposal of an Integration Model for Library Collaboration Instruction (도서관협력수업의 통합모형 제안에 관한 연구)

  • Byeong-Kee Lee
    • Journal of the Korean Society for Library and Information Science
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    • v.57 no.4
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    • pp.25-47
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    • 2023
  • Library collaboration instruction (LCI) is a process in which a classroom teacher and librarian collaborate to co-planning, co-implementation, co-assessment instruction. LCI is being studied and modeled in various dimensions such as the level of collaboration, information activities, and time scheduling. However, there is no integrated model that comprehensively covers teacher and librarian collaboration. The purpose of this study is to propose a schematic integration model for LCI by comparing and analyzing various models in five dimensions (level of collaboration, information activities, collaborative approach, time scheduling, and technological integration). The main results of the integration model for LCI reflected in this study are as follows. First, in terms of the level of collaboration, TLC integration model reflected such as library-based teacher-led instruction, cross-curricular integrated curriculum. Second, in terms of information activities, LCI integration model reflected social and science subjects inquiry activities in addition to the information use process. Third, in terms of collaborative approach, LCI integration model is divided into such as lead-observation instruction and parallel station instruction. Fourth, in terms of time management, LCI integration model took into account the Korean national curriculum and scheduling methods. Fifth, in terms of technology integration, LCI integration model reflected the PICRAT model, modified from the perspective of library collaboration instruction.

Uncertainty Analysis for the Multi-path Ultrasonic Flowmeter UR- 1000 with Dry Calibration (간접 교정에 의한 다회선 초음파유량계 UR-1000 불확도 분석)

  • Hwang, Shang-Yoon;Park, Sung-Ha;Park, Kyung-Am
    • 유체기계공업학회:학술대회논문집
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    • 2002.12a
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    • pp.378-386
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    • 2002
  • Multi-path ultrasonic Sow measurement system uncertainty is determined by assigning an expected error of each component of flow measurement and then defining the total flow measurement uncertainty as square root of the sum of squared values of the individual error. Sources of uncertainty for flow measurement are geometry, transit time and velocity profile integration uncertainty. A theoretical uncertainty model for multi-path ultrasonic transit time flowmeter configured with parallel 5 chords, is derived from and calculated by dry calibration method.

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The Technology Innovation System for Complex System Product Development of Public Research Institutes (공공연구기관에서의 복합제품개발을 위한 기술혁신시스템)

  • 조황희
    • Journal of Korea Technology Innovation Society
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    • v.1 no.3
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    • pp.313-325
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    • 1998
  • Government-Supported Research Institutes(GSRI) have done complex product(CP) development with national needs. The products to be developed have very limited demand. The most important things at CP development are technology innovation through knowledge creation and acquisition. Then, this paper suggests the technology innovation system for CP development. In CP development like satellite, government must do strategic management at national level and technology management at program level. Two managements are tools to achieve the strategic goals. The key points in CP are integration and interface among subsystems and person. From these factors and innovation system, R&D planning and practice are based on sharing and creation of knowledge. CP development projects ought to overlap and parallel for sustainable acquisition and creation of knowledge.

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BoxBroker: A Policy-Driven Framework for Optimizing Storage Service Federation

  • Heinsen, Rene;Lopez, Cindy;Huh, Eui-Nam
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.12 no.1
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    • pp.340-367
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    • 2018
  • Storage services integration can be done for achieving high availability, improving data access performance and scalability while preventing vendor lock-in. However, multiple services environment management and interoperability have become a critical issue as a result of service architectures and communication interfaces heterogeneity. Storage federation model provides the integration of multiple heterogeneous and self-sufficient storage systems with a single control point and automated decision making about data distribution. In order to integrate diverse heterogeneous storage services into a single storage pool, we are proposing a storage service federation framework named BoxBroker. Moreover, an automated decision model based on a policy-driven data distribution algorithm and a service evaluation method is proposed enabling BoxBroker to make optimal decisions. Finally, a demonstration of our proposal capabilities is presented and discussed.