• 제목/요약/키워드: Parallel Integration

검색결과 159건 처리시간 0.037초

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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    • 제29권2호
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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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    • 제21권5호
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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.

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

  • 추만석;김영석
    • 대한기계학회논문집
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    • 제13권3호
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    • pp.317-322
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    • 1989
  • 본 연구에서는 Liu의 매트릭스를 강소성 유한요소법에 도입하여 통상의 소성가공 공정중에 있는 피가공물의 3차원 변형을 실용적인 수준에서 해석 가능케 하는 강소성 유한요소법을 도입하여 통상의 소성가공 공정중에 있는 피가공물의 3차원 변형을 실용적인 수준에서 해석 가능케 하는 강소성 유한요소법을 제안하고 실례를 통하여 제안한수법에 의하여 얻어진 해의 안정성과 계산효율을 검토한다.

Formulation, solution and CTL software for coupled thermomechanics systems

  • Niekamp, R.;Ibrahimbegovic, A.;Matthies, H.G.
    • Coupled systems mechanics
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    • 제3권1호
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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

  • 이강욱
    • 마이크로전자및패키징학회지
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    • 제22권2호
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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.

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

  • 신예린;최소연;유호영
    • 전기전자학회논문지
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    • 제23권4호
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    • pp.1288-1294
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    • 2019
  • Polar code의 채널용량 달성 특성은 polar code를 각광 받는 오류 정정 부호로 만들었다. 하지만 충분한 오류 정정 성능은 부호의 길이가 길어졌을 때 달성되는 점근적 속성을 보인다. 따라서 입력 데이터가 길어지는 경우에 대한 초대규모 집적회로 구현을 실현하기 위하여 효율적인 구조가 필요하게 되었다. 기존의 polar code 부호기 구조 중 가장 기본적인 완전 병렬 구조는 직관적이고 구현이 쉽지만 긴 polar code에 높은 하드웨어 복잡성을 보이므로 부적합하다. 그리고 이를 보완하여 제안된 부분 병렬 구조는 하드웨어 면적 측면에서 큰 성과를 얻었으나 그 방식이 일반화되어 있지 않아 설계자에 따라 구조에 변동이 발생할 수 있다. 본 논문에서는 이를 개선하고자 비트 차원의 치환을 위해 제안된 회로 설계법을 polar code에 적용하는 하드웨어 설계법을 제안한다. 제안하는 방법을 polar code의 부호기에 적용함으로써 완전 병렬 부호기만큼 직관적인 구조를 가짐과 동시에 일반화된 polar code 부분 병렬 부호기를 설계할 수 있다.

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

  • 이병기
    • 한국문헌정보학회지
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    • 제57권4호
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    • pp.25-47
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    • 2023
  • 도서관협력수업은 사서교사와 교과교사가 공동으로 수업을 계획하고, 공동으로 수업을 전개하며, 공동으로 평가하는 과정이다. 도서관협력수업은 협력의 수준, 정보활동, 시간표 운영 등 다양한 차원에서 연구되고 모델이 개발되어 왔다. 그럼에도 도서관협력수업을 전체적으로 총괄하는 통합모형이 개발되어 있지 않다. 본 연구는 5가지 차원(협력수준, 정보활동, 협력접근, 시간운영, 기술통합)에서 다양한 모형을 비교·분석하여 도서관협력수업의 모형을 도식적으로 제안하는데 목적이 있다. 본 연구에서 제안한 도서관협력수업 통합모형의 주요 내용은 다음과 같다. 첫째, 협력수준 차원에서, 통합모형은 도서관활용 교사수업, 범 교과 통합교육과정 등을 반영하였다. 둘째, 정보활동 차원에서, 통합모형에는 정보활용과정과 더불어 사회 및 과학교과 탐구활동을 반영하였다. 셋째, 협력접근 차원에서 통합모형은 주도-관찰수업, 병렬 스테이션 수업 등으로 구분하였다. 넷째, 시간 운영 차원에서는 한국의 국가수준 교육과정과 시간표 편성 방식을 고려하였다. 다섯째, 기술통합의 차원에서, 통합모형은 PICRAT 모형을 도서관협력수업의 관점에서 수정, 반영하였다.

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

  • 황상윤;박성하;박경암
    • 유체기계공업학회:학술대회논문집
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    • 유체기계공업학회 2002년도 유체기계 연구개발 발표회 논문집
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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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공공연구기관에서의 복합제품개발을 위한 기술혁신시스템 (The Technology Innovation System for Complex System Product Development of Public Research Institutes)

  • 조황희
    • 기술혁신학회지
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    • 제1권3호
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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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    • 제12권1호
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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.