• Title/Summary/Keyword: openMP

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Accelerating Group Fusion for Ligand-Based Virtual Screening on Multi-core and Many-core Platforms

  • Mohd-Hilmi, Mohd-Norhadri;Al-Laila, Marwah Haitham;Hassain Malim, Nurul Hashimah Ahamed
    • Journal of Information Processing Systems
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    • v.12 no.4
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    • pp.724-740
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    • 2016
  • The performance issues of screening large database compounds and multiple query compounds in virtual screening highlight a common concern in Chemoinformatics applications. This study investigates these problems by choosing group fusion as a pilot model and presents efficient parallel solutions in parallel platforms, specifically, the multi-core architecture of CPU and many-core architecture of graphical processing unit (GPU). A study of sequential group fusion and a proposed design of parallel CUDA group fusion are presented in this paper. The design involves solving two important stages of group fusion, namely, similarity search and fusion (MAX rule), while addressing embarrassingly parallel and parallel reduction models. The sequential, optimized sequential and parallel OpenMP of group fusion were implemented and evaluated. The outcome of the analysis from these three different design approaches influenced the design of parallel CUDA version in order to optimize and achieve high computation intensity. The proposed parallel CUDA performed better than sequential and parallel OpenMP in terms of both execution time and speedup. The parallel CUDA was 5-10x faster than sequential and parallel OpenMP as both similarity search and fusion MAX stages had been CUDA-optimized.

A Study on Efficient Parallel Programming (효율적인 병렬처리 프로그램 방식에 관한 연구)

  • Yoon, Sang-Hyuk;Kim, Youngtae
    • Proceedings of the Korea Information Processing Society Conference
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    • 2016.04a
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    • pp.67-69
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    • 2016
  • 분산 병렬 프로그램의 성능을 향상시키기 위하여 분산 컴퓨터에서는 메시지 전송 방식(MPI)을 사용하고 독립적인 컴퓨터 내에서는 OpenMP를 사용하여 성능을 향상시키는 혼합형 병렬 방식이 많이 사용되고 있다. 본 논문에서는 OpenMP방식과 MPI 방식을 혼용하는 방식을 순수 MPI만 사용하는 방식과 비교하여 성능을 분석하였다. 성능 분석 결과, MPI만을 사용하는 방식의 성능이 효율적임을 보여주었다.

High-resolution Urban Flood Modeling using Cellular Automata-based WCA2D in the Oncheon-cheon Catchment in Busan, South Korea (셀룰러 오토마타 기반 WCA2D 모형을 이용한 부산 온천천 유역 고해상도 도시 침수 해석)

  • Choi, Hyeonjin;Lee, Songhee;Woo, Hyuna;Noh, Seong Jin
    • KSCE Journal of Civil and Environmental Engineering Research
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    • v.43 no.5
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    • pp.587-599
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    • 2023
  • As climate change increasesthe frequency and risk of flooding in major cities around theworld, the importance ofsimulation technology that can quickly and accurately analyze high-resolution 2D flooding information in large-scale areasis emerging. The physically-based approaches based on the Shallow Water Equations (SWE) often requires huge computer resources hindering high-resolution flood prediction. This study investigated the theoretical background of Weighted Cellular Automata 2D (WCA2D), which simulates spatio-temporal changes offlooding using transition rules and weight-based system, and assessed feasibility to simulate pluvial flooding in the urbancatchment, theOncheon-cheon catchmentinBusan, SouthKorea.Inaddition,the computation performancewas compared by applying versions using OpenComputing Language (OpenCL) andOpenMulti-Processing (OpenMP) parallel computing techniques. Simulationresultsshowed that the maximuminundation depthmap by theWCA2Dmodel cansimilarly reproduce historical inundation maps. Also, it can precisely simulate spatio-temporal changes of flooding extent in the urban catchment with complex topographic characteristics. For computation efficiency, parallel computing schemes, theOpenCLandOpenMP, improved the computation by about 8~14 and 5~6 folds respectively, compared to the sequential computation.

A Study on Optimum Coding Method for Correlation Processing of Radio Astronomy (전파천문 상관처리를 위한 최적 코딩 방법에 관한 연구)

  • Shin, Jae-Sik;Oh, Se-Jin;Yeom, Jae-Hwan;Roh, Duk-Gyoo;Chung, Dong-Kyu;Oh, Chung-Sik;Hwang, Ju-Yeon;So, Yo-Hwan
    • Journal of the Institute of Convergence Signal Processing
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    • v.16 no.4
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    • pp.139-148
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    • 2015
  • In this paper, the optimum coding method is proposed by using open library in order to improve the performance of a software correlator developed for Korea-Japan Joint VLBI Correlator(KJJVC). The correlation system for VLBI observing system is generally implemented with hardware using ASIC or FPGA because the computational quantity is increased geometrically according to the participated observatory number. However, the software correlation system is recently constructed at a massive server such as a cluster using software according to the development of computing power. Since VLBI correlator implemented with hardware is able to conduct data processing with real-time or quasi real-time compared with mostly observational time, software correlation has to perform optimal data processing in coding work so as to have the same performance as that of the hardware. Therefore, in this paper, the experimental comparison was conducted by open-source based fftw library released in FFT processing stage, which is the most important part of the correlator system for performing optimum coding work in software development phase, such as general method using fftw library or methods using SSE(Streaming SIMD Extensions), shared memory, or OpenMP, and method using merged techniques listed above. Through the experimental results, the proposed optimum coding method for improving the performance of developed software correlator using fftw library, shared memory and OpenMP is effectively confirmed by reducing correlation time compared with conventional method.

A STUDY 01 OEEP ()VER81TE AND OPEN BITE BY VERTICAL CEPHALOMETRIC ANALYSIS (수직두개계측법에 의한 과개교합 및 개교에 관한 연구)

  • Jun, Youn Sic;Ryu, Young Kyu
    • The korean journal of orthodontics
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    • v.11 no.2
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    • pp.109-123
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    • 1981
  • The author studied and analyzed statistically 112 adults female ranging in age from 18 to 20 years with normal occlusion, 56 adults female ranging in age from 18 to 24 years with deep overbite and 53 adults female ranging in age from 18 to 28 years with open bite by vertical cephalometric analysis. The results were as follows; 1. In comparing normal occlusion with deep overbite and open bite, skeletal linear measurements were more significant than dentoalveolar linear measurements. SN-MP angle, SN-OP angle, PP-OP angle and Xi angle (ANS-Xi-Pog) were significant in anglular measurements. 2. Upper posterior facial height (SE-PNS), upper anterior alveolar height, lower posterior alveolar height, lower posterior alveolar height/lower anterior alveolar height and SN-PP angle were non significant between deep overbite and open bite. 3 The most significant items between deep overbite and open bite were lower anterior facial height (ANS-ME) and SN-MP angle. 4. Correlation coefficients of angular measurements were higher in deep overbite, while that of linear measurement total anterior facial height (N-ME) was higher in open bite. 5. In the multiple regression equation, significant variables were total anterior facial height (N-ME), lower anterior alveolar height, upper anterior alveolar height, upper posterior alveolar height, Xi angle (ANS-Xi-Pog) and ramus height (AR-Go) in deep overbite, and total anterior facial height (N-Me), lower anterior alveolar height, ramus height (AR-Go), lower posterior alveolar height, PP-MP angle and upper posterior facial height (SE-PNS) in open bite.

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Performance Analysis of the Parallel CUPID Code for Various Parallel Programming Models in Symmetric Multi-Processing System (Symmetric Multi-Processing 시스템에서 다양한 병렬 기법 모델을 적용한 병렬 CUPID 코드의 성능분석)

  • Jeon, Byoung Jin;Lee, Jae Ryong;Yoon, Han Young;Choi, Hyoung Gwon
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.38 no.1
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    • pp.71-79
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    • 2014
  • A parallelization of the bi-conjugate gradient solver for the pressure equation of the CUPID (component unstructured program for interfacial dynamics) code, which was developed for analyzing the components of a pressurized water-cooled reactor, was studied in a symmetric multi-processing system. The parallel performance was investigated for three typical parallel programming models (MPI, OpenMP, Hybrid) by solving incompressible backward-facing step flow at various grid resolutions. It was confirmed that parallel performance was low when problem size was small or the memory requirement for each thread was considerably higher than the cache memory. Furthermore, it was shown that MPI was better than OpenMP regardless of the problem size, and Hybrid was the best when the number of threads was relatively small.

An Efficient Scheme for Creating Concurrency Information in OpenMP Programs (OpenMP 프로그램을 위한 효율적 병행성 정보의 생성기법)

  • Ha, Ok-Kyoon;Kim, Sun-Sook;Jun, Yong-Kee
    • Proceedings of the Korean Information Science Society Conference
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    • 2010.06c
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    • pp.534-539
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    • 2010
  • OpenMP 프로그램의 수행 중에 발생하는 자료 경합과 같은 병행성 오류는 디버깅을 위하여 반드시 탐지되어야만 한다. 그러나 이를 탐지하는 것은 어려운 일이다. 접근사건의 발생 후 관계를 기반으로하는 경합 탐지 기법은 프로그램의 수행 중에 발생하는 스레드의 병행성 정보를 식별하기위한 레이블을 생성하고, 생성된 스레드의 레이블을 기반으로 공유변수에 접근하는 사건을 접근역사를 통해 감시함으로써 경합을 탐지한다. 이러한 경합 탐지의 방법에서 레이블 생성을 위한 NR 레이블링 기법은 병행성 정보생성 시에 지역자료 구조를 사용함으로써 병목현상이 발생하지 않으며, 접근역사에 저장하는 레이블의 크기가 상수 값을 갖는 공간적 효율성을 제공한다. 또한 부모스레드의 정보역사를 정렬된 리스트 형태로 가져 병행성 정보 비교 시에 이진탐색이 가능하므로 시간적 효율성을 가지는 우수한 기법이다. 그러나, NR 레이블링은 레이블의 생성시에 부모스레드의 정보역사를 유지하기 위해서 내포 병렬성의 깊이에 의존하는 시간적 비용이 요구된다. 본 논문에서는 부모스레드의 정보역사 유지를 위해 상수적인 시간 및 공간적 복잡도를 갖도록 NR 레이블링 기법을 개선한다. 합성 프로그램을 이용하여 실험한 결과에서 개선된 기법은 최대 병렬성의 증가에 따라 레이블의 생성과 유지시 기존의 기법보다 평균 4.5배 빠르고, 레이블링을 위해 평균 3배 감소된 기억공간을 요구하며, 내포 병렬성에 의존적이지 않음을 보인다.

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Numerical Analysis of Detonation Wave Propagation in Annular Channel (환상 형 도관 내의 데토네이션 파 전파 특성 해석)

  • Lee, Su-Han;Cho, Deok-Rae;Choi, J.Y.
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2007.11a
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    • pp.367-370
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    • 2007
  • Present study examines detonation wave propagation characteristics in annular channel. A normalized value of channel width to the annular radius was considered as a geometric parameter. A parametric study was carried out for a various regimes of detonation waves from weakly unstable to highly unstable detonation waves. Numerical approaches that used in the previous study of numerical requirements of the simulation of detonation wave propagations in 2D and 3D channel were used also for the present study with OpenMP parallization for multi-core SMP machines. The major effect of the curved geometry on the detonation wave propagation seems to be a flow compression effect, regardless of the detonation regimes. The flow compression behind the detonation wave by the curved geometry of the circular channel pushes the detonation wave front and results in the overdriven detonation waves with increased detonation speed beyond the Chapmann-Jouguet speed. This effect gets stronger as the normalized radius smaller, as expected. The effect seems to be negligible beyond the normalized radius of 10.

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