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Time benchmarks for the OpenMP and GPU parallelized calculation in the planewave pseudopotential density functional approach
http://hdl.handle.net/2297/44058
http://hdl.handle.net/2297/440586390e486-a56c-4f3c-9559-1247c7a4a9d2
名前 / ファイル | ライセンス | アクション |
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Item type | 報告書 / Research Paper(1) | |||||
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公開日 | 2017-10-03 | |||||
タイトル | ||||||
タイトル | Time benchmarks for the OpenMP and GPU parallelized calculation in the planewave pseudopotential density functional approach | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプ識別子 | http://purl.org/coar/resource_type/c_18ws | |||||
資源タイプ | research report | |||||
著者 |
後藤, 純平
× 後藤, 純平× 原口, 辰也× 辻川, 雅人× 小田, 竜樹 |
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書誌情報 |
Recent development in computational science : Selected Papers from the International Symposium on Computational Science - International Symposium on Computational Science Kanazawa University, Japan 巻 2, p. 17-25, 発行日 2011-10-01 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 2223-0785 | |||||
出版者 | ||||||
出版者 | Kanazawa e-Publishing | |||||
抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | We have investigated the computational performance of the first principles molecular dynamics code which employs planewave basis set and pseudopotential of electron-ion interaction. The efficiency of task has been measured in terms of matrix multiplication (MM), fast Fourier transformation (FFT). For the implementations of the OpenMP and GP-GPU utilities, the MM was found to mark the considerable high score, whereas the FFT a fairly good one. Analyzing the resulting whole performance, efficiency of the task other than the MM and FFT has to be improved for a higher performance. | |||||
権利 | ||||||
権利情報 | Organizing Committee of ISCS | |||||
著者版フラグ | ||||||
出版タイプ | VoR | |||||
出版タイプResource | http://purl.org/coar/version/c_970fb48d4fbd8a85 |