| 基于网格的计算化学过程可视化* |
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| 引用本文： | 陈建华,段启智,金钟,刘倩,张宝花,迟学斌.基于网格的计算化学过程可视化*[J].计算机应用研究,2012,29(2):432-434. |
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| 作者姓名： | 陈建华 段启智 金钟 刘倩 张宝花 迟学斌 |
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| 作者单位： | 1. 中国科学院计算机网络信息中心超级计算中心,北京100190;中国科学院研究生院,北京100049
2. 中国科学院计算机网络信息中心超级计算中心,北京,100190 |
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| 基金项目： | 国家“863”计划资助项目（2006AA01A119，2009AA01A130） |
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| 摘 要： | 提出了一个基于网格的计算化学过程可视化解决方案,实时地监控计算过程,增加对计算过程的控制。网格提供了计算作业所需要的大量计算资源,对计算过程的实时监控则增加了对计算过程的控制。为了达到实时的目的,针对计算过程中的原子不变性,提出了优化的三维可视化方法,动态地设定检测的时间间隔,并引入了断点续传的思想。
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| 关 键 词： | OPTView Java3D 计算过程可视化 断点续传 计算化学 网格 |
Grid-based interactive visualization of computational process on computational chemistry |
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| CHEN Jian-hu,DUAN Qi-zhi,JIN Zhong,LIU Qian,ZHANG Bao-hu,CHI Xue-bin.Grid-based interactive visualization of computational process on computational chemistry[J].Application Research of Computers,2012,29(2):432-434. |
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| Authors: | CHEN Jian-hu DUAN Qi-zhi JIN Zhong LIU Qian ZHANG Bao-hu CHI Xue-bin |
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| Affiliation: | (1.Super Computing Center, Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China; 2. Graduate University of Chinese Academy of Sciences, Beijing 100049, China) |
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| Abstract: | This paper presented a grid-based interactive visualization of computational process resolution to monitor the process in real time. The grid supplied large resources for the computation. And monitoring the process of computation helped to control the process. As atoms were never changed in the computation process, the paper gave an optimized 3D visualization method. It introduced dynamical interval setting and resume broken transfer in data retrieving from the grid. |
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| Keywords: | OPTView Java3D computation process visualization resume broken transfer computational chemistry grid |
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