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首页> 外文会议>International Conference on Computational Science and Its Applications(ICCSA 2004) pt.2; 20040514-20040517; Assisi; IT >Parallelization of Reaction Dynamics Codes Using P-GRADE: A Case Study
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Parallelization of Reaction Dynamics Codes Using P-GRADE: A Case Study

机译：使用P-GRADE并行化反应动力学代码：一个案例研究

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摘要

P-GRADE, a graphical tool and programming environment was used to parallelize atomic level reaction dynamics codes. In the reported case study a classical trajectory code written in FORTRAN has been parallelized. The selected level was coarse grain parallelization. P-GRADE allowed us to use automatic schemes, out of which the task farm was selected. The FORTRAN code was separated into an input/output and a working section. The former, enhanced by a data transfer section operates on the master, the latter on the slaves. Small sections for data transfer were written in C language. The P-GRADE environment offers a user-friendly way of monitoring the efficiency of the parallelization. On a 20-processor NPACI Rocks cluster the speed-up is 99 percent proportional to the number of processors.
机译：P-GRADE是一种图形工具和编程环境，用于并行化原子级反应动力学代码。在报道的案例研究中，用FORTRAN编写的经典轨迹代码已并行化。所选水平为粗晶粒平行化。 P-GRADE允许我们使用自动方案，从中选择了任务场。 FORTRAN代码分为输入/输出和工作部分。前者由数据传输部分增强，后者在主机上运行，​​后者在从机上运行。用于数据传输的小部分用C语言编写。 P-GRADE环境提供了一种用户友好的方式来监控并行化效率。在具有20个处理器的NPACI Rocks集群上，加速比与处理器数量成比例为99％。

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