论文信息 - Parallelization of Reaction Dynamics Codes Using P-GRADE: A Case Study

Parallelization of Reaction Dynamics Codes Using P-GRADE: A Case Study

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.

Ákos Bencsura | György Lendvay

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