کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
4964483 | 1447807 | 2017 | 13 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
GPU implementation of the Rosenbluth generation method for static Monte Carlo simulations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: GPU implementation of the Rosenbluth generation method for static Monte Carlo simulations GPU implementation of the Rosenbluth generation method for static Monte Carlo simulations](/preview/png/4964483.png)
چکیده انگلیسی
We present parallel version of Rosenbluth Self-Avoiding Walk generation method implemented on Graphics Processing Units (GPUs) using CUDA libraries. The method scales almost linearly with the number of CUDA cores and the method efficiency has only hardware limitations. The method is introduced in two realizations: on a cubic lattice and in real space. We find a good agreement between serial and parallel implementations and consistent results between lattice and real space realizations of the method for linear chain statistics. The developed GPU implementations of Rosenbluth algorithm can be used in Monte Carlo simulations and other computational methods that require large sampling of molecules conformations.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 216, July 2017, Pages 95-101
Journal: Computer Physics Communications - Volume 216, July 2017, Pages 95-101
نویسندگان
Yachong Guo, Vladimir A. Baulin,