Abstract:Compared with CUDA and OpenCL, OpenACC has the advantages of simple programming, openness, and good portability for GPU acceleration. An OpenMP/OpenACC implementation for molecular dynamics of silicon crystal on GPUs is proposed. First, to make effective use of vectorization and streaming, data structure conversion and data dependence elimination are designed.Second, the parallel version on the single GPU is realized by adding OpenACC guidance sentences, with very few modifications. Third, a patch block strate… Show more
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