کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5375941 | 1504309 | 2008 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Uniting extrinsic vectorization and shell structure for efficient SIMD evaluation of electron repulsion integrals
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
Future computer architectures are likely to feature greater reliance on single instruction multiple data (SIMD) processing for high throughput processing of data-intensive workloads. For algorithms that rely heavily on electron repulsion integrals (ERIs), exploitation of SIMD processing requires extrinsic vectorization, i.e. the sorting of ERIs into sets with equivalent class that may be computed with an identical instruction stream. Such sorting is incongruous with the commonly exploited shell structure whereby ERI are generated over shells such that initialization/bootstrap values may be reused, yielding significant savings in ERI evaluation time. In this work, we discuss how extrinsic vectorization may be unified with shell structure through the exploitation of memory access locality.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 349, Issues 1â3, 16 June 2008, Pages 147-157
Journal: Chemical Physics - Volume 349, Issues 1â3, 16 June 2008, Pages 147-157
نویسندگان
Tirath Ramdas, Gregory K. Egan, David Abramson, Kim K. Baldridge,