Density Functional Theory calculation on many-cores hybrid CPU-GPU architectures
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| Publicado en: | arXiv.org (Apr 9, 2009), p. n/a |
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| Autor principal: | |
| Otros Autores: | , , , , |
| Publicado: |
Cornell University Library, arXiv.org
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| Materias: | |
| Acceso en línea: | Citation/Abstract Full text outside of ProQuest |
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| 001 | 2087663313 | ||
| 003 | UK-CbPIL | ||
| 022 | |a 2331-8422 | ||
| 035 | |a 2087663313 | ||
| 045 | 0 | |b d20090409 | |
| 100 | 1 | |a Genovese, Luigi | |
| 245 | 1 | |a Density Functional Theory calculation on many-cores hybrid CPU-GPU architectures | |
| 260 | |b Cornell University Library, arXiv.org |c Apr 9, 2009 | ||
| 513 | |a Working Paper | ||
| 520 | 3 | |a The implementation of a full electronic structure calculation code on a hybrid parallel architecture with Graphic Processing Units (GPU) is presented. The code which is on the basis of our implementation is a GNU-GPL code based on Daubechies wavelets. It shows very good performances, systematic convergence properties and an excellent efficiency on parallel computers. Our GPU-based acceleration fully preserves all these properties. In particular, the code is able to run on many cores which may or may not have a GPU associated. It is thus able to run on parallel and massive parallel hybrid environment, also with a non-homogeneous ratio CPU/GPU. With double precision calculations, we may achieve considerable speedup, between a factor of 20 for some operations and a factor of 6 for the whole DFT code. | |
| 653 | |a Acceleration | ||
| 653 | |a Mathematical analysis | ||
| 653 | |a Density functional theory | ||
| 653 | |a Graphics processing units | ||
| 653 | |a Electronic structure | ||
| 653 | |a Computing time | ||
| 653 | |a Parallel computers | ||
| 653 | |a Wavelet analysis | ||
| 700 | 1 | |a Ospici, Matthieu | |
| 700 | 1 | |a Deutsch, Thierry | |
| 700 | 1 | |a Jean-François Méhaut | |
| 700 | 1 | |a Neelov, Alexey | |
| 700 | 1 | |a Goedecker, Stefan | |
| 773 | 0 | |t arXiv.org |g (Apr 9, 2009), p. n/a | |
| 786 | 0 | |d ProQuest |t Engineering Database | |
| 856 | 4 | 1 | |3 Citation/Abstract |u https://www.proquest.com/docview/2087663313/abstract/embedded/75I98GEZK8WCJMPQ?source=fedsrch |
| 856 | 4 | 0 | |3 Full text outside of ProQuest |u http://arxiv.org/abs/0904.1543 |