Density Functional Theory calculation on many-cores hybrid CPU-GPU architectures

محفوظ في:

التفاصيل البيبلوغرافية
الحاوية / القاعدة:	arXiv.org (Apr 9, 2009), p. n/a
المؤلف الرئيسي:	Genovese, Luigi
مؤلفون آخرون:	Ospici, Matthieu, Deutsch, Thierry, Jean-François Méhaut, Neelov, Alexey, Goedecker, Stefan
منشور في:	Cornell University Library, arXiv.org
الموضوعات:	Acceleration Mathematical analysis Density functional theory Graphics processing units Electronic structure Computing time Parallel computers Wavelet analysis
الوصول للمادة أونلاين:	Citation/Abstract Full text outside of ProQuest
الوسوم:	إضافة وسم لا توجد وسوم, كن أول من يضع وسما على هذه التسجيلة!

الوصف
مستخلص:	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.
تدمد:	2331-8422
المصدر:	Engineering Database