Density Functional Theory Calculation on many-cores Hybrid CPU-GPU architectures

We present the implementation of a full electronic structure calculation code on a hybrid parallel architecture with graphic processing units (GPUs). This implementation is performed on a free software code based on Daubechies wavelets. Such code shows very good performances, systematic convergence...

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Veröffentlicht in:	The Journal of chemical physics 2009, Vol.131
Hauptverfasser:	Genovese, Luigi, Ospici, Matthieu, Deutsch, Thierry, Mehaut, Jean-François, Neelov, A., Goedecker, S.
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Science Distributed, Parallel, and Cluster Computing
Online-Zugang:	Volltext
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