Re: [Aspuru-Guzik group list] [Aspuru-meetings-list] group meeting: Dr. Xavier Andrade

Hi Everyone, Next week Xavier will be giving a presentation on his work at the intersection of GPU programming and DFT. The meeting will be at the usual time and place and an abstract of the talk is provided below. Designing software for optimal GPU performance: application to real-space DFT Since there has been a lot of interest in the group for GPU programming, in this group meeting I want to talk a bit about the experience I have gained about how to write efficient programs for GPUs. In the first part of the talk I will discuss a bit about the GPU architecture and how to design (or redesign) a scientific code to take advantage of it. In the second part of the talk I will discuss how this is applied to the Octopus code and the results we obtain. To conclude, I want to ask the group for some input about comparing performance between real-space and Gaussian DFT. -- Ryan Babbush | PhD Student in Physics (949) 331-3943 | babbush(a)fas.harvard.edu Harvard University | Aspuru-Guzik Group 12 Oxford Street | Cambridge, MA 02138