After 2 months, I came to the end of Summer Of HPC. I would like to share with you the optimization methods I followed in this two-month great adventure. In my previous blog post, I explained how the function compute_density_at_grid_points() …

Time to say Goodbye after Optimizing Read More »

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source:https://www.researchgate.net/figure/SCF-electron-density-difference-map-of-the-MOHH-2-O-complexes-The-contour-isovalue_fig4_274404435

First, the density at the grid points needs to be calculated. Since this process includes intensive computation, the process is done on the GPU. How is the density calculated on a grid point? The idea is to calculate the densities …

Analyse, Code, Profile, Code Read More »

Working at Office

Greetings to all, Actually, I would like to go back a little bit with you to explain my curiosity about computer science. In my childhood, I entered the world of science by questioning how the first bridge has stood for …

Summer of HPC ? Shortly work, learn, have fun Read More »

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