On-the-fly clustering for exascale molecular dynamics simulations. - presented by Dr Alizée Dubois and Thierry Carrard

On-the-fly clustering for exascale molecular dynamics simulations.

Alizée Dubois and Thierry Carrard

ADThierry Carrard
Slide at 23:54
3 mars 15:25 a Activités Visionneur de documents 192,2% pres_algo_killian.pdf STRONG SCALING RESULTS Analysis MD EAM 8.00 Ideal scaling 81.9M atoms Per-node MPI/OMP work 4.00 distribution : 2.00 4 MPI X 32 OMP 1.00 CONSTANT WORKLOAD : 0.50 81.9 106 atoms 0.25 58.9 . 106 voxels 0.12 0.06 1024 2048 4096 Cores A. DUBOIS - T. CARRARD - COMPUTER PHYSICS COMMUNICATIONS SEMINAR SERIES - 03/03/25 II Votre écran est partagé par le biais de l'application app.zoom.us. Arrêter le partage Masquer
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Summary (AI generated)

We evaluate the reduction in computation time as we increase the number of calls. The dotted black line represents the ideal scenario. Although we do not perfectly align with this ideal, our performance improves with a higher load of atoms.