FI-2013-1-0010: Octopus GS and TD scaling testing in new archictecures
MEC y MICINN
Status: finished projectThe activity proposed pursues the test and optimization of the scientific software Octopus which solves the Kohn-Sham time-dependent density functional theory with applications to the optical/electronic properties of nanostructures and biomolecules. The software octopus has shown good scalability in time-dependent runs processors, but has not yet been tested in the ground-state and neither in the new MareNostrum architecture
Objectives
Improve and test the GS scalability of Octopus
Participants
Joseba Alberdi-Rodriguez
Angel Rubio