Joseba Alberdi-Rodriguez edited Parallelization.tex  over 9 years ago

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Joseba, Micael, Xavier  In order to numerically calculate physical observables we need to discretise  the problem. To this end, we use a grid mesh  representation (e.g. which changes the charge density and the electrostatic potential to discrete functions) functions),  with values defined over a finite number of points distributed over a grid. mesh.  Real-space grid mesh  approach is really efficient in terms of performance. {\sc Octopus} has shown a high performance in current architectures \cite{Alberdi_2014}, not only because of the grid-partitioning mesh-partitioning  but also because of other kind of parallelizations. One natural way of parallelization is the state parallelization. Indeed, every state (or wavefunction) of the system is represented over a discrete mesh, being each state independent of the others.   %This, allows a natural way of parallelization.