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  • k-point parallelization should only be used if you have a big system that runs too slowly on one node
  • k-point parallelization is not as memory efficient as planewave parallelization, but it is supposed to scale better to more nodes (ask cpo if you want a better explanation)
  • vossj Johannes and cpo have not yet seen good scaling behavior for the k-point parallelization, at least with small systems, so perhaps we're doing something wrong
  • to turn on For k-point parallelization , only for the native mode described above you can : add something like "-npool 2" at the end of the line if you want to parallelize over k-points
  • an example: for 8 cores and 2 pools, a group each of the 2 pools of 4 cores would parallelize over planewaves, but the 2 pools would process pairs of k-points in parallel.
  • if you have done it correctly, you should see a line about "K-points division" in your espresso log file (the planewave parallelization produces a line like "R & G space division")

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