<html>Dear users,<br /><br />I need to use wannier90 on top of quantum espresso to deal with a<br />multilayer BiFeO3-LaFeO3 with 60 atoms overall.<br /><br />I run the scf calculation to compute the Kohn-Sham orbitals on a 6x6x4 k-mesh,<br />and then I need to refine the k-mesh to 18x18x10 with a nscf calculation, asking for 220 bands.<br />The calculation is spin-polarized to deal with antiferromagnetism in BFO with<br />the Hubbard corrections to the Fe d states included.<br /><br />I employ the following parallelization parameters over 360 processors:<br />-nk 36 -nb 10<br />without OMP parallelization.<br /><br />The problem here is that the nscf calculation does not complete within 24 hours,<br />so I wonder: can I change the parallelization options in order to obtain a better scaling?<br />What would be a better setting?<br />I appreciate any suggestion, even though I know that parallelization does not perform miracles.<br /><br />Thank you,<br />Francesco Delodovici, CentraleSupelec Paris-Saclay Université<br /> </html>