Hello,
I have a calculation of Germanium that I would like to run, but I am
uncertain as to how to parallelize it. I have a kpt_grid of 4, 4, 4 and
a qpt_grid of 4, 4, 4. The number of bands, num_band is 18. I did the
scf calculation on a kpoint grid of 8 8 8 0 0 0.
My current submit command is:
mpirun -np 4 /home/grayj6/data/q-e-qe-6.3/SternheimerGW/main/bin/gw.x
-npool 4 < gw.in >gw.out
... but I do not observe any noticeable speed ups when I add in nbgrp or
ntask parallelization.
Thank you!
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