Dear all,
I am currently performing phonon calculation of 2D materal (10
atoms per unit cell) with QE using dense q-point (6*6*1) mesh. The problem
is I cannot run these calculations with large no. of processors (right now
I am running on 32 processors and it is taking a lot of time), as then the
code complains that it cannot divide the wave function in so many
processors. I was wondering if one can parallelise on the basis of q-points
or by no. of irreducible representations. I would really appreciate any
suggestion in this regard. Thanks in advance.
best regards,
--
Rajdeep Banerjee
PhD student
JNCASR, Bangalore
India
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