Dear all,
whenever I try to run d3hess.x after a geometry optimisation, it stops
because it runs out of memory at the start of the calculation (All my
structures contain >200 atoms). When I run the calculation on more cores
to provide more memory, I get the following error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine fft_type_set (6):
there are processes with no planes. Use pencil decomposition (-pd
.true.)
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Is there any way to get around this? I already disabled three-body
interactions and the following phonon calculation shall only be run at
q=0. According to the input description, d3hess.x doesn't provide
options to help with this issue.
Best wishes and thank you
Jan
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