[QE-users] d3hess.x runs out of memory

[Jan-Benedikt Weiss]

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