[QE-users] The pencil decomposition option

[Elio Physics]

Dear Lorenzo,

Thanks for your quick response.  i tried this:

mpirun  pw.x -pd.true. < 1Tppp-mos2.scfeq.in > scfeq.out

and it worked perfectly fine.

Regards
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Lorenzo Bastonero <lbastone at uni-bremen.de>
Sent: Wednesday, November 9, 2022 12:13 PM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] The pencil decomposition option

Dear Elie,

You were almost there! Try adding literally what is suggested, i.e. “-pd .true.”

Best,
Lorenzo Bastonero

Inviato da iPhone

Il giorno 9 nov 2022, alle ore 15:08, Elio Physics <Elio-Physics at live.com> ha scritto:


Dear all,

I have been running some calculations on a supercomputer with some constraints on the number of processors I can run QE. I am faced with the error:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine  fft_type_set (6):
  there are processes with no planes. Use pencil decomposition (-pd .true.)
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

How do I tell the code to use the pencil decomposition? I have tried adding -pd to the 'mpirun' an adding use_pd=.true. in the PW inout but in vain.

Thanks in advance

Elie Moujaes
Adjunct professor
Federal University of Rondonia
Brazil.



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