[QE-users] Phonons with images

Malte Sachs malte.sachs at chemie.uni-marburg.de
Mon Feb 25 13:53:06 CET 2019


Dear all,

I have tested the image-example for phonon calculations using 
QuantumEspresso 6.3. In the case I am using these commands:

mpirun -np 4 pw.x < ...

mpirun -np 4 ph.x -ni 2 < ...

mpirun -np 4 ph.x < ....

everything works fine. However, using this:

mpirun -np 2 pw.x < ...

mpirun -np 4 ph.x -ni 2 < ...

mpirun -np 2 ph.x < ....

yields an error in the last step: "pw.x run with a different number of 
processors. Use wf_collect=.true."  However, I have the same number of 
processors in pw.x and ph.x and the wf_collect option is activated by 
default. So I don't know what is going on.

Best regards,
Malte Sachs

-- 
Malte Sachs
Anorganische Chemie, Fluorchemie
Philipps-Universität Marburg
Hans-Meerwein-Straße 4
35032 Marburg (Paketpost: 35043 Marburg)
Tel.: +49 (0)6421 28 - 25 68 0
http://www.uni-marburg.de/fb15/ag-kraus/

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