[Pw_forum] phonon calculation in Ni on 7x7x7 mesh problem.

[German Samolyuk]

Dear QE developers, users,

I'm trying to calculate phonon in Ni with ultrasoft
pspot Ni.pbe-nd-rrkjus.UPF with 7x7x7 mesh.
It perfectly works for nxnxn with n <= 6 but fail with larger n starting
from 7.
for  q =    0.5714286  -0.2857143   0.8571429

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine set_kup_and_kdw (27648):
     too many k points
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

I run

mpirun ./ph.x -npool 64 < ni.ph.in > ni.ph.out


with ni.ph.in

Electron-phonon coefficients for Ni
 &inputph
 tr2_ph=1.0d-12,
 prefix='Ni',
 amass(1)=58.70,
 outdir='.',
 fildyn='ni.dyn',
 ldisp=.true.
 nq1=7, nq2=7, nq3=7
/




5.1 QE version

intel based cluster 16 cores per node. QE espresso compiled with intel
compiler.



What can cause this problem?


Thank you,

German,

German Samolyuk, ORNL, USA
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