[Thermo_pw-forum] Error is coming while running in the supercomputer

Avula Indu induavula at iitkgp.ac.in
Wed Apr 27 14:09:08 CEST 2022


Dear Users,

I am calculating elastic constants of Niobium with temperature using thermo_pw 1.6.1 (Qe-7.0). For this I am using quasi-static method. In this method I can successfully run all the programs (First - what='elastic_constants_t' and second - what='mur_lc_t) in my laptop. However when I run the same input files in supercomputer with more number of processers (20) I am getting this error

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Computing geometry     1
     %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     Reading input from in.Nb_T

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine  read_namelists (2):
      could not find namelist &inputph
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


This my ph_control file
 
ph_title
 &inputph
  tr2_ph=1.0d-12,
  verbosity='high',
  outdir='./Nb/'
  prefix='Nb',
  fildyn='Nb.dyn.xml',
  ldisp=.TRUE.
  nq1=6, nq2=6, nq3=6,
/

Can anyone please tell me what is the problem when running with the more no. of processers.


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