[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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