[QE-developers] PwCond.x not running on more than 8 processors

Ankit Sirohi ankitresearch18 at gmail.com
Thu Jan 21 09:46:08 CET 2021


 Dear QE Developers,

I am using pwcond.x code to calculate the complex band structure.

It's running fine on 8 processors but giving segmentation faults when I am
running the same script on 16 or 32 or more processors. I am using intel
compiler.
I have copied the input file below as well as attached the output file. I
am using quantum espresso version 6.4.1.
Kindly help me in this regard.

Thank you,
Ankit Sirohi,
Research Scholar,
Department of Electrical Engineering.
Indian Institute of Technology Patna.
















*&inputcond    outdir='./'    prefixl='Auwire'    band_file='bands.Auwire'
  ikind=0    energy0=1.0d0    denergy=-0.05d0    ewind=4.d0
epsproj=1.d-5    nz1=3    cutplot = 1.d0 /    1    0.0 0.0 1.0    100  *
"
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