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mpirun -np 160 -x UCX_NET_DEVICES=mlx5_0:1 -x UCX_LOG_LEVEL=error pw.x -inp ausurf.in

     Program PWSCF v.7.1 starts on 12Sep2022 at 20:12:15

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
         "P. Giannozzi et al., J. Chem. Phys. 152 154105 (2020);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI), running on   160 processors

     MPI processes distributed on     4 nodes
     166131 MiB available memory on the printing compute node when the environment starts

     Reading input from ausurf.in
Warning: card &CELL ignored
Warning: card   CELL_DYNAMICS = 'NONE', ignored
Warning: card / ignored

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  4
...

     General routines
     calbec       :     21.09s CPU     22.57s WALL (     168 calls)
     fft          :      1.25s CPU      1.45s WALL (     296 calls)
     ffts         :      0.09s CPU      0.12s WALL (      44 calls)
     fftw         :     40.23s CPU     40.97s WALL (  100076 calls)
     interpolate  :      0.11s CPU      0.15s WALL (      22 calls)

     Parallel routines

     PWSCF        :   3m27.78s CPU   3m58.71s WALL


   This run was terminated on:  20:16:14  12Sep2022

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=

Task and submission

  • to be added later