[QE-users] problem in parallel exexution of example07 of HP

Mpayami mpayami at aeoi.org.ir
Fri May 19 08:28:28 CEST 2023


Dear QE users,

Hi.
I am trying to run example07 of HP code in parallel. So, I prepared the relevant inputs and started to run simultaneously on different nodes each.
I get the meaage for all perturbed atoms and their corresponding q-points:
********
 =--------------------------------------------=
             START SOLVING THE LINEAR SYSTEM
      =--------------------------------------------=

      atom #  1   q point #   3   iter #   1
      kpoint   1 hp_solve_linear_system: root not converged, thresh <  0.967E-07
      Try to increase thresh_init...
************************

This behavior is not seen when running sequentially as does the "run_example".
Should I run any preparatory calculations before starting the parallel one?

Any comments is highly appreciated.

Bests,
Mahmoud


-------------------------------
Mahmoud Payami
NSTRI, AEOI,Tehran, Iran
Email: mpayami at aeoi.org.ir
Phone: +98(0)2182066504
------------------------------------

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