Dear Dr. Iurii
Once again. Thanks for your patience. In fact I have tried running example16.
The result is the same : the code crashes when the SOC is included, but exits
normally when it is not. I will try to lower the cutoff energy and see what
happens
regards
Dear Elio,
The problem is due to the fact that you use k-points pools for the pw.x run but
you don't use k-points pools for the turbo_eels.x run. Please note that the two
calculations must be parallelized in exactly the same way. So try the following:
mpirun -np 64 pw.x -nk 2 < pwscf.in >
Dear Elio,
> The problem is due to the fact that you use k-points pools for the pw.x run
> but you don't use k-points pools for the turbo_eels.x run. Please note that
> the two calculations must be parallelized in exactly the same way. So try the
> following:
> mpirun -np 64 pw.x -nk 2 <
Dear Dr. iurii,
Reducing the number of nodes and /or the k-points does not help. Commenting out
the 'noncolin' and 'lspinorb' flags solves the issue, no matter what the number
of Kpoints and ecut values used.
Regards
From: Iurii TIMROV
Sent: Wednesday,
