Dear Mehran
First of all please don't use outdated versions of the code (6.3 is
quite old, now). Even if your problem depends on some bug, nobody is
interested in finding and correcting it if it is not reproduced using
the current version (that is 7.2).
This said, there is no code error but some system error, possibly
related to memory allocation even if the estimate of memory usage for
your job is quite small.
Estimated max dynamical RAM per process > 29.11 MB
Estimated total dynamical RAM > 1.14 GB
However, I notice that you are using extremely low cutoffs
ecutwfc = 10.0
ecutrho = 40.0
not suitable at all for production runs and (maybe, or maybe not) at
the origin of some kind of instability.
HTH
Giuseppe
Quoting Mehran Bahramyan <[email protected]>:
Greetings Users,
I trust this message finds you in good health. As a novice in the field, I
am seeking assistance with running 'scf' calculations for high entropy
alloys. Enclosed in this email are the input file, the output file and the
error file for your reference. Unfortunately, the run is prematurely
terminated after nine iterations and fails to reach convergence. I would
greatly appreciate any guidance or support in resolving this matter.
Kind regards,
Mehran
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