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EPW crashes during anisotropic calculation

Posted: Fri Dec 04, 2020 7:53 am
by mdogan
Hello,

I am running an anisotropic Eliashberg calculation which seems to crash in the middle of the calculation without an error message. The last few lines go as follows:

Code: Select all

     Pade approximant of anisotropic Eliashberg equations from imaginary-axis to real-axis
     Cutoff frequency wscut =     1.0000

        pade Re[znorm] [eV] Re[delta] [eV]
         16   1.965772E+00   1.365886E-02

     Convergence was reached for N =     16 Pade approximants


===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 0 PID 115190 RUNNING AT c124-064
=   KILLED BY SIGNAL: 6 (Aborted)
===================================================================================
Any help will be greatly appreciated!

Attachments can be found at [https://www.dropbox.com/sh/8dcxolcoz1ny ... GZRpa?dl=0].

Best,
Mehmet

Re: EPW crashes during anisotropic calculation

Posted: Sun Dec 06, 2020 6:20 pm
by roxana
Hi Mehmet,

It appears that the code stops after the calculation finished fine at 100 K and before moving to the next temperature of 150 K. As you can see in the output file, the estimated Tc is below 150, so you can first check what happens when you used smaller steps for the temperature.

The code may crash since tempsmax = 250.000 K is larger than Allen-Dynes Tc = 138.791 K

Please also check the link below to the reply by Hari to a similar question you posted recently.

viewtopic.php?f=6&t=1338

Best,
Roxana

Re: EPW crashes during anisotropic calculation

Posted: Sun Dec 06, 2020 11:59 pm
by mdogan
Dear Roxana,

Thank you for your answer! I didn't think that was the error because the code didn't seem to save one of the files from T = 100 K, but you're probably right. I will rerun with temperatures smaller than the Allen–Dynes Tc, and hopefully that should solve it.

Best,
Mehmet