[Thermo_pw-forum] Error in running mur_lc_t

Pooja Vyas poojavyas595 at gmail.com
Sat Oct 17 08:34:59 CEST 2020


Dear users,
I'm trying to run a script based on example23 of thermo_pw. The first step
with what=elastic_constants_t runs successfully but the second step with
what=mur_lc_t shows the following error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         2
     from linsolvms : error #         3
     error in solving
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

So, to check, I tried to run my script using variables based on example22
of thermo_pw. But it showed the following error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         1
     from find_quartic_extremum : error #         1
     extremum not found
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

The above two runs were made on cluster. However, example22 being
comparatively less bulky, I also tried running it on my personal system,
and no error was faced during it. But, example23 being time consuming, I
cannot test it on my personal system.
Can anyone let me know why I face such errors? Could it be due to any
installation issue? If yes, why were there no errors while performing step1?
Any kind of help is appreciated.
Thanks.
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