[Wien] Terminal closes automatically and the job terminates.

[Peter Blaha]

I'm using a tcsh. There you would detach a job from the terminal using:

run_lapw ... >& STDOUT &

The job will continue, even if the terminal closes. All output and 
errors are directed into a file called STDOUT, which you can view 
whenever you want.

There must be something similar for the bash shell.

PS: As was mentioned before: Why are you using 500 k-points for a cell 
with 300 atoms ??

There is a good reason to upgrade to wien2k_23.2. The new init_lapw 
would automatically choose a reasonable number of k-points. Depending on 
the selected precision (-prec 0-3(n)) eventually ONE k-point is enough 
for the scf cycle.

Also the RKMAX would be set properly, you probably run with a much too 
large value.


Am 13.09.2023 um 18:58 schrieb Pranjal Nandi:
>
> Dear Member,
>
> Hello.
>
> My WIEN2k version is 21.1
>
> I am running a simulation on a supercell containing about 300 atoms 
> which I expect to run for days (2 days maybe).  Using 500 K points.
>
> However, even if I use the nohup command, the terminal automatically 
> closes after an hour or so and the job also terminates abruptly.
>
> May I please know what could be the possible reasons behind it? In 
> case additional information is needed, please let me know.
>
> Thank you.
>
> With warm regards,
>
> Pranjal
>
>
>
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email:peter.blaha at tuwien.ac.at           
WWW:http://www.imc.tuwien.ac.at       WIEN2k:http://www.wien2k.at
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