[Wien] lapw1.def failed

[Fecher, Gerhard]

Not to forget: where is the structure coming from ?

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Physics
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Lyudmila Dobysheva via Wien [wien at zeus.theochem.tuwien.ac.at]
Gesendet: Samstag, 16. Dezember 2023 12:02
An: wien at zeus.theochem.tuwien.ac.at
Cc: Lyudmila Dobysheva
Betreff: Re: [Wien] lapw1.def failed

16.12.2023 10:37, shamik chakrabarti wrote:
> At the 7th cycle I got the following error;
>     stop error
> error: command   /home/akt/Desktop/Shamik_Installation/Wien2k/lapw1c
> lapw1.def   failed
>  >   lapw1     -c (02:25:39) 737.008u 71.143s 5:39.69 237.9% 0+0k
> 1064+165016io 8pf+0w
>  >   lapw0     (02:24:23) 176.006u 3.565s 1:16.19 235.6% 0+0k
> 4264+103984io 22pf+0w
> In error file it is written as "Error in LAPW1"

Failed here not lapw1.def, but command lapw1c with a standard argument
lapw1.def
You gave too little information. There should be some info, maybe in
case.dayfile, or .output1, :log
Is it in parallel mode or not?
Try to repeat in terminal the command
x lapw1 -c
sometimes its output is more informative.
What are other settings? case.in* files?
Check what happened in the first six iterations and compare the outputs
with those in the 7th.
Was computer well at that time? maybe some accident problem occurred?
Does the stop repeat at the same place?
and so long, and so forth...

Best wishes
Lyudmila Dobysheva
------------------
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Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
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Russia
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