[Wien] lapw1.def failed

[shamik chakrabarti]

Dear Madam & Sir,

                         The error appeared at the first cycle itself with
the following error;
STOP  LAPW0 END
Killed
grep: lapw2*.error: No such file or directory

>   stop error

What could be the remedy?

Looking forward to your reply.

with regards,

On Sat, 16 Dec 2023 at 17:08, Fecher, Gerhard <fecher at uni-mainz.de> wrote:

> 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
> ------------------
> http://ftiudm.ru/content/view/25/103/lang,english/
> Institute of Physics and Technology,
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-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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