[Wien] All calculations are stopped due to stop error

[Oleg Rubel]

The fact that _all_ your jobs terminated at the same time indicates that 
the reason is likely outside of Wien2k. I will describe how would I 
approach this problem.

The error file is not always informative. It is created for each 
executable when starting and is cleaned up upon its successful 
completion. While a program is running (for instance lapw1) the 
corresponding error file is not empty, it says 'Error in LAPW1'. When 
you terminate the job, say by 'kill -9' command, the error file will 
still point to LAPW1.

In order to find traces of the error, I usually execute 'ls -ltr' in the 
case directory. This command sorts the files according their 
modification date. The files at the bottom of the list (last modified) 
most likely contain some error messages.


I hope this will help
Oleg


On 13-09-17 8:19 AM, venkatesh chandragiri wrote:
> Dear sir,
>
> I am using departmental server computer system where many number of
> calculations due to other programmes are going on in daily. In this, i
> am also doing calculations using Wien2k. It is a serial processing
> system and i started 5 calculations using different folders (different
> sessions). Suddenly, my all calculations are  stopped in the middle
> after running few scf cycles and saying that "Stop error" in <show day
> file>. In "up/dn lapw1" error files, it is showing error in LAPW1 (does
> not giving any extra information why it got stopped).
>
> Is this error has any relation with storage capacity and memory usage of
> the computer..? Because, i have seen that the calculations placed by
> others have taken all 100 % CPU memory while running.
>
> I have gone through the wien2k mailing list fairly but i have not seen
> any discussion about this type of error. Kindly, help me to guess the
> error and the possible solution.
>
> thanking you and looking forward to your answer.
>
> regards,
>
> Ch. Venkatesh,
> C/o. Prof. V. Srinivas,
> Department of Physics & Meteorology,
> IIT Kharagpur.
> ph: +919445909693
>
>
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