[Wien] shell script issue

[pluto]

Dear All,

This issue seems to be related to the terminal process.

I typically run the shell script from the remote terminal, and then at 
some point the terminal window from which I run it is terminated. (I 
typically use putty in Windows 10, but I don't think this is important).

When the terminal window is terminated, then the problem with the script 
happens (i.e. all remaining steps start at once).

The solution is to use tmux terminal emulator inside the terminal (just 
type tmux, and then a kind of new shell appears in the same directory as 
before). Then one simply runs the shell script within the tmux 
environment. Then one should hard close the terminal (e.g. terminate the 
putty). Then everything works fine.

There are probably more proper ways of solving this, but this one works 
for me and it is easy.

Best,
Lukasz




On 2023-04-20 15:57, Laurence Marks wrote:
> As an addition to what Peter said, did you check the error files, e.g.
> cat *.error?
> 
> ---
> Professor Laurence Marks (Laurie)
> Department of Materials Science and Engineering
> Northwestern University
> www.numis.northwestern.edu [1]
> "Research is to see what everybody else has seen, and to think what
> nobody else has thought" Albert Szent-Györgyi
> 
> On Thu, Apr 20, 2023, 08:51 Peter Blaha <peter.blaha at tuwien.ac.at>
> wrote:
> 
>> If this is really your script, it should not happen. Your script is
>> course ok (although I'm not a bash specialist).
>> 
>> Maybe some bug in your Linux ?
>> 
>> alternatively, change to first line of your script to /bin/csh -f or
>> 
>> /bin/tcsh -f
>> 
>> and see what happens.
>> 
>> Am 20.04.2023 um 12:19 schrieb pluto via Wien:
>>> Dear All,
>>> 
>>> I would like to calculate the sequence of programs to get the band
>> 
>>> characters under bash:
>>> 
>>> calculate_bands.sh
>>> 
>>> #! /bin/bash
>>> x lapw1 -band -up -p
>>> x lapw1 -band -dn -p
>>> x lapwso -up -p
>>> x qtl -band -so -p -up
>>> x qtl -band -so -p -dn
>>> 
>>> I run this from the terminal under Rocky Linux using
>>> 
>>> calculate_bands.sh &
>>> 
>>> Here is the result:
>>> 
>>> Thu Apr 20 01:03:29 AM CEST 2023> (x) lapw1 -band -up -p
>>> Thu Apr 20 02:18:29 AM CEST 2023> (x) lapw1 -band -dn -p
>>> Thu Apr 20 02:18:29 AM CEST 2023> (x) lapwso -up -p
>>> Thu Apr 20 02:18:29 AM CEST 2023> (x) qtl -band -so -p -up
>>> Thu Apr 20 02:18:29 AM CEST 2023> (x) lapw2 -p -fermi -so -up
>>> Thu Apr 20 02:18:29 AM CEST 2023> (x) qtl -band -so -p -dn
>>> Thu Apr 20 02:18:29 AM CEST 2023> (x) lapw2 -p -fermi -so -dn
>>> 
>>> As you can see the first lapw1 run correctly, it took over one
>> hour to
>>> calculate 2500 k-points. But then all other programs started
>>> simultaneously, obviously this is wrong. I apologize in advance
>> for my
>>> inexperience with shell scripts.
>>> 
>>> I am sure there must be a simple fix!
>>> 
>>> Best,
>>> Lukasz
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>> SEARCH the MAILING-LIST at:
>>> 
>> 
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>> 
>> --
>> 
> --------------------------------------------------------------------------
>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>> Phone: +43-1-58801-165300
>> Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
>> WWW:   http://www.imc.tuwien.ac.at
>> 
> -------------------------------------------------------------------------
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>> 
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> 
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