[Wien] shell script issue

[Laurence Marks]

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
"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
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>
> --
> --------------------------------------------------------------------------
> 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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