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.bl...@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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