[Wien] Exit code "0" for LAPW1 with an error

[Peter Blaha]

Exactly.
In run_lapw we define an alias (tcsh syntax, in bash it is slightly 
different) like:

alias   testerror       'if (! -z \!:1.error) goto error'

and with
x lapw1
testerror lapw1

you can catch a problem.
Instead of "goto error" you could also do something else.

PS: Most of our shell scripts exit with an error code when a real error 
came up. This can be catched with     echo $status


Am 08.09.2020 um 20:38 schrieb Yundi Quan:
> The simplest way that I can think of is to check whether the lawp1.error 
> file is empty or not after executing x lapw1. If it is empty after 
> executing 'x lapw1', then lapw1 terminates without any errors. If it is 
> not, then lapw1 terminates with error(s).
> 
> On Tue, Sep 8, 2020 at 2:23 PM Rubel, Oleg <rubelo at mcmaster.ca 
> <mailto:rubelo at mcmaster.ca>> wrote:
> 
>     Dear WIEN2k community,
> 
>     suppose we have a code that includes a sequence of commands. Before
>     running the next command, I would like to check if the previous one
>     completed successfully. It is convenient to use exit codes for that
>     purpose. Here is a small example in bash (looking for a file that
>     does not exist):
> 
>     [rubel at gra-login3 lambda1]$ ls oleg
>     ls: cannot access 'oleg': No such file or directory
>     [rubel at gra-login3 lambda1]$ echo $?
>     2
> 
>     Here "echo $?" returns the exit code of a previous command. If it is
>     not "0", there is a problem (like in this case, there is no "oleg"
>     file).
> 
>     Now I try to apply the same strategy to WIEN2k:
> 
>     [rubel at gra-login3 lambda1]$ x lapw1
>     LAPW1 - Error
>     0.001u 0.018s 0:00.06 16.6%     0+0k 23592+16io 67pf+0w
>     [rubel at gra-login3 lambda1]$ echo $?
>     0
> 
>     This is an unexpected result. The exist status is OK in spite of the
>     fact that LAPW1 exited with an error. Of course, there are error
>     files created for each program + spin up/dn (even process for
>     parallel calculations). But it can be quite elaborate to search
>     through them, and it depends on whether you run lapw1 or lapw2, etc.
> 
>     I wonder if there is a _simple_ alternative way for sensing an
>     error? Also message is not always "XXXXX - Error". It can be
>     different (e.g., segmentation fault).
> 
>     Thank you in advance
>     Oleg
> 
>     --
>     Oleg Rubel (PhD, PEng)
>     Department of Materials Science and Engineering
>     McMaster University
>     JHE 359, 1280 Main Street West, Hamilton, Ontario L8S 4L8, Canada
>     Email: rubelo at mcmaster.ca <mailto:rubelo at mcmaster.ca>
>     Tel: +1-905-525-9140, ext. 24094
>     Web: http://olegrubel.mcmaster
> 
> 
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-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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