[Wien] Mysterious errors parallel jobs

[Peter Blaha]

Everything is fine.
It is the default behavior of wien2k, that during running a  dummy error 
message is printed. When the step completes, the error file gets zero size.

Suppose, the jobstep is killed by the OS (eg. out of memory,..) or by 
the user, then the starting shell script (run_lapw) can find out if the 
step crashed (or was killed) or finished properly.

Am 13.05.2024 um 20:24 schrieb Straus, Daniel B:
> Hi,
> 
> I am trying to run WIEN2k 23.2 on a Slurm cluster using a modified 
> version of the example scripts to make the .machines file.
> 
> The jobs seem to be running okay, but there are nondescript messages in 
> the .error files I am trying to figure out.
> 
> For instance, when running a 4 node job with parallel LAPW0, as soon as 
> the job starts, lapw0.error shows “Error in LAPW0”, but the job keeps 
> running, and when LAPW0 completes, lapw0.error is blank. Similarly, as 
> soon as LAPW1 starts, uplapw1_1.error shows “Error in LAPW1” (but 
> uplapw1_2, _3, and _4 are blank), and uplapw1.error shows “**  Error in 
> Parallel LAPW1”. However, the job steps keep running, and I cannot find 
> any more descriptive error messages. Stdout shows no printed error 
> messages—for LAPW0, the only message printed to stdout is LAPW0 END.
> 
> Any suggestions on where I should look to find the specific error that 
> is occurring? I looked through the output files and found nothing
> 
> Daniel Straus
> 
> Assistant Professor
> 
> Department of Chemistry
> 
> Tulane University
> 
> 5088 Percival Stern Hall
> 
> 6400 Freret Street
> 
> New Orleans, LA 70118
> 
> (504) 862-3585
> 
> http://straus.tulane.edu/ <http://straus.tulane.edu/>
> 
> 
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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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