[Wien] Mysterious errors parallel jobs

[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/


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