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
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WWW: http://www.imc.tuwien.ac.at
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