[Wien] Logging output issue for parallel jobs?

[Straus, Daniel B]

Hi,

I'm running ver 23.2 on a SLURM-managed cluster. I've been looking at the :parallel file for job step timing to optimize performance.

I think there is a minor bug in the output, where it refers to lapw0 as lapw1.

Here is relevant text from a :parallel file:


starting parallel lapw1 at Wed May  1 16:25:39 CDT 2024
  2 <-  done at Wed May 1 16:25:52 CDT 2024
  3 -----------------------------------------------------------------
  4 starting parallel lapw1 at Wed May  1 16:26:18 CDT 2024
  5      cypress01-029 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cypress01-029 cyp
    ress01-029(3) 0.019u 0.056s 23:55.17 0.0%       0+0k 0+8io 0pf+0w
  6      cypress01-031 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cypress01-031 cyp
    ress01-031(2) 0.031u 0.053s 40:08.71 0.0%       0+0k 0+16io 0pf+0w
  7      cypress01-032 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cypress01-032 cyp
    ress01-032(2) 0.025u 0.066s 56:58.72 0.0%       0+0k 0+16io 0pf+0w
  8      cypress01-036 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cypress01-036 cyp
    ress01-036(2) 0.032u 0.067s 1:13:47.00 0.0%     0+0k 0+16io 0pf+0w
  9    Summary of lapw1para:
10    cypress01-029         k=3     user=0.019      wallclock=1435.17
11    cypress01-031         k=2     user=0.031      wallclock=2408.71
12    cypress01-032         k=2     user=0.025      wallclock=3418.72
13    cypress01-036         k=2     user=0.032      wallclock=73
14 <-  done at Wed May 1 17:40:07 CDT 2024
15 -----------------------------------------------------------------

The first "lapw1" should be lapw0.

A separate file called :parallel_lapw0 is also generated. This refers to lapw0 correctly.
starting parallel lapw0 at Wed May  1 16:25:52 CDT 2024
2 <-  done at Wed May 1 16:26:18 CDT 2024
3 -----------------------------------------------------------------
4 starting parallel lapw0 at Wed May  1 18:55:36 CDT 2024
5 <-  done at Wed May 1 18:56:00 CDT 2024
6 -----------------------------------------------------------------

Perhaps this is as intended, though I got confused by it.


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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