[Wien] Problem with k-parallel in version 24.1?

[Yichen Zhang]

Sorry, I didn’t seem to describe the problem very clearly, by mentioning sumpara. That’s just steps after the problem occurred.

Clearly speaking, it is LAPW2 crashed. 

In case.dayfile, it may show something like this at the cycle where it crashes:
      bb4u14c1 10.023u 17.606s 28.77 96.02% 0+0k 0+0io 0pf+0w
      bb4u14c1 10.081u 19.741s 30.82 96.75% 0+0k 0+0io 0pf+0w
      bb4u14c1 9.400u 20.522s 30.45 98.26% 0+0k 0+0io 0pf+0w
      bb4u14c1
      bb4u14c1 9.062u 15.463s 25.87 94.79% 0+0k 0+0io 0pf+0w
      bb4u14c1
      bb4u14c1 10.489u 16.467s 28.05 96.08% 0+0k 0+0io 0pf+0w
      bb4u14c1 9.620u 18.707s 29.74 95.25% 0+0k 0+0io 0pf+0w
      bb4u14c1 9.086u 11.575s 21.86 94.52% 0+0k 0+0io 0pf+0w
      bb4u14c1 9.446u 19.266s 30.11 95.34% 0+0k 0+0io 0pf+0w
      bb4u14c1
      bb4u14c1 9.492u 18.938s 28.82 98.63% 0+0k 0+0io 0pf+0w
      bb4u14c1 9.397u 18.628s 28.51 98.27% 0+0k 0+0io 0pf+0w
      bb4u15c1 8.589u 1.396s 10.25 97.33% 0+0k 0+0io 0pf+0w
      bb4u16c1 8.436u 1.464s 10.72 92.27% 0+0k 0+0io 0pf+0w
      bb4u17c1 8.675u 1.458s 10.80 93.80% 0+0k 0+0io 0pf+0w
      bb4u18c1 8.857u 1.384s 10.55 97.06% 0+0k 0+0io 0pf+0w
      bb4u19c1 8.542u 1.441s 10.64 93.82% 0+0k 0+0io 0pf+0w
      bb4u20c1 8.505u 1.509s 10.77 92.90% 0+0k 0+0io 0pf+0w
   Summary of lapw2para:
   bb4u14c1      user=452.054    wallclock=84644
   bb4u15c1      user=8.589      wallclock=712.33
   bb4u16c1      user=8.436      wallclock=735.47
   bb4u17c1      user=8.675      wallclock=741.8
   bb4u18c1      user=8.857      wallclock=730.06
   bb4u19c1      user=8.542      wallclock=732.22
   bb4u20c1      user=8.505      wallclock=739.1
**  LAPW2 crashed!
3.440u 20.832s 1:12.41 33.5%    0+0k 0+67272io 12pf+0w
error: command   /home/yz155/WIEN2k_24.1/lapw2cpara -dn -c dnlapw2.def   failed

>   stop error

As one can see for example, some cores on node bb4u14c1 did not run its lapw2 -dn job, therefore no corresponding scf2dn file produced. The dnlapw2 def files were produced though.


Best regards
Yichen
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