[Wien] ** testerror: Error in Parallel LAPW

[Ilias Miroslav, doc. RNDr., PhD.]

Hello,

I am able to run serial SCF via SLURM
https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg/virgo_slurm_wien2kgnupar_fromdstart.01

but when trying parallel
https://github.com/miroi/open-collection/blob/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg/virgo_slurm_wien2kgnupar_fromdstart.02

I get lapw2.error

'LAPW2' - can't open unit: 30
'LAPW2' -        filename: LvO2onQg.energy_1
**  testerror: Error in Parallel LAPW2

The file "LvO2onQg.energy" is correct in serial mode.

Seems that LvO2onQg.energy_1 file is not produces in parallel run ?

All files are https://github.com/miroi/open-collection/tree/master/theoretical_chemistry/software/wien2k/runs/LvO2_on_small_quartz/wien2k/LvO2onQg

Best,

Miro
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