[Wien] new script optimize_abc_lapw

Mikhail Nestoklon nestoklon at mail.ru
Fri Oct 15 17:28:18 CEST 2021


Dear wien2k community,
I am trying to use new script optimize_abc_lapw on a cluster. Something in its behavior in terms of computer power consumption confused me and I am checking how it actually works. I realized that  at some point (at least when ‘doing x-zchange’) it runs lapw0 and lapw1c and not lapw0_mpi, etc. The most strange part is that when it starts it correctly uses mpi versions of the programs. 
 
Is this correct behavior?
 
I run the script as ‘optimize_abc_lapw -p’ at the end of slurm script which prepares .machines file. 
The structure is hexagonal.

 
Thank you in advance.
 
Sincerely yours,
Mikhail Nestoklon
 
 
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