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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