[Wien] Lapw0 parallel

Wangwei Lan wl13c at my.fsu.edu
Fri Jun 24 15:53:12 CEST 2016


Dear WIEN2K user,

I am now doing parallel calculation on lapw0, one thing I notice is that,
lapw0 is only paralleled over atoms, as discussed here

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg06622.html


In my case, I have a 4x4x4 supercell, and in total 128 atoms, so that
requires 128 cores. However, it's seems impossible for me to use so many
cores at this time. Is my understanding correct on this issue?

Does anyone have a good idea on how to solve this problem?  Thanks in
advance.

Best Regards
Wangwei Lan
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