problem with xsf writing in parallel

wannier-developers / wannier90

Official repository of the Wannier90 code

http://www.wannier.org

GNU General Public License v2.0

234 stars 138 forks source link

Closed pleoluxbg closed 4 months ago

pleoluxbg commented 7 months ago

XSF files are incorrectly scaled by number of processors when wannier90.x (develop branch) run in parallel (although u matrices are identical).

JeromeCCP9 commented 7 months ago

Looks like an incorrect MPI reduction of the RS Wannier functions. I'll check it out.

JeromeCCP9 commented 7 months ago

I pushed a change to c-for-gc that should fix this issue. Please can you test commit c7eb18ac and confirm this is resolved? J.

pleoluxbg commented 7 months ago

that's great. Thank you very much