[Pw_forum] Band parallelization of EXX ACE in QE 6.1

WF kalamaillist at gmail.com
Mon Jul 17 23:49:16 CEST 2017

Dear everyone,

         I am trying the new EXX-ACE in QE6.1 on a system consists of 215
atoms, and 933 electrons of spin up and 932 down, gamma point only. When no
parallelization level is specified in the command line, it runs well. With
-nb 2, it runs much faster with the same result. But with -nb 4, it gives a
wrong result in the first iteration of EXX and everything followed is wrong.
Is there any restriction of the band parallelization here? Thanks.


Best regards,



Dr. Feng Wu

Postdoctoral researcher

Department of Chemistry and Biochemistry

University of California, Santa Cruz

Phone: 831-459-2874


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170717/673c0950/attachment.html>

More information about the users mailing list