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,
Feng
--------------------------------------------------
Dr. Feng Wu
Postdoctoral researcher
Department of Chemistry and Biochemistry
University of California, Santa Cruz
Phone: 831-459-2874
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