ELPH WF REDISTRIBUTE: Difference between revisions

From VASP Wiki
No edit summary
 
(One intermediate revision by the same user not shown)
Line 12: Line 12:
{{TAG|ELPH_MODE}},
{{TAG|ELPH_MODE}},
{{TAG|ELPH_SELFEN_IMAG_SKIP}},
{{TAG|ELPH_SELFEN_IMAG_SKIP}},
{{TAG|ELPH_RUN}}
{{TAG|ELPH_RUN}},
{{TAG|ELPH_WF_COMM_OPT}},
{{TAG|ELPH_WF_CACHE_PREFILL}}


[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]
[[Category:INCAR tag]][[Category:Electron-phonon_interactions]]

Latest revision as of 15:15, 24 October 2025

ELPH_WF_REDISTRIBUTE = [logical]
Default: ELPH_WF_REDISTRIBUTE = .FALSE. 

Description: After computing the electronic states, they are redistributed among the CPUs such that the workload to compute the electron self-energy is similar among the different CPUs.

Mind: Available as of VASP 6.5.0

The computational effort for each Kohn–Sham state is first estimated, and then the states are distributed among MPI ranks to balance the workload as evenly as possible. This redistribution is most relevant when used in combination with ELPH_SELFEN_IMAG_SKIP = .TRUE.. When ELPH_MODE = TRANDPORT, the default value is ELPH_WF_REDISTRIBUTE = .TRUE..

Related tags and articles

ELPH_MODE, ELPH_SELFEN_IMAG_SKIP, ELPH_RUN, ELPH_WF_COMM_OPT, ELPH_WF_CACHE_PREFILL