ELPH WF REDISTRIBUTE: Difference between revisions
(Created page with "{{DISPLAYTITLE:ELPH_WF_REDISTRIBUTE}} {{TAGDEF|ELPH_WF_REDISTRIBUTE|[logical]| .FALSE.}} Description: After determining which electronic states need to be computed, this option redistributes the workload among CPUs. {{Available|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. When {{TAG|ELPH_MODE}} = TRANSPORT, the default val...") |
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Description: | Description: | ||
After | After computing the electronic states, redistribute them among the CPUs such that the workload to compute the electron self-energy is similar among the different CPUs. | ||
{{Available|6.5.0}} | {{Available|6.5.0}} | ||
---- | ---- | ||
The computational effort for each Kohn–Sham state is first estimated, and then the states are distributed among MPI ranks to | 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 is most relevant when used in combination with {{TAG|ELPH_SELFEN_IMAG_SKIP|.TRUE.}}. | ||
When {{TAG|ELPH_MODE}} = TRANSPORT, the default value is {{TAG|ELPH_WF_REDISTRIBUTE}} = .TRUE. | When {{TAG|ELPH_MODE}} = TRANSPORT, the default value is {{TAG|ELPH_WF_REDISTRIBUTE}} = .TRUE. | ||
Revision as of 13:28, 16 October 2025
ELPH_WF_REDISTRIBUTE = [logical]
Default: ELPH_WF_REDISTRIBUTE = .FALSE.
Description: After computing the electronic states, redistribute them 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 is most relevant when used in combination with ELPH_SELFEN_IMAG_SKIP = .TRUE..
When ELPH_MODE = TRANSPORT, the default value is ELPH_WF_REDISTRIBUTE = .TRUE.
Related tags and articles
ELPH_MODE, ELPH_SELFEN_IMAG_SKIP, ELPH_RUN