ELPH WF REDISTRIBUTE: Difference between revisions
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Description: | Description: | ||
After computing the electronic states, | 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. | ||
{{Available|6.5.0}} | {{Available|6.5.0}} | ||
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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 {{ | 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 {{TAGO|ELPH_SELFEN_IMAG_SKIP|.TRUE.}}. | ||
When {{ | When {{TAGO|ELPH_MODE|TRANDPORT}}, the default value is {{TAGO|ELPH_WF_REDISTRIBUTE|.TRUE.}}. | ||
==Related tags and articles== | ==Related tags and articles== | ||
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{{TAG|ELPH_RUN}} | {{TAG|ELPH_RUN}} | ||
[[Category:INCAR tag]][[Category:Electron-phonon_interactions]] | |||
Revision as of 14:32, 22 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..