Fix the bug that the Wannier90 interface does not report error informations when reading files under MPI. #3563

jingan-181 · 2024-01-28T13:55:57Z

Fix the bug that the Wannier90 interface does not report error informations when reading files under MPI.

Have you linked an issue with this pull request?
Have you noticed possible changes of behavior below or in the linked issue?
Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Example: My changes might affect the performance of the application under certain conditions, and I have tested the impact on various scenarios...

…ations when reading files under MPI.

source/module_io/to_wannier90.cpp

dyzheng

LGTM

Fix the bug that the Wannier90 interface does not report error inform…

f3b5d4f

…ations when reading files under MPI.

jingan-181 requested a review from dyzheng January 28, 2024 13:56

Shen-Zhen-Xiong mentioned this pull request Jan 29, 2024

wannier90 for LCAO can not running in nscf #3505

Closed

16 tasks

mohanchen requested review from Liu-RX and removed request for dyzheng January 29, 2024 03:08

Liu-RX reviewed Jan 29, 2024

View reviewed changes

source/module_io/to_wannier90.cpp Outdated Show resolved Hide resolved

jingan-181 and others added 3 commits January 29, 2024 14:55

Remove the __MPI macro definition under the out_eig function

861aa46

Update to_wannier90.cpp

53ea503

Merge branch 'develop' into develop

7686efe

jingan-181 requested a review from Liu-RX January 31, 2024 03:40

Merge branch 'develop' into develop

8aa7dee

Liu-RX approved these changes Feb 1, 2024

View reviewed changes

jingan-181 requested a review from Liu-RX February 1, 2024 08:46

Liu-RX approved these changes Feb 1, 2024

View reviewed changes

dyzheng approved these changes Feb 1, 2024

View reviewed changes

dyzheng merged commit 53929eb into deepmodeling:develop Feb 1, 2024
11 checks passed

Provide feedback