Resolve the segmentation fault occurring in the pw float implementation

[A-006]

Linked Issue

Fix #6111

Unit Tests and/or Case Tests for My Changes

• Added unit tests for the pw_basis float type.
• Included integration tests for the pw_basis float type.

What's Changed?

• Fixed a bug in the runtime handling of the pw_basis float type.
• Enabled GPU support for pw_basis without requiring the compilation flag ENABLE_FFTW_FLOAT.
• ATTENTION!!! In order to reduce the test time of the GPU/CPU,i just add the PW_CG PW_CG_GPU float type to test the float version FFT can be normally used.

[kogareru1z]

Could you please fix the single-precision calculation issue for the LCAO basis? When I tested with ABACUS 3.9.0.3, I encountered the same problem as with PW, but the error does not occur in version 3.10.

[A-006]

Could you please fix the single-precision calculation issue for the LCAO basis? When I tested with ABACUS 3.9.0.3, I encountered the same problem as with PW, but the error does not occur in version 3.10.

Alright, I'll try to address this issue later. However, I recall that the LCAO basis does not support a single version; I will verify this information

[A-006]

Could you please fix the single-precision calculation issue for the LCAO basis? When I tested with ABACUS 3.9.0.3, I encountered the same problem as with PW, but the error does not occur in version 3.10.

Currently, the LCAO does not support a single version. Could you please inform me whether you intend to use the GPU LCAO single? Actually, this feature will be implemented by my partner. After the pull request (PR) is merged, you will be able to set the GPU LCAO to single; however, in reality, it will run as GPU LCAO double.

[kogareru1z]

Could you please fix the single-precision calculation issue for the LCAO basis? When I tested with ABACUS 3.9.0.3, I encountered the same problem as with PW, but the error does not occur in version 3.10.

Currently, the LCAO does not support a single version. Could you please inform me whether you intend to use the GPU LCAO single? Actually, this feature will be implemented by my partner. After the pull request (PR) is merged, you will be able to set the GPU LCAO to single; however, in reality, it will run as GPU LCAO double.

I tested version 3.10 in single precision, but it still runs in double precision. If that’s the case, I don’t need this feature right now. Thank you.