About the -Duse_bse_te option in vasp.6.5.0.

[hszhao.cn@gmail.com]

Hi there,

For the vasp.6.5.0, I noticed that the -Duse_bse_te option only appeared in the following makefile.include:

Code: Select all

werner@x13dai-t:~/Public/hpc/vasp/src/vasp.6.5.0$ ug -r Duse_bse_te arch/
arch/makefile.include.oneapi_omp_off:              -Duse_bse_te \

I am very confused. Isn't this option recommended in other makefile.include compilation settings for vasp.6.5.0?

Regards,
Zhao

[alexey.tal]

Dear Zhao,

In VASP 6.5.0 the time-evolution BSE code is always enabled, i.e., regardless of the use_bse_te flag. You don't have to include it in the makefile.include anymore. The makefile.include.oneapi_omp_off file has not been updated to reflect this change. Furthermore, makefile.include.oneapi_omp_off is indented for building VASP with OpenMP offloading, which is not yet documented and supported as of now.

[hszhao.cn@gmail.com]

Dear alexey.tal,

Thank you very much for your comments. I see.

Regards,
Zhao