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About the -Duse_bse_te option in vasp.6.5.0.
Posted: Sun Dec 22, 2024 5:41 am
by 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
Re: About the -Duse_bse_te option in vasp.6.5.0.
Posted: Mon Dec 23, 2024 12:48 pm
by 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.
Re: About the -Duse_bse_te option in vasp.6.5.0.
Posted: Mon Dec 23, 2024 2:09 pm
by hszhao.cn@gmail.com
Dear alexey.tal,
Thank you very much for your comments. I see.
Regards,
Zhao