LIBMBD PARALLEL MODE: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 6: Line 6:
Description: {{TAG|LIBMBD_PARALLEL_MODE}} selects the parallelization scheme used in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}.
Description: {{TAG|LIBMBD_PARALLEL_MODE}} selects the parallelization scheme used in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}.
----
----
{{TAG|LIBMBD_PARALLEL_MODE}} allows to choose the parallelization scheme used for the methods implemented in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''parallel_mode''' described at the page {{cite|libmbd_input}}.
{{TAG|LIBMBD_PARALLEL_MODE}} allows to choose the parallelization scheme used in the library libMBD of many-body dispersion methods{{cite|libmbd_1}}{{cite|libmbd_2}}{{cite|hermann:jcp:2023}}. The value is internally passed to the libMBD input '''parallel_mode''' described at the page {{cite|libmbd_input}}.
{{NB|important| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD|-DLIBMBD]].}}
{{NB|important| This feature is available from VASP.6.5.0 onwards that needs to be compiled with [[Precompiler_options#-DLIBMBD|-DLIBMBD]].}}
libMBD is a separate library package that has to be downloaded{{cite|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29|links to the libraries]].
libMBD is a separate library package that has to be downloaded{{cite|libmbd_2}} and compiled before VASP is compiled with the corresponding [[Precompiler_options#-DLIBMBD|precompiler options]] and [[Makefile.include#LIBMBD_.28optional.29|links to the libraries]].

Revision as of 16:00, 8 February 2024

LIBMBD_PARALLEL_MODE = auto | kpoints | atoms 

Default: LIBMBD_PARALLEL_MODE=auto (default in libMBD)

Description: LIBMBD_PARALLEL_MODE selects the parallelization scheme used in the library libMBD of many-body dispersion methods[1][2][3].


LIBMBD_PARALLEL_MODE allows to choose the parallelization scheme used in the library libMBD of many-body dispersion methods[1][2][3]. The value is internally passed to the libMBD input parallel_mode described at the page [4].

Important: This feature is available from VASP.6.5.0 onwards that needs to be compiled with -DLIBMBD.

libMBD is a separate library package that has to be downloaded[2] and compiled before VASP is compiled with the corresponding precompiler options and links to the libraries.

Related tags and articles

LIBMBD_METHOD

Examples that use this tag

References