environment Module Reference

Sets up and terminates the global environment variables. More...

Functions/Subroutines
subroutine, public	cp2k_init (para_env, output_unit, globenv, input_file_name, wdir)
	Initializes a CP2K run (setting of the global environment variables) More...
subroutine, public	cp2k_read (root_section, para_env, globenv)
	read part of cp2k_init More...
subroutine, public	cp2k_setup (root_section, para_env, globenv)
	globenv initializations that need the input and error More...
subroutine, public	cp2k_get_walltime (section, keyword_name, walltime)
	reads the Walltime also in format HH:MM:SS More...
subroutine, public	cp2k_finalize (root_section, para_env, globenv, wdir, q_finalize)
	Writes final timings and banner for CP2K. More...

Detailed Description

Sets up and terminates the global environment variables.

History

• Merged with Quickstep MODULE start_program_run (17.01.2002,MK)
• Compile information added (16.01.2002,MK)
• Merged with MODULE cp2k_input, some rearrangements (30.10.2002,MK)
• Update seed input (24.10.2016,MK)

Author

JGH,MK

Function/Subroutine Documentation

cp2k_init()

subroutine, public environment::cp2k_init	(	type(mp_para_env_type), pointer	para_env,
		integer	output_unit,
		type(global_environment_type), pointer	globenv,
		character(len=*)	input_file_name,
		character(len=*), optional	wdir
	)

Initializes a CP2K run (setting of the global environment variables)

Parameters

para_env	...
output_unit	...
globenv	...
input_file_name	...
wdir	...

History

JGH (28.11.2001) : default for pp_library_path

• print keys added (17.01.2002, MK)
• merged with cp2k_input (30.10.2002,MK)

Author

JGH,MK

Definition at line 146 of file environment.F.

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cp2k_read()

subroutine, public environment::cp2k_read	(	type(section_vals_type), pointer	root_section,
		type(mp_para_env_type), pointer	para_env,
		type(global_environment_type), pointer	globenv
	)

read part of cp2k_init

Parameters

root_section	...
para_env	...
globenv	the globenv

Author

fawzi

Note

The following routines need to be synchronized wrt. adding/removing of the default environments (logging, performance,error): environment:cp2k_init, environment:cp2k_finalize, f77_interface:f_env_add_defaults, f77_interface:f_env_rm_defaults, f77_interface:create_force_env, f77_interface:destroy_force_env

Definition at line 346 of file environment.F.

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cp2k_setup()

subroutine, public environment::cp2k_setup	(	type(section_vals_type), pointer	root_section,
		type(mp_para_env_type), pointer	para_env,
		type(global_environment_type), pointer	globenv
	)

globenv initializations that need the input and error

Parameters

root_section	...
para_env	...
globenv	the global environment to initialize

Author

fawzi

Note

if possible do the initializations here as the environment (error,...) is setup, instead of cp2k_init

Definition at line 415 of file environment.F.

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cp2k_get_walltime()

subroutine, public environment::cp2k_get_walltime	(	type(section_vals_type), pointer	section,
		character(len=*), intent(in)	keyword_name,
		real(kind=dp), intent(out)	walltime
	)

reads the Walltime also in format HH:MM:SS

Parameters

section	...
keyword_name	...
walltime	...

History

none

Author

Mandes

Definition at line 1165 of file environment.F.

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cp2k_finalize()

subroutine, public environment::cp2k_finalize	(	type(section_vals_type), pointer	root_section,
		type(mp_para_env_type), pointer	para_env,
		type(global_environment_type), pointer	globenv,
		character(len=*), optional	wdir,
		logical, intent(in), optional	q_finalize
	)

Writes final timings and banner for CP2K.

Parameters

root_section	...
para_env	...
globenv	...
wdir	...
q_finalize	...

History

none

Author

JGH,MK

Note

The following routines need to be synchronized wrt. adding/removing of the default environments (logging, performance,error): environment:cp2k_init, environment:cp2k_finalize, f77_interface:f_env_add_defaults, f77_interface:f_env_rm_defaults, f77_interface:create_force_env, f77_interface:destroy_force_env

Definition at line 1207 of file environment.F.

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