cp_external_control Module Reference

Routines to handle the external control of CP2K. More...

Functions/Subroutines
subroutine, public	set_external_comm (comm, in_external_master_id, in_scf_energy_message_tag, in_exit_tag)
	set the communicator to an external source or destination, to send messages (e.g. intermediate energies during scf) or reveive commands (e.g. aborting the calculation) More...
subroutine, public	external_control (should_stop, flag, globenv, target_time, start_time, force_check)
	External manipulations during a run : when the <PROJECT_NAME>.EXIT_$runtype command is sent the program stops at the level of $runtype when a general <PROJECT_NAME>.EXIT command is sent the program is stopped at all levels (at least those that call this function) if the file WAIT exists, the program waits here till it disappears. More...

Detailed Description

Routines to handle the external control of CP2K.

History

• Moved from MODULE termination to here (18.02.2011,MK)
• add communication control (20.02.2013 Mandes)

Author

Marcella Iannuzzi (10.03.2005,MI)

Function/Subroutine Documentation

set_external_comm()

subroutine, public cp_external_control::set_external_comm	(	class(mp_comm_type), intent(in)	comm,
		integer, intent(in)	in_external_master_id,
		integer, intent(in), optional	in_scf_energy_message_tag,
		integer, intent(in), optional	in_exit_tag
	)

set the communicator to an external source or destination, to send messages (e.g. intermediate energies during scf) or reveive commands (e.g. aborting the calculation)

Parameters

comm	...
in_external_master_id	...
in_scf_energy_message_tag	...
in_exit_tag	...

Author

Mandes 02.2013

Definition at line 55 of file cp_external_control.F.

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external_control()

subroutine, public cp_external_control::external_control	(	logical, intent(out)	should_stop,
		character(len=*), intent(in)	flag,
		type(global_environment_type), optional, pointer	globenv,
		real(dp), optional	target_time,
		real(dp), optional	start_time,
		logical, optional	force_check
	)

External manipulations during a run : when the <PROJECT_NAME>.EXIT_$runtype command is sent the program stops at the level of $runtype when a general <PROJECT_NAME>.EXIT command is sent the program is stopped at all levels (at least those that call this function) if the file WAIT exists, the program waits here till it disappears.

Parameters

should_stop	...
flag	...
globenv	...
target_time	...
start_time	...
force_check	...

Author

MI (10.03.2005)

Definition at line 89 of file cp_external_control.F.

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