Interface to the message passing library MPI. More...

Functions/Subroutines
subroutine, public	mp_world_init (mp_comm)
	initializes the system default communicator More...

subroutine, public	mp_world_finalize ()
	finalizes the system default communicator More...

subroutine, public	mp_abort ()
	globally stops all tasks this is intended to be low level, most of CP2K should call cp_abort() More...

subroutine, public	mp_para_env_create (para_env, group)
	creates a new para environment More...

subroutine, public	mp_para_env_release (para_env)
	releases the para object (to be called when you don't want anymore the shared copy of this object) More...

subroutine, public	mp_para_cart_create (cart, group)
	creates a cart (multidimensional parallel environment) More...

subroutine, public	mp_para_cart_release (cart)
	releases the given cart More...

subroutine, public	mp_dims_create (nodes, dims)
	wrapper to MPI_Dims_create More...

subroutine, public	mp_waitany (requests, completed)
	waits for completion of any of the given requests More...

integer function, public	mp_get_node_global_rank ()
	Get the local rank on the node according to the global communicator. More...

subroutine, public	mp_get_library_version (version, resultlen)
	Get Version of the MPI Library (MPI 3) More...

subroutine, public	mp_file_delete (filepath, info)
	Deletes a file. Auxiliary routine to emulate 'replace' action for mp_file_open. Only the master processor should call this routine. More...

subroutine, public	mp_type_size (type_descriptor, type_size)
	Returns the size of a data type in bytes. More...

type(mp_file_descriptor_type) function, public	mp_file_type_hindexed_make_chv (count, lengths, displs)
	Creates an indexed MPI type for arrays of strings using bytes for spacing (hindexed type) More...

subroutine, public	mp_file_type_set_view_chv (fh, offset, type_descriptor)
	Uses a previously created indexed MPI character type to tell the MPI processes how to partition (set_view) an opened file. More...

subroutine, public	mp_file_type_free (type_descriptor)
	Releases the type used for MPI I/O. More...

subroutine, public	mp_file_get_amode (mpi_io, replace, amode, form, action, status, position)
	(parallel) Utility routine to determine MPI file access mode based on variables More...

type(mp_type_descriptor_type) function, public	mp_type_indexed_make_d (count, lengths, displs)
	... More...

type(mp_type_descriptor_type) function, public	mp_type_indexed_make_r (count, lengths, displs)
	... More...

type(mp_type_descriptor_type) function, public	mp_type_indexed_make_z (count, lengths, displs)
	... More...

type(mp_type_descriptor_type) function, public	mp_type_indexed_make_c (count, lengths, displs)
	... More...

Variables
logical, parameter, public	cp2k_is_parallel = .FALSE.

integer, parameter, public	mp_any_tag = -1

integer, parameter, public	mp_any_source = -2

integer, parameter, public	mp_status_size = -9

integer, parameter, public	mp_proc_null = -10

integer, parameter, public	mp_max_library_version_string = 1

integer, parameter, public	file_offset = int_8

integer, parameter, public	address_kind = int_8

integer, parameter, public	file_amode_create = 1

integer, parameter, public	file_amode_rdonly = 2

integer, parameter, public	file_amode_wronly = 4

integer, parameter, public	file_amode_rdwr = 8

integer, parameter, public	file_amode_excl = 64

integer, parameter, public	file_amode_append = 128

integer, parameter, public	mpi_character_size = 1

integer, parameter, public	mpi_integer_size = 4

type(mp_comm_type), parameter, public	mp_comm_null = mp_comm_type(mp_comm_null_handle)

type(mp_comm_type), parameter, public	mp_comm_self = mp_comm_type(mp_comm_self_handle)

type(mp_comm_type), parameter, public	mp_comm_world = mp_comm_type(mp_comm_world_handle)

type(mp_request_type), parameter, public	mp_request_null = mp_request_type(mp_request_null_handle)

type(mp_win_type), parameter, public	mp_win_null = mp_win_type(mp_win_null_handle)

type(mp_file_type), parameter, public	mp_file_null = mp_file_type(mp_file_null_handle)

type(mp_info_type), parameter, public	mp_info_null = mp_info_type(mp_info_null_handle)

integer, parameter, public	mp_comm_ident = 0

integer, parameter, public	mp_comm_congruent = 1

integer, parameter, public	mp_comm_similar = 2

integer, parameter, public	mp_comm_unequal = 3

integer, parameter, public	mp_comm_compare_default = -1

logical, save, public	mp_collect_timings = .FALSE.

Detailed Description

Interface to the message passing library MPI.

History: JGH (02-Jan-2001): New error handling Performance tools JGH (14-Jan-2001): New routines mp_comm_compare, mp_cart_coords, mp_rank_compare, mp_alltoall JGH (06-Feb-2001): New routines mp_comm_free JGH (22-Mar-2001): New routines mp_comm_dup fawzi (04-NOV-2004): storable performance info (for f77 interface) Wrapper routine for mpi_gatherv added (22.12.2005,MK) JGH (13-Feb-2006): Flexible precision JGH (15-Feb-2006): single precision mp_alltoall

Author: JGH

Function/Subroutine Documentation

◆ mp_world_init()

subroutine, public message_passing::mp_world_init ( class(mp_comm_type), intent(out) mp_comm )

initializes the system default communicator

Parameters

mp_comm [output] : handle of the default communicator

History: 2.2004 created [Joost VandeVondele ]

Note: should only be called once

Definition at line 1273 of file message_passing.F.

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◆ mp_world_finalize()

subroutine, public message_passing::mp_world_finalize

finalizes the system default communicator

History: 2.2004 created [Joost VandeVondele]

Definition at line 1385 of file message_passing.F.

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◆ mp_abort()

subroutine, public message_passing::mp_abort

globally stops all tasks this is intended to be low level, most of CP2K should call cp_abort()

Definition at line 1418 of file message_passing.F.

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◆ mp_para_env_create()

subroutine, public message_passing::mp_para_env_create	(	type(mp_para_env_type), pointer	para_env,
		class(mp_comm_type), intent(in)	group
	)

creates a new para environment

Parameters

para_env	the new parallel environment
group	the id of the actual mpi_group

History: 08.2002 created [fawzi]

Author: Fawzi Mohamed

Definition at line 2004 of file message_passing.F.

◆ mp_para_env_release()

subroutine, public message_passing::mp_para_env_release ( type(mp_para_env_type), pointer para_env )

releases the para object (to be called when you don't want anymore the shared copy of this object)

Parameters

para_env the new group

History: 08.2002 created [fawzi]

Author: Fawzi Mohamed

Note: to avoid circular dependencies cp_log_handling has a private copy of this method (see cp_log_handling:my_mp_para_env_release)!

Definition at line 2026 of file message_passing.F.

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◆ mp_para_cart_create()

subroutine, public message_passing::mp_para_cart_create	(	type(mp_para_cart_type), intent(out), pointer	cart,
		class(mp_comm_type), intent(in)	group
	)

creates a cart (multidimensional parallel environment)

Parameters

cart	the cart environment to create
group	the mpi communicator

Author: fawzi

Definition at line 2042 of file message_passing.F.

◆ mp_para_cart_release()

subroutine, public message_passing::mp_para_cart_release ( type(mp_para_cart_type), pointer cart )

releases the given cart

Parameters

cart	the cart to release

Author: fawzi

Definition at line 2059 of file message_passing.F.

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◆ mp_dims_create()

subroutine, public message_passing::mp_dims_create	(	integer, intent(in)	nodes,
		integer, dimension(:), intent(inout)	dims
	)

wrapper to MPI_Dims_create

Parameters

nodes	...
dims	...

Definition at line 2131 of file message_passing.F.

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◆ mp_waitany()

subroutine, public message_passing::mp_waitany	(	type(mp_request_type), dimension(:), intent(inout)	requests,
		integer, intent(out)	completed
	)

waits for completion of any of the given requests

Parameters

requests	...
completed	...

History: 09.2008 created

Author: Iain Bethune (c) The Numerical Algorithms Group (NAG) Ltd, 2008 on behalf of the HECToR project

Definition at line 2355 of file message_passing.F.

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◆ mp_get_node_global_rank()

integer function, public message_passing::mp_get_node_global_rank

Get the local rank on the node according to the global communicator.

Returns: Node Rank id

Author: Alfio Lazzaro

Definition at line 2725 of file message_passing.F.

◆ mp_get_library_version()

subroutine, public message_passing::mp_get_library_version	(	character(len=*), intent(out)	version,
		integer, intent(out)	resultlen
	)

Get Version of the MPI Library (MPI 3)

Parameters

[out]	version	Version of the library, declared as CHARACTER(LEN=mp_max_library_version_string)
[out]	resultlen	Length (in printable characters) of the result returned in version (integer)

Definition at line 3855 of file message_passing.F.

◆ mp_file_delete()

subroutine, public message_passing::mp_file_delete	(	character(len=*), intent(in)	filepath,
		type(mp_info_type), intent(in), optional	info
	)

Deletes a file. Auxiliary routine to emulate 'replace' action for mp_file_open. Only the master processor should call this routine.

Parameters

[in]	filepath	path to the file
[in]

Definition at line 3946 of file message_passing.F.

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◆ mp_type_size()

subroutine, public message_passing::mp_type_size	(	type(mp_type_descriptor_type), intent(in)	type_descriptor,
		integer, intent(out)	type_size
	)

Returns the size of a data type in bytes.

Parameters

[in]	type_descriptor	data type
[out]	type_size	size of the data type

MPI mapping: mpi_type_size

Definition at line 4292 of file message_passing.F.

◆ mp_file_type_hindexed_make_chv()

type(mp_file_descriptor_type) function, public message_passing::mp_file_type_hindexed_make_chv	(	integer, intent(in)	count,
		integer, dimension(1:count), intent(in), target	lengths,
		integer(kind=file_offset), dimension(1:count), intent(in), target	displs
	)

Creates an indexed MPI type for arrays of strings using bytes for spacing (hindexed type)

Parameters

count	number of array blocks to read
lengths	lengths of each array block
displs	byte offsets for array blocks

Returns: container holding the created type

Author: Nico Holmberg [05.2017]

Definition at line 4441 of file message_passing.F.

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◆ mp_file_type_set_view_chv()

subroutine, public message_passing::mp_file_type_set_view_chv	(	type(mp_file_type), intent(in)	fh,
		integer(kind=file_offset), intent(in)	offset,
		type(mp_file_descriptor_type)	type_descriptor
	)

Uses a previously created indexed MPI character type to tell the MPI processes how to partition (set_view) an opened file.

Parameters

fh	the file handle associated with the input file
offset	global offset determining where the relevant data begins
type_descriptor	container for the MPI type

Author: Nico Holmberg [05.2017]

Definition at line 4485 of file message_passing.F.

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◆ mp_file_type_free()

subroutine, public message_passing::mp_file_type_free ( type(mp_file_descriptor_type) type_descriptor )

Releases the type used for MPI I/O.

Parameters

type_descriptor the container for the MPI type

Author: Nico Holmberg [05.2017]

Definition at line 4631 of file message_passing.F.

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◆ mp_file_get_amode()

subroutine, public message_passing::mp_file_get_amode	(	logical, intent(inout)	mpi_io,
		logical, intent(inout)	replace,
		integer, intent(out)	amode,
		character(len=*), intent(in)	form,
		character(len=*), intent(in)	action,
		character(len=*), intent(in)	status,
		character(len=*), intent(in)	position
	)

(parallel) Utility routine to determine MPI file access mode based on variables

(serial) No action

Parameters

mpi_io	flag that determines if MPI I/O will actually be used
replace	flag that indicates whether file needs to be deleted prior to opening it
amode	the MPI I/O access mode
form	formatted or unformatted data?
action	the variable that determines what to do with file
status	the status flag:
position	should the file be appended or rewound

Author: Nico Holmberg [11.2017]

Definition at line 4677 of file message_passing.F.

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◆ mp_type_indexed_make_d()

type(mp_type_descriptor_type) function, public message_passing::mp_type_indexed_make_d	(	integer, intent(in)	count,
		integer, dimension(1:count), intent(in), target	lengths,
		integer, dimension(1:count), intent(in), target	displs
	)

...

Parameters

count	...
lengths	...
displs	...

Returns: ...

Definition at line 18703 of file message_passing.F.

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◆ mp_type_indexed_make_r()

type(mp_type_descriptor_type) function, public message_passing::mp_type_indexed_make_r	(	integer, intent(in)	count,
		integer, dimension(1:count), intent(in), target	lengths,
		integer, dimension(1:count), intent(in), target	displs
	)

...

Parameters

count	...
lengths	...
displs	...

Returns: ...

Definition at line 23410 of file message_passing.F.

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◆ mp_type_indexed_make_z()

type(mp_type_descriptor_type) function, public message_passing::mp_type_indexed_make_z	(	integer, intent(in)	count,
		integer, dimension(1:count), intent(in), target	lengths,
		integer, dimension(1:count), intent(in), target	displs
	)

...

Parameters

count	...
lengths	...
displs	...

Returns: ...

Definition at line 28117 of file message_passing.F.

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◆ mp_type_indexed_make_c()

type(mp_type_descriptor_type) function, public message_passing::mp_type_indexed_make_c	(	integer, intent(in)	count,
		integer, dimension(1:count), intent(in), target	lengths,
		integer, dimension(1:count), intent(in), target	displs
	)

...

Parameters

count	...
lengths	...
displs	...

Returns: ...

Definition at line 32824 of file message_passing.F.

Variable Documentation

◆ cp2k_is_parallel

logical, parameter, public message_passing::cp2k_is_parallel = .FALSE.

Definition at line 143 of file message_passing.F.

◆ mp_any_tag

integer, parameter, public message_passing::mp_any_tag = -1

Definition at line 144 of file message_passing.F.

◆ mp_any_source

integer, parameter, public message_passing::mp_any_source = -2

Definition at line 145 of file message_passing.F.

◆ mp_status_size

integer, parameter, public message_passing::mp_status_size = -9

Definition at line 154 of file message_passing.F.

◆ mp_proc_null

integer, parameter, public message_passing::mp_proc_null = -10

Definition at line 155 of file message_passing.F.

◆ mp_max_library_version_string

integer, parameter, public message_passing::mp_max_library_version_string = 1

Definition at line 156 of file message_passing.F.

◆ file_offset

integer, parameter, public message_passing::file_offset = int_8

Definition at line 158 of file message_passing.F.

◆ address_kind

integer, parameter, public message_passing::address_kind = int_8

Definition at line 159 of file message_passing.F.

◆ file_amode_create

integer, parameter, public message_passing::file_amode_create = 1

Definition at line 160 of file message_passing.F.

◆ file_amode_rdonly

integer, parameter, public message_passing::file_amode_rdonly = 2

Definition at line 161 of file message_passing.F.

◆ file_amode_wronly

integer, parameter, public message_passing::file_amode_wronly = 4

Definition at line 162 of file message_passing.F.

◆ file_amode_rdwr

integer, parameter, public message_passing::file_amode_rdwr = 8

Definition at line 163 of file message_passing.F.

◆ file_amode_excl

integer, parameter, public message_passing::file_amode_excl = 64

Definition at line 164 of file message_passing.F.

◆ file_amode_append

integer, parameter, public message_passing::file_amode_append = 128

Definition at line 165 of file message_passing.F.

◆ mpi_character_size

integer, parameter, public message_passing::mpi_character_size = 1

Definition at line 170 of file message_passing.F.

◆ mpi_integer_size

integer, parameter, public message_passing::mpi_integer_size = 4

Definition at line 171 of file message_passing.F.

◆ mp_comm_null

type(mp_comm_type), parameter, public message_passing::mp_comm_null = mp_comm_type(mp_comm_null_handle)

Definition at line 811 of file message_passing.F.

◆ mp_comm_self

type(mp_comm_type), parameter, public message_passing::mp_comm_self = mp_comm_type(mp_comm_self_handle)

Definition at line 812 of file message_passing.F.

◆ mp_comm_world

type(mp_comm_type), parameter, public message_passing::mp_comm_world = mp_comm_type(mp_comm_world_handle)

Definition at line 813 of file message_passing.F.

◆ mp_request_null

type(mp_request_type), parameter, public message_passing::mp_request_null = mp_request_type(mp_request_null_handle)

Definition at line 814 of file message_passing.F.

◆ mp_win_null

type(mp_win_type), parameter, public message_passing::mp_win_null = mp_win_type(mp_win_null_handle)

Definition at line 815 of file message_passing.F.

◆ mp_file_null

type(mp_file_type), parameter, public message_passing::mp_file_null = mp_file_type(mp_file_null_handle)

Definition at line 816 of file message_passing.F.

◆ mp_info_null

type(mp_info_type), parameter, public message_passing::mp_info_null = mp_info_type(mp_info_null_handle)

Definition at line 817 of file message_passing.F.

◆ mp_comm_ident

integer, parameter, public message_passing::mp_comm_ident = 0

Definition at line 826 of file message_passing.F.

◆ mp_comm_congruent

integer, parameter, public message_passing::mp_comm_congruent = 1

Definition at line 827 of file message_passing.F.

◆ mp_comm_similar

integer, parameter, public message_passing::mp_comm_similar = 2

Definition at line 828 of file message_passing.F.

◆ mp_comm_unequal

integer, parameter, public message_passing::mp_comm_unequal = 3

Definition at line 829 of file message_passing.F.

◆ mp_comm_compare_default

integer, parameter, public message_passing::mp_comm_compare_default = -1

Definition at line 830 of file message_passing.F.

◆ mp_collect_timings

logical, save, public message_passing::mp_collect_timings = .FALSE.

Definition at line 970 of file message_passing.F.

Functions/Subroutines

Variables

Detailed Description

Function/Subroutine Documentation

◆ mp_world_init()

◆ mp_world_finalize()

◆ mp_abort()

◆ mp_para_env_create()

◆ mp_para_env_release()

◆ mp_para_cart_create()

◆ mp_para_cart_release()

◆ mp_dims_create()

◆ mp_waitany()

◆ mp_get_node_global_rank()

◆ mp_get_library_version()

◆ mp_file_delete()

◆ mp_type_size()

◆ mp_file_type_hindexed_make_chv()

◆ mp_file_type_set_view_chv()

◆ mp_file_type_free()

◆ mp_file_get_amode()

◆ mp_type_indexed_make_d()

◆ mp_type_indexed_make_r()

◆ mp_type_indexed_make_z()

◆ mp_type_indexed_make_c()

Variable Documentation

◆ cp2k_is_parallel

◆ mp_any_tag

◆ mp_any_source

◆ mp_status_size

◆ mp_proc_null

◆ mp_max_library_version_string

◆ file_offset

◆ address_kind

◆ file_amode_create

◆ file_amode_rdonly

◆ file_amode_wronly

◆ file_amode_rdwr

◆ file_amode_excl

◆ file_amode_append

◆ mpi_character_size

◆ mpi_integer_size

◆ mp_comm_null

◆ mp_comm_self

◆ mp_comm_world

◆ mp_request_null

◆ mp_win_null

◆ mp_file_null

◆ mp_info_null

◆ mp_comm_ident

◆ mp_comm_congruent

◆ mp_comm_similar

◆ mp_comm_unequal

◆ mp_comm_compare_default

◆ mp_collect_timings