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

Data Types
interface	mp_allocate

type	mp_cart_type

type	mp_comm_type

interface	mp_deallocate

type	mp_file_descriptor_type

type	mp_file_type

type	mp_info_type

type	mp_para_cart_type
	represent a multidimensional parallel environment More...

type	mp_para_env_p_type
	represent a pointer to a para env (to build arrays) More...

type	mp_para_env_type
	stores all the informations relevant to an mpi environment More...

type	mp_request_type

interface	mp_testall

interface	mp_testany

type	mp_type_descriptor_type

interface	mp_type_make

interface	mp_waitall

type	mp_win_type

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

subroutine, public	mp_world_finalize ()
	finalizes the system default communicator

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

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

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)

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

subroutine, public	mp_para_cart_release (cart)
	releases the given cart

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

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

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

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.

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

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)

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.

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

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

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

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

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

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

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

integer, parameter	intlen = BIT_SIZE(0)/8

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 1230 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 1342 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 1375 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 1961 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 1983 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 1999 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 2016 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 2088 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 2271 of file message_passing.F.

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◆ 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 3634 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]

optional) info info object

History: 11.2017 created [Nico Holmberg]

Definition at line 3725 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 4071 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 4224 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 4268 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 4414 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 4460 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 18494 of file message_passing.F.

◆ 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 23205 of file message_passing.F.

◆ 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 27916 of file message_passing.F.

◆ 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 32627 of file message_passing.F.

Variable Documentation

◆ cp2k_is_parallel

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

Definition at line 101 of file message_passing.F.

◆ mp_any_tag

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

Definition at line 102 of file message_passing.F.

◆ mp_any_source

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

Definition at line 103 of file message_passing.F.

◆ mp_status_size

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

Definition at line 112 of file message_passing.F.

◆ mp_proc_null

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

Definition at line 113 of file message_passing.F.

◆ mp_max_library_version_string

integer, parameter, public message_passing::mp_max_library_version_string = 1

Definition at line 114 of file message_passing.F.

◆ file_offset

integer, parameter, public message_passing::file_offset = int_8

Definition at line 116 of file message_passing.F.

◆ address_kind

integer, parameter, public message_passing::address_kind = int_8

Definition at line 117 of file message_passing.F.

◆ file_amode_create

integer, parameter, public message_passing::file_amode_create = 1

Definition at line 118 of file message_passing.F.

◆ file_amode_rdonly

integer, parameter, public message_passing::file_amode_rdonly = 2

Definition at line 119 of file message_passing.F.

◆ file_amode_wronly

integer, parameter, public message_passing::file_amode_wronly = 4

Definition at line 120 of file message_passing.F.

◆ file_amode_rdwr

integer, parameter, public message_passing::file_amode_rdwr = 8

Definition at line 121 of file message_passing.F.

◆ file_amode_excl

integer, parameter, public message_passing::file_amode_excl = 64

Definition at line 122 of file message_passing.F.

◆ file_amode_append

integer, parameter, public message_passing::file_amode_append = 128

Definition at line 123 of file message_passing.F.

◆ mpi_character_size

integer, parameter, public message_passing::mpi_character_size = 1

Definition at line 128 of file message_passing.F.

◆ mpi_integer_size

integer, parameter, public message_passing::mpi_integer_size = 4

Definition at line 129 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 769 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 770 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 771 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 772 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 773 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 774 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 775 of file message_passing.F.

◆ mp_comm_ident

integer, parameter, public message_passing::mp_comm_ident = 0

Definition at line 784 of file message_passing.F.

◆ mp_comm_congruent

integer, parameter, public message_passing::mp_comm_congruent = 1

Definition at line 785 of file message_passing.F.

◆ mp_comm_similar

integer, parameter, public message_passing::mp_comm_similar = 2

Definition at line 786 of file message_passing.F.

◆ mp_comm_unequal

integer, parameter, public message_passing::mp_comm_unequal = 3

Definition at line 787 of file message_passing.F.

◆ mp_comm_compare_default

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

Definition at line 788 of file message_passing.F.

◆ intlen

integer, parameter message_passing::intlen = BIT_SIZE(0)/8

Definition at line 922 of file message_passing.F.

◆ mp_collect_timings

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

Definition at line 927 of file message_passing.F.

Data Types

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_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

◆ intlen

◆ mp_collect_timings