Base methods on DBCSR data structures. More...

Classes
interface	dbcsr_init
interface	dbcsr_init_p
interface	dbcsr_valid_index
interface	dbcsr_is_initialized
interface	dbcsr_get_data_size
interface	dbcsr_get_data_size_used
interface	dbcsr_get_data_size_referenced
interface	dbcsr_get_data_type
interface	dbcsr_is_real
interface	dbcsr_is_complex
interface	dbcsr_blk_row_size
interface	dbcsr_blk_column_size
interface	dbcsr_allocate_matrix_array
interface	dbcsr_array_new
interface	dbcsr_array_put
interface	dbcsr_array_get
interface	dbcsr_array_destroy
interface	dbcsr_array_hold
interface	dbcsr_array_release
interface	dbcsr_destroy_array
Functions
subroutine	dbcsr_init_type (matrix)
	Initializes a DBCSR matrix but does not create it.
subroutine	dbcsr_init_obj (matrix)
	Initializes a DBCSR matrix but does not allocate any memory.
subroutine	dbcsr_init_obj_p (matrix, error)
	Initializes a DBCSR matrix but does not allocate any memory.
LOGICAL	dbcsr_valid_index_type (matrix)
	Returns whether the index structure of the matrix is valid.
LOGICAL	dbcsr_valid_index_obj (matrix)
	Returns whether the index structure of the matrix is valid.
LOGICAL	dbcsr_is_initialized_type (matrix)
	Returns whether the index structure of the matrix is valid.
LOGICAL	dbcsr_is_initialized_obj (matrix)
	Returns whether the index structure of the matrix is valid.
subroutine, public	dbcsr_hold (matrix)
	Registers another reference for a DBCSR matrix.
recursive subroutine, public	dbcsr_release (matrix)
	Releases a reference for a DBCSR matrix.
subroutine, public	dbcsr_release_p (matrix, error)
	Releases a reference for a DBCSR matrix.
recursive subroutine, public	dbcsr_destroy (matrix, error, force)
	Deallocates and destroys a matrix.
subroutine, public	dbcsr_release_locals (matrix, error)
subroutine, public	dbcsr_mp_init (mp_env)
	Initializes a new process grid.
LOGICAL, public	dbcsr_mp_exists (mp_env)
	Checks whether the message passing environment exists.
LOGICAL, public	dbcsr_mp_active (mp_env)
	Checks whether this process is part of the message passing environment.
subroutine, public	dbcsr_mp_new (mp_env, pgrid, mp_group, mynode, numnodes, myprow, mypcol)
	Creates new process grid.
subroutine, public	dbcsr_mp_grid_setup (mp_env, force)
	Sets up MPI cartesian process grid.
subroutine, public	dbcsr_mp_grid_remove (mp_env)
	Removes an MPI cartesian process grid.
subroutine, public	dbcsr_modify_lock (matrix)
	Locks the DBCSR data structure for modification.
subroutine, public	dbcsr_modify_unlock (matrix)
	Releases the modification lock on a DBCSR data structure.
subroutine	dbcsr_read_lock (matrix)
	Locks the DBCSR data structure for reading.
subroutine	dbcsr_read_unlock (matrix)
	Releases the reading lock on a DBCSR data structure.
pure subroutine, public	dbcsr_mp_hold (mp_env)
	Marks another use of the mp_env.
subroutine, public	dbcsr_mp_release (mp_env)
	Releases and potentially destrops an mp_env.
INTEGER, public	dbcsr_mp_get_process (mp_env, prow, pcol)
pure subroutine, public	dbcsr_mp_get_coordinates (mp_env, node, prow, pcol)
INTEGER, dimension(:,:), pointer, public	dbcsr_mp_pgrid (mp_env)
INTEGER, public	dbcsr_mp_numnodes (mp_env)
INTEGER, public	dbcsr_mp_mynode (mp_env)
INTEGER, public	dbcsr_mp_group (mp_env)
INTEGER, public	dbcsr_mp_nprows (mp_env)
INTEGER, public	dbcsr_mp_npcols (mp_env)
INTEGER, public	dbcsr_mp_myprow (mp_env)
INTEGER, public	dbcsr_mp_mypcol (mp_env)
LOGICAL, public	dbcsr_mp_has_subgroups (mp_env)
INTEGER, public	dbcsr_mp_my_row_group (mp_env)
INTEGER, public	dbcsr_mp_my_col_group (mp_env)
LOGICAL, public	dbcsr_mp_pgrid_equal (mp_env1, mp_env2)
subroutine, public	dbcsr_mp_new_transposed (mp_t, mp)
	Transposes a multiprocessor environment.
subroutine, public	dbcsr_distribution_new (dist, mp_env, row_dist, col_dist, local_rows, local_cols)
	Creates new distribution.
subroutine, public	dbcsr_distribution_hold (dist)
	Marks another use of the distribution.
subroutine, public	dbcsr_distribution_release (dist)
	Releases and potentially destrops a distribution.
subroutine, public	dbcsr_dist_release_locals (dist, error)
subroutine, public	dbcsr_distribution_init (dist)
subroutine, public	dbcsr_distribution_add_row_map (dist, row_map)
subroutine, public	dbcsr_distribution_add_col_map (dist, col_map)
subroutine, public	dbcsr_distribution_del_row_map (dist)
subroutine, public	dbcsr_distribution_del_col_map (dist)
TYPE(dbcsr_mp_obj), public	dbcsr_distribution_mp (dist)
INTEGER, public	dbcsr_distribution_nrows (dist)
INTEGER, public	dbcsr_distribution_ncols (dist)
TYPE(array_i1d_obj), public	dbcsr_distribution_row_dist (dist)
TYPE(array_i1d_obj), public	dbcsr_distribution_col_dist (dist)
INTEGER, public	dbcsr_distribution_nlocal_rows (dist)
INTEGER, public	dbcsr_distribution_nlocal_cols (dist)
TYPE(array_i1d_obj), public	dbcsr_distribution_local_rows (dist)
TYPE(array_i1d_obj), public	dbcsr_distribution_local_cols (dist)
pure function, public	dbcsr_distribution_processor (dist, row, col)
TYPE(array_i1d_obj), public	dbcsr_distribution_thread_dist (dist)
LOGICAL, public	dbcsr_distribution_has_threads (dist)
INTEGER, public	dbcsr_distribution_num_threads (dist)
subroutine, public	dbcsr_distribution_make_threads (dist, row_sizes)
	Creates a distribution for threads.
subroutine	make_threads (dist, row_sizes)
	Creates a distribution for threads.
subroutine, public	dbcsr_distribution_no_threads (dist)
	Removes the thread distribution from a distribution.
INTEGER, public	dbcsr_nblkrows_total (matrix)
INTEGER, public	dbcsr_nblkcols_total (matrix)
INTEGER, public	dbcsr_nfullrows_total (matrix)
INTEGER, public	dbcsr_nfullcols_total (matrix)
INTEGER, public	dbcsr_nblkrows_local (matrix)
INTEGER, public	dbcsr_nblkcols_local (matrix)
INTEGER, public	dbcsr_nfullrows_local (matrix)
INTEGER, public	dbcsr_nfullcols_local (matrix)
INTEGER, public	dbcsr_max_row_size (matrix)
INTEGER, public	dbcsr_max_col_size (matrix)
TYPE(dbcsr_distribution_obj), public	dbcsr_distribution (matrix)
CHARACTER(len=default_string_length), public	dbcsr_name (matrix)
LOGICAL, public	dbcsr_wm_use_mutable (wm)
	Returns whether this work matrix uses the mutable type.
LOGICAL, public	dbcsr_use_mutable (matrix)
	Returns whether work matrices should use the mutable data type.
TYPE(array_i1d_obj), public	dbcsr_row_block_sizes (matrix)
TYPE(array_i1d_obj), public	dbcsr_col_block_sizes (matrix)
TYPE(array_i1d_obj), public	dbcsr_col_block_offsets (matrix)
TYPE(array_i1d_obj), public	dbcsr_row_block_offsets (matrix)
subroutine, public	dbcsr_get_info (matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, data_area, matrix_type, data_type)
	Gets information about a matrix.
LOGICAL, public	dbcsr_may_be_dense (matrix, occ_thresh)
	Returns whether the matrix could be represeneted in a dense form.
INTEGER	dbcsr_blk_row_size_type (matrix, row)
	Returns the blocked row size of a row.
INTEGER	dbcsr_blk_row_size_obj (matrix, row)
INTEGER, public	dbcsr_blk_row_offset (matrix, row)
INTEGER	dbcsr_blk_column_size_type (matrix, column)
	Returns the blocked column size of a column.
INTEGER	dbcsr_blk_column_size_obj (matrix, column)
INTEGER, public	dbcsr_blk_col_offset (matrix, col)
TYPE(dbcsr_data_obj), public	dbcsr_data_area (matrix)
	Returns the data area.
subroutine, public	dbcsr_switch_data_area (matrix, data_area, previous_data_area, error)
	Sets the data area of a matrix.
CHARACTER, public	dbcsr_get_matrix_type (matrix)
	Returns the matrix type.
LOGICAL, public	dbcsr_has_symmetry (matrix)
	Whether matrix has symmetry.
CHARACTER, public	dbcsr_get_replication_type (matrix)
	Whether matrix is (logically) transposed.
INTEGER	dbcsr_get_data_type_obj (matrix)
	Returns the data type stored in the matrix.
INTEGER	data_get_data_type (area)
	Returns data type of a data area.
LOGICAL	dbcsr_is_real_obj (matrix)
	Returns true if the data type of the matrix is real.
LOGICAL	dbcsr_is_complex_obj (matrix)
	Returns true if the data type of the matrix is complex.
pure function, public	dbcsr_get_data_memory_type (matrix)
	Returns the type of memory used for data in the matrix.
INTEGER, public	dbcsr_get_index_memory_type (matrix)
	Returns the type of memory used for the index in the matrix.
LOGICAL	uses_special_memory_matrix (matrix)
	Returns whether the matrix uses specially-allocated memory.
LOGICAL	uses_special_memory_area (area)
	Returns whether the data area uses speciall-allocated memory.
INTEGER	get_data_size_area (area)
	Returns the allocated data size.
INTEGER	data_data_get_type (area)
	Returns data type of a data area.
INTEGER	get_data_size_matrix (matrix)
	Returns the allocated data size of a DBCSR matrix.
INTEGER	get_data_size_ref_matrix (matrix)
	Get actual data storage used for matrix.
INTEGER	get_data_size_ref_area (area)
	Get actual data storage used for matrix.
pure subroutine	set_data_size_ref_area (data_area, referenced_size)
	Sets the referenced size of the data area.
INTEGER, public	dbcsr_get_data_size_used (matrix, error)
	Count actual data storage used for matrix data.
INTEGER, public	dbcsr_get_num_blocks (matrix)
	Returns the number of blocks in the matrix.
INTEGER, public	dbcsr_get_nze (matrix)
	Returns the number of non-zero elements in the matrix.
REAL(KIND=real_8), public	dbcsr_get_occupation (matrix)
	Returns the occupation of the matrix.
subroutine	array_init_1d (array, n)
	Initializes a 1-d array of DBCSR matrices.
subroutine	array_init_2d (array, n)
	Initializes a 2-d array of DBCSR matrices.
subroutine	array_new_1d (array, n)
	Allocates a 1-d array of DBCSR matrices.
subroutine	array_new_2d (array, n)
	Allocates a 2-d array of DBCSR matrices.
subroutine	array_put_1d (array, position, matrix)
	Inserts a DBCSR matrix into the array.
subroutine	array_put_2d (array, position, matrix)
	Inserts a DBCSR matrix into the array.
TYPE(dbcsr_obj)	array_get_1d (array, position)
	Gets a DBCSR matrix from the array.
TYPE(dbcsr_obj)	array_get_2d (array, position)
	Gets a DBCSR matrix from the array.
subroutine	array_destroy_1d (array)
	Destroys a 1-d array and releases all held resources.
subroutine	array_destroy_2d (array)
	Destroys a 2-d array and releases all held resources.
subroutine	array_hold_1d (array)
	Registers another reference for a 1-d array.
subroutine	array_hold_2d (array)
	Registers another reference for a 2-d array.
subroutine	array_release_1d (array)
	Releases a reference for a 1-d array.
subroutine	array_release_2d (array)
	Releases a reference for a 2-d array.
subroutine	dbcsr_destroy_1d_array (marray, error)
	Releases all matrices in a 1-d arrray.
subroutine	dbcsr_destroy_2d_array (marray, error)
	Releases all matrices in 2-d arrray.
subroutine, public	dbcsr_image_dist_release (imgdist, error)
	Releases a reference to and possible deallocates an image.
subroutine, public	dbcsr_image_dist_hold (imgdist, error)
	Retains a reference to an image distribution.
subroutine, public	dbcsr_image_dist_init (imgdist, error)
	Initialized an image distribution.
subroutine	dbcsr_destroy_image_dist (imgdist)
	Destroys a DBCSR distribution for a matrix multiplication based on the right matrix.
subroutine, public	dbcsr_mutable_init (mutable)
	Initializes a mutable data type.
subroutine, public	dbcsr_mutable_destroy (mutable)
	Destroys a mutable data type.
subroutine, public	dbcsr_mutable_hold (mutable)
	Registers another reference to the mutable data type.
subroutine, public	dbcsr_mutable_release (mutable)
	Deregisters a reference to the mutable data type.
subroutine, public	dbcsr_mutable_new (mutable, data_type)
	Creates a new mutable instance.
LOGICAL, public	dbcsr_mutable_instantiated (mutable)
	Deregisters a reference to the mutable data type.
Variables
CHARACTER(len=*), parameter, private	moduleN = 'dbcsr_methods'
INTEGER, save, public	dbcsr_matrix_counter = 111111

Detailed Description

Base methods on DBCSR data structures.

Author:: Urban Borstnik

Date:: 2009-05-12

Version:: 0.95

Modification history:

Created

Function Documentation

subroutine dbcsr_methods::array_destroy_1d ( TYPE(dbcsr_1d_array_obj),intent(inout) array ) [private]

Destroys a 1-d array and releases all held resources.

Parameters:

[in,out] array the array of matrices

Definition at line 2419 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_failure_level, dbcsr_error_handling::dbcsr_fatal_level, dbcsr_release(), and dbcsr_error_handling::dbcsr_warning_level.

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subroutine dbcsr_methods::array_destroy_2d ( TYPE(dbcsr_2d_array_obj),intent(inout) array ) [private]

Destroys a 2-d array and releases all held resources.

Parameters:

[in,out] array the array of matrices

Definition at line 2449 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_failure_level, dbcsr_error_handling::dbcsr_fatal_level, dbcsr_release(), and dbcsr_error_handling::dbcsr_warning_level.

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TYPE(dbcsr_obj) dbcsr_methods::array_get_1d	(	TYPE(dbcsr_1d_array_obj),intent(in)	array,
		INTEGER,intent(in)	position
	)		`[private]`

Gets a DBCSR matrix from the array.

Parameters:

[in]	array	the array of matrices
[in]	position	array position into which matrix is inserted
	matrix	matrix (no new reference is registered)

Definition at line 2365 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_failure_level, and dbcsr_error_handling::dbcsr_fatal_level.

TYPE(dbcsr_obj) dbcsr_methods::array_get_2d	(	TYPE(dbcsr_2d_array_obj),intent(in)	array,
		INTEGER,dimension(2),intent(in)	position
	)		`[private]`

Gets a DBCSR matrix from the array.

Parameters:

[in]	array	the array of matrices
[in]	position	array position into which matrix is inserted
	matrix	matrix (no new reference is registered)

Definition at line 2392 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_failure_level, and dbcsr_error_handling::dbcsr_fatal_level.

subroutine dbcsr_methods::array_hold_1d ( TYPE(dbcsr_1d_array_obj),intent(inout) array ) [private]

Registers another reference for a 1-d array.

Parameters:

[in,out] array the array of matrices

Definition at line 2482 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, and dbcsr_error_handling::dbcsr_failure_level.

subroutine dbcsr_methods::array_hold_2d ( TYPE(dbcsr_2d_array_obj),intent(inout) array ) [private]

Registers another reference for a 2-d array.

Parameters:

[in,out] array the array of matrices

Definition at line 2502 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, and dbcsr_error_handling::dbcsr_failure_level.

subroutine dbcsr_methods::array_init_1d	(	TYPE(dbcsr_1d_array_obj),intent(out)	array,
		INTEGER,intent(in),optional	n
	)		`[private]`

Initializes a 1-d array of DBCSR matrices.

Parameters:

[out]	array	the array of matrices
[in]	n	(optional) number of matrices to be included

Definition at line 2227 of file dbcsr_methods.f90.

subroutine dbcsr_methods::array_init_2d	(	TYPE(dbcsr_2d_array_obj),intent(out)	array,
		INTEGER,dimension(2),intent(in),optional	n
	)		`[private]`

Initializes a 2-d array of DBCSR matrices.

Parameters:

[out]	array	the array of matrices
[in]	n	(optional) number of matrices to be included

Definition at line 2240 of file dbcsr_methods.f90.

subroutine dbcsr_methods::array_new_1d	(	TYPE(dbcsr_1d_array_obj),intent(inout)	array,
		INTEGER,intent(in)	n
	)		`[private]`

Allocates a 1-d array of DBCSR matrices.

Parameters:

[in,out]	array	the array of matrices
[in]	n	number of matrices to be included

Definition at line 2254 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, and dbcsr_error_handling::dbcsr_warning_level.

subroutine dbcsr_methods::array_new_2d	(	TYPE(dbcsr_2d_array_obj),intent(inout)	array,
		INTEGER,dimension(2),intent(in)	n
	)		`[private]`

Allocates a 2-d array of DBCSR matrices.

Parameters:

[in,out]	array	the array of matrices
[in]	n	number of matrices to be included

Definition at line 2278 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, and dbcsr_error_handling::dbcsr_warning_level.

subroutine dbcsr_methods::array_put_1d	(	TYPE(dbcsr_1d_array_obj),intent(inout)	array,
		INTEGER,intent(in)	position,
		TYPE(dbcsr_obj),intent(in)	matrix
	)		`[private]`

Inserts a DBCSR matrix into the array.

The matrix is inserted into the array and its reference is registered.

Parameters:

[in,out]	array	the array of matrices
[in]	position	array position into which matrix is inserted
[in]	matrix	matrices to be included

Definition at line 2305 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_failure_level, dbcsr_error_handling::dbcsr_fatal_level, and dbcsr_hold().

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subroutine dbcsr_methods::array_put_2d	(	TYPE(dbcsr_2d_array_obj),intent(inout)	array,
		INTEGER,dimension(2),intent(in)	position,
		TYPE(dbcsr_obj),intent(in)	matrix
	)		`[private]`

Inserts a DBCSR matrix into the array.

The matrix is inserted into the array and its reference is registered.

Parameters:

[in,out]	array	the array of matrices
[in]	position	array position into which matrix is inserted
[in]	matrix	matrices to be included

Definition at line 2335 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_failure_level, dbcsr_error_handling::dbcsr_fatal_level, and dbcsr_hold().

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subroutine dbcsr_methods::array_release_1d ( TYPE(dbcsr_1d_array_obj),intent(inout) array ) [private]

Releases a reference for a 1-d array.

If there are no references left, the array is destroyed.

Parameters:

[in,out] array the array of matrices

Definition at line 2525 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, and dbcsr_error_handling::dbcsr_failure_level.

subroutine dbcsr_methods::array_release_2d ( TYPE(dbcsr_2d_array_obj),intent(inout) array ) [private]

Releases a reference for a 2-d array.

If there are no references left, the array is destroyed.

Parameters:

[in,out] array the array of matrices

Definition at line 2550 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, and dbcsr_error_handling::dbcsr_failure_level.

INTEGER dbcsr_methods::data_data_get_type ( TYPE(dbcsr_data_obj),intent(in) area ) [private]

Returns data type of a data area.

Parameters:

[in] area data area

Returns:: data_type data type of the data area

Definition at line 2033 of file dbcsr_methods.f90.

INTEGER dbcsr_methods::data_get_data_type ( TYPE(dbcsr_data_obj),intent(in) area ) [private]

Returns data type of a data area.

Parameters:

[in] area data area

Returns:: data_type data type of the data area

Definition at line 1909 of file dbcsr_methods.f90.

INTEGER,public dbcsr_methods::dbcsr_blk_col_offset	(	TYPE(dbcsr_obj),intent(in)	matrix,
		INTEGER,intent(in)	col
	)

Definition at line 1765 of file dbcsr_methods.f90.

Referenced by dbcsr_util::dbcsr_checksum(), and cp_dbcsr_interface::fill_sizes().

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INTEGER dbcsr_methods::dbcsr_blk_column_size_obj	(	TYPE(dbcsr_obj),intent(in)	matrix,
		INTEGER,intent(in)	column
	)		`[private]`

Definition at line 1758 of file dbcsr_methods.f90.

INTEGER dbcsr_methods::dbcsr_blk_column_size_type	(	TYPE(dbcsr_type),intent(in)	matrix,
		INTEGER,intent(in)	column
	)		`[private]`

Returns the blocked column size of a column.

This routine is optimized for speed and no checks are performed.

Parameters:

[in]	matrix	DBCSR matrix
[in]	column	column number

Return values:

column_size blocked row size

Definition at line 1751 of file dbcsr_methods.f90.

INTEGER,public dbcsr_methods::dbcsr_blk_row_offset	(	TYPE(dbcsr_obj),intent(in)	matrix,
		INTEGER,intent(in)	row
	)

Definition at line 1734 of file dbcsr_methods.f90.

Referenced by dbcsr_util::dbcsr_checksum(), and cp_dbcsr_interface::fill_sizes().

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INTEGER dbcsr_methods::dbcsr_blk_row_size_obj	(	TYPE(dbcsr_obj),intent(in)	matrix,
		INTEGER,intent(in)	row
	)		`[private]`

Definition at line 1727 of file dbcsr_methods.f90.

INTEGER dbcsr_methods::dbcsr_blk_row_size_type	(	TYPE(dbcsr_type),intent(in)	matrix,
		INTEGER,intent(in)	row
	)		`[private]`

Returns the blocked row size of a row.

This routine is optimized for speed and no checks are performed.

Parameters:

[in]	matrix	DBCSR matrix
[in]	row	row number

Return values:

row_size blocked row size

Definition at line 1720 of file dbcsr_methods.f90.

TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_col_block_offsets ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1578 of file dbcsr_methods.f90.

Referenced by dbcsr_operations::dbcsr_add_on_diag_anytype(), dbcsr_operations::dbcsr_crop_matrix(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_performance_multiply::perf_multiply(), and dbcsr_test_multiply::test_multiply().

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TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_col_block_sizes ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1571 of file dbcsr_methods.f90.

Referenced by dbcsr_work_operations::dbcsr_create_template(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_get_data_size_used(), dbcsr_transformations::dbcsr_make_untransposed_blocks(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_operations::dbcsr_reduce(), dbcsr_performance_multiply::perf_multiply(), dbcsr_test_add::test_add(), dbcsr_tests::test_multiplies_multiproc(), and dbcsr_test_multiply::test_multiply().

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TYPE(dbcsr_data_obj),public dbcsr_methods::dbcsr_data_area ( TYPE(dbcsr_type),intent(in) matrix )

Returns the data area.

Parameters:

matrix	matrix from which to get data
area	data area

Definition at line 1778 of file dbcsr_methods.f90.

Referenced by dbcsr_io::dbcsr_binary_write().

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recursive subroutine,public dbcsr_methods::dbcsr_destroy	(	TYPE(dbcsr_obj),intent(inout)	matrix,
		TYPE(dbcsr_error_type),intent(inout)	error,
		LOGICAL,intent(in),optional	force
	)

Deallocates and destroys a matrix.

Parameters:

[in,out]	matrix	matrix
[in,out]	error	cp2k error
[in]	force	(optional) force deallocation

Definition at line 467 of file dbcsr_methods.f90.

References dbcsr_block_buffers::dbcsr_buffers_2d_needed, dbcsr_error_handling::dbcsr_caller_error, dbcsr_distribution_release(), dbcsr_error_handling::dbcsr_error_set(), dbcsr_error_handling::dbcsr_error_stop(), dbcsr_error_handling::dbcsr_fatal_level, dbcsr_error_handling::dbcsr_internal_error, dbcsr_release_locals(), and dbcsr_error_handling::dbcsr_warning_level.

Referenced by dbcsr_destroy_1d_array(), dbcsr_destroy_2d_array(), dbcsr_release(), and dbcsr_release_p().

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subroutine dbcsr_methods::dbcsr_destroy_1d_array	(	TYPE(dbcsr_array_type),intent(inout)	marray,
		TYPE(dbcsr_error_type),intent(inout)	error
	)		`[private]`

Releases all matrices in a 1-d arrray.

Parameters:

[in]	source	input matrix
[in,out]	marray	matrix array

Definition at line 2574 of file dbcsr_methods.f90.

References dbcsr_destroy().

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subroutine dbcsr_methods::dbcsr_destroy_2d_array	(	TYPE(dbcsr_2d_array_type),intent(inout)	marray,
		TYPE(dbcsr_error_type),intent(inout)	error
	)		`[private]`

Releases all matrices in 2-d arrray.

Parameters:

[in]	source	input matrix
[in,out]	marray	matrix array

Definition at line 2598 of file dbcsr_methods.f90.

References dbcsr_destroy(), and dbcsr_image_dist_release().

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subroutine dbcsr_methods::dbcsr_destroy_image_dist ( TYPE(dbcsr_imagedistribution_type),intent(inout) imgdist ) [private]

Destroys a DBCSR distribution for a matrix multiplication based on the right matrix.

Parameters:

inout] imgdist_product product distribution repetition

Definition at line 2666 of file dbcsr_methods.f90.

References dbcsr_distribution_release().

Referenced by dbcsr_image_dist_release().

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subroutine,public dbcsr_methods::dbcsr_dist_release_locals	(	TYPE(dbcsr_distribution_obj),intent(inout)	dist,
		TYPE(dbcsr_error_type),intent(inout)	error
	)

Definition at line 1085 of file dbcsr_methods.f90.

Referenced by dbcsr_distribution_release().

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TYPE(dbcsr_distribution_obj),public dbcsr_methods::dbcsr_distribution ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1519 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_distribution(), dbcsr_operations::dbcsr_add_on_diag_anytype(), dbcsr_io::dbcsr_binary_write(), dbcsr_transformations::dbcsr_complete_redistribute(), dbcsr_work_operations::dbcsr_create_template(), dbcsr_transformations::dbcsr_datablock_redistribute(), dbcsr_transformations::dbcsr_distribute(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_operations::dbcsr_init_random(), dbcsr_iterator_operations::dbcsr_iterator_start(), dbcsr_operations::dbcsr_lanczos_extremal_eig(), dbcsr_transformations::dbcsr_make_dense(), dbcsr_index_operations::dbcsr_make_index_list(), dbcsr_transformations::dbcsr_make_undense(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_transformations::dbcsr_redistribute(), dbcsr_operations::dbcsr_reduce(), dbcsr_dist_operations::dbcsr_reset_locals(), dbcsr_dist_operations::dbcsr_reset_vlocals(), dbcsr_operations::dbcsr_sum_replicated(), dbcsr_transformations::make_images(), dbcsr_performance_multiply::perf_multiply(), and dbcsr_tests::test_multiplies_multiproc().

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subroutine,public dbcsr_methods::dbcsr_distribution_add_col_map	(	TYPE(dbcsr_distribution_obj),intent(inout)	dist,
		TYPE(array_i1d_obj),intent(in)	col_map
	)

Definition at line 1135 of file dbcsr_methods.f90.

subroutine,public dbcsr_methods::dbcsr_distribution_add_row_map	(	TYPE(dbcsr_distribution_obj),intent(inout)	dist,
		TYPE(array_i1d_obj),intent(in)	row_map
	)

Definition at line 1127 of file dbcsr_methods.f90.

TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_distribution_col_dist ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1186 of file dbcsr_methods.f90.

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subroutine,public dbcsr_methods::dbcsr_distribution_del_col_map ( TYPE(dbcsr_distribution_obj),intent(inout) dist )

Definition at line 1150 of file dbcsr_methods.f90.

subroutine,public dbcsr_methods::dbcsr_distribution_del_row_map ( TYPE(dbcsr_distribution_obj),intent(inout) dist )

Definition at line 1143 of file dbcsr_methods.f90.

LOGICAL,public dbcsr_methods::dbcsr_distribution_has_threads ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1252 of file dbcsr_methods.f90.

Referenced by dbcsr_dist_operations::dbcsr_make_dists_dense(), and dbcsr_operations::dbcsr_multiply_anytype().

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subroutine,public dbcsr_methods::dbcsr_distribution_hold ( TYPE(dbcsr_distribution_obj),intent(inout) dist )

Marks another use of the distribution.

Parameters:

[in,out] mp_env multiprocessor environment

Definition at line 1045 of file dbcsr_methods.f90.

Referenced by dbcsr_work_operations::dbcsr_create_new(), dbcsr_dist_operations::dbcsr_make_dists_dense(), dbcsr_test_methods::dbcsr_make_random_matrix(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_dist_operations::dbcsr_new_image_dist(), and dbcsr_transformations::dbcsr_new_transposed().

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subroutine,public dbcsr_methods::dbcsr_distribution_init ( TYPE(dbcsr_distribution_obj),intent(out) dist )

Definition at line 1120 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::copy_cfm_to_dbcsr(), cp_dbcsr_operations::copy_dbcsr_to_cfm(), cp_dbcsr_operations::copy_dbcsr_to_fm(), cp_dbcsr_operations::copy_fm_to_dbcsr(), dbcsr_dist_operations::dbcsr_create_image_dist(), dbcsr_distribution_release(), and dbcsr_init_type().

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TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_distribution_local_cols ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1213 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::copy_dbcsr_to_cfm(), cp_dbcsr_operations::copy_dbcsr_to_fm(), dbcsr_dist_operations::dbcsr_create_dist_l_unrot(), dbcsr_dist_operations::dbcsr_create_dist_r_rot(), dbcsr_get_info(), dbcsr_transformations::dbcsr_make_dense(), dbcsr_transformations::dbcsr_make_undense(), dbcsr_dist_operations::dbcsr_transpose_distribution(), dbcsr_index_operations::make_undense_index(), and dbcsr_util::meta_from_dist().

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TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_distribution_local_rows ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1207 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::copy_dbcsr_to_cfm(), cp_dbcsr_operations::copy_dbcsr_to_fm(), dbcsr_dist_operations::dbcsr_create_dist_l_rot(), dbcsr_get_info(), dbcsr_transformations::dbcsr_make_dense(), dbcsr_transformations::dbcsr_make_undense(), dbcsr_dist_operations::dbcsr_transpose_distribution(), make_threads(), dbcsr_index_operations::make_undense_index(), and dbcsr_util::meta_from_dist().

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subroutine,public dbcsr_methods::dbcsr_distribution_make_threads	(	TYPE(dbcsr_distribution_obj),intent(inout),target	dist,
		INTEGER,dimension(:),intent(in),optional	row_sizes
	)

Creates a distribution for threads.

Parameters:

[in,out]	dist	Add thread distribution to this distribution
[in]	row_sizes	(optional) row block sizes

Definition at line 1275 of file dbcsr_methods.f90.

References make_threads().

Referenced by dbcsr_dist_operations::dbcsr_make_dists_dense(), and dbcsr_operations::dbcsr_multiply_anytype().

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TYPE(dbcsr_mp_obj),public dbcsr_methods::dbcsr_distribution_mp ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1158 of file dbcsr_methods.f90.

INTEGER,public dbcsr_methods::dbcsr_distribution_ncols ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1172 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::copy_dbcsr_to_cfm(), cp_dbcsr_operations::copy_dbcsr_to_fm(), dbcsr_dist_operations::dbcsr_create_image_dist(), dbcsr_work_operations::dbcsr_create_new(), dbcsr_transformations::dbcsr_make_undense(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_transformations::dbcsr_new_transposed(), dbcsr_index_operations::make_undense_index(), and dbcsr_util::meta_from_dist().

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subroutine,public dbcsr_methods::dbcsr_distribution_new	(	TYPE(dbcsr_distribution_obj),intent(out)	dist,
		TYPE(dbcsr_mp_obj),intent(in)	mp_env,
		TYPE(array_i1d_obj),intent(in)	row_dist,
		TYPE(array_i1d_obj),intent(in)	col_dist,
		TYPE(array_i1d_obj),intent(in),optional	local_rows,
		TYPE(array_i1d_obj),intent(in),optional	local_cols
	)

Creates new distribution.

Parameters:

[out]	dist	distribution
[in]	mp_env	multiprocessing environment
[in]	row_dist,col_dist	row and column distributions

Definition at line 951 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_fatal_level, dbcsr_mp_hold(), dbcsr_mp_mypcol(), dbcsr_mp_myprow(), dbcsr_mp_npcols(), dbcsr_mp_nprows(), and dbcsr_error_handling::dbcsr_wrong_args_error.

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INTEGER,public dbcsr_methods::dbcsr_distribution_nlocal_cols ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1201 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::copy_dbcsr_to_cfm(), cp_dbcsr_operations::copy_dbcsr_to_fm(), dbcsr_transformations::dbcsr_make_undense(), dbcsr_index_operations::make_undense_index(), and dbcsr_util::meta_from_dist().

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INTEGER,public dbcsr_methods::dbcsr_distribution_nlocal_rows ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1195 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::copy_dbcsr_to_cfm(), cp_dbcsr_operations::copy_dbcsr_to_fm(), dbcsr_transformations::dbcsr_make_undense(), make_threads(), dbcsr_index_operations::make_undense_index(), and dbcsr_util::meta_from_dist().

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subroutine,public dbcsr_methods::dbcsr_distribution_no_threads ( TYPE(dbcsr_distribution_obj),intent(inout) dist )

Removes the thread distribution from a distribution.

Definition at line 1444 of file dbcsr_methods.f90.

Referenced by dbcsr_dist_operations::dbcsr_make_dists_dense(), and dbcsr_operations::dbcsr_multiply_anytype().

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INTEGER,public dbcsr_methods::dbcsr_distribution_nrows ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1166 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::copy_dbcsr_to_cfm(), cp_dbcsr_operations::copy_dbcsr_to_fm(), dbcsr_dist_operations::dbcsr_create_image_dist(), dbcsr_work_operations::dbcsr_create_new(), dbcsr_transformations::dbcsr_make_undense(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_transformations::dbcsr_new_transposed(), make_threads(), dbcsr_index_operations::make_undense_index(), and dbcsr_util::meta_from_dist().

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INTEGER,public dbcsr_methods::dbcsr_distribution_num_threads ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1261 of file dbcsr_methods.f90.

pure function,public dbcsr_methods::dbcsr_distribution_processor	(	TYPE(dbcsr_distribution_obj),intent(in)	dist,
		INTEGER,intent(in)	row,
		INTEGER,intent(in)	col
	)

Definition at line 1220 of file dbcsr_methods.f90.

Referenced by dbcsr_dist_operations::get_stored_canonical(), and dbcsr_dist_operations::get_stored_coordinates_type().

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subroutine,public dbcsr_methods::dbcsr_distribution_release ( TYPE(dbcsr_distribution_obj),intent(inout) dist )

Releases and potentially destrops a distribution.

Parameters:

[in,out] mp_env multiprocessor environment

Definition at line 1058 of file dbcsr_methods.f90.

References dbcsr_dist_release_locals(), dbcsr_distribution_init(), and dbcsr_mp_release().

Referenced by cp_dbcsr_operations::copy_cfm_to_dbcsr(), cp_dbcsr_operations::copy_dbcsr_to_cfm(), cp_dbcsr_operations::copy_dbcsr_to_fm(), cp_dbcsr_operations::copy_fm_to_dbcsr(), cp_dbcsr_interface::cp_dbcsr_distribution_release(), cp_dbcsr_operations::cp_dbcsr_plus_fm_fm_t_native(), cp_dbcsr_operations::cp_dbcsr_sm_fm_multiply(), dbcsr_tests::cp_test_multiplies(), dbcsr_work_operations::dbcsr_create_new(), dbcsr_destroy(), dbcsr_destroy_image_dist(), dbcsr_example_1(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_operations::dbcsr_lanczos_extremal_eig(), dbcsr_dist_operations::dbcsr_make_dists_dense(), dbcsr_test_methods::dbcsr_make_random_matrix(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_transformations::dbcsr_new_transposed(), dbcsr_performance_multiply::dbcsr_perf_multiply_low(), cp_dbcsr_interface::matrix_match_sizes(), dbcsr_performance_multiply::perf_multiply(), dbcsr_test_add::test_add(), dbcsr_tests::test_multiplies_multiproc(), and dbcsr_test_multiply::test_multiply().

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TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_distribution_row_dist ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1178 of file dbcsr_methods.f90.

Referenced by preconditioner::apply_sparse_single(), cp_dbcsr_operations::cp_dbcsr_plus_fm_fm_t_native(), cp_dbcsr_operations::cp_dbcsr_sm_fm_multiply(), dbcsr_transformations::dbcsr_complete_redistribute(), dbcsr_dist_operations::dbcsr_create_dist_l_rot(), dbcsr_dist_operations::dbcsr_create_image_dist(), dbcsr_transformations::dbcsr_desymmetrize_deep(), dbcsr_dist_operations::dbcsr_get_global_row_map(), dbcsr_get_info(), dbcsr_dist_operations::dbcsr_get_local_rows(), dbcsr_operations::dbcsr_lanczos_extremal_eig(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_transformations::dbcsr_redistribute(), dbcsr_transformations::dbcsr_replicate(), dbcsr_dist_operations::dbcsr_transpose_dims(), dbcsr_dist_operations::dbcsr_transpose_distribution(), dbcsr_transformations::make_images(), dbcsr_dist_operations::match_sizes_to_dist(), cp_dbcsr_interface::matrix_match_sizes(), and dbcsr_performance_multiply::perf_multiply().

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TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_distribution_thread_dist ( TYPE(dbcsr_distribution_obj),intent(in) dist )

Definition at line 1242 of file dbcsr_methods.f90.

Referenced by dbcsr_dist_operations::dbcsr_make_dists_dense(), and dbcsr_index_operations::dbcsr_make_index_list().

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pure function,public dbcsr_methods::dbcsr_get_data_memory_type ( TYPE(dbcsr_obj),intent(in) matrix )

Returns the type of memory used for data in the matrix.

Note:: It returns the declared data type, not the actually used type

Parameters:

[in]	matrix	query this matrix
[out]	same_as_actual	(optional) whether the data actually uses the declared memory type

Returns:: memory_type memory type used for data

Definition at line 1960 of file dbcsr_methods.f90.

Referenced by dbcsr_work_operations::dbcsr_create_template().

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INTEGER,public dbcsr_methods::dbcsr_get_data_size_used	(	TYPE(dbcsr_obj),intent(in)	matrix,
		TYPE(dbcsr_error_type),intent(inout)	error
	)

Count actual data storage used for matrix data.

Parameters:

[in]	matrix	Count data of this matrix
[in,out]	error	Error

Returns:: data_size Data size used by matrix

Definition at line 2124 of file dbcsr_methods.f90.

References dbcsr_col_block_sizes(), dbcsr_error_handling::dbcsr_error_set(), dbcsr_error_handling::dbcsr_error_stop(), and dbcsr_row_block_sizes().

Referenced by dbcsr_work_operations::dbcsr_finalize().

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INTEGER dbcsr_methods::dbcsr_get_data_type_obj ( TYPE(dbcsr_obj),intent(in) matrix ) [private]

Returns the data type stored in the matrix.

Parameters:

matrix	query this matrix
data_type	data_type (see dbcsr_types.F for possible values)

Definition at line 1897 of file dbcsr_methods.f90.

INTEGER,public dbcsr_methods::dbcsr_get_index_memory_type ( TYPE(dbcsr_obj),intent(in) matrix )

Returns the type of memory used for the index in the matrix.

Parameters:

[in] matrix query this matrix

Returns:: memory_type memory type used for the index

Definition at line 1973 of file dbcsr_methods.f90.

Referenced by dbcsr_operations::dbcsr_copy(), dbcsr_work_operations::dbcsr_create_template(), dbcsr_index_operations::dbcsr_index_compact(), dbcsr_operations::dbcsr_reduce(), and dbcsr_mm_cannon::setup_buffer_matrices().

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subroutine,public dbcsr_methods::dbcsr_get_info	(	TYPE(dbcsr_obj),intent(in)	matrix,
		INTEGER,intent(out),optional	nblkrows_total,
		INTEGER,intent(out),optional	nblkcols_total,
		INTEGER,intent(out),optional	nfullrows_total,
		INTEGER,intent(out),optional	nfullcols_total,
		INTEGER,intent(out),optional	nblkrows_local,
		INTEGER,intent(out),optional	nblkcols_local,
		INTEGER,intent(out),optional	nfullrows_local,
		INTEGER,intent(out),optional	nfullcols_local,
		INTEGER,intent(out),optional	my_prow,
		INTEGER,intent(out),optional	my_pcol,
		INTEGER,dimension(:),optional,pointer	local_rows,
		INTEGER,dimension(:),optional,pointer	local_cols,
		INTEGER,dimension(:),optional,pointer	proc_row_dist,
		INTEGER,dimension(:),optional,pointer	proc_col_dist,
		TYPE(array_i1d_obj),intent(out),optional	row_blk_size,
		TYPE(array_i1d_obj),intent(out),optional	col_blk_size,
		TYPE(array_i1d_obj),intent(out),optional	row_blk_offset,
		TYPE(array_i1d_obj),intent(out),optional	col_blk_offset,
		TYPE(dbcsr_distribution_obj),intent(out),optional	distribution,
		CHARACTER(len=*),intent(out),optional	name,
		TYPE(dbcsr_data_obj),intent(out),optional	data_area,
		CHARACTER,optional	matrix_type,
		INTEGER,optional	data_type
	)

Gets information about a matrix.

Parameters:

[in]	matrix	matrix to query
[out]	nblkrows_total
[out]	nblkcols_total
[out]	nfullrows_total
[out]	nfullcols_total
[out]	nblkrows_local
[out]	nblkrows_local
[out]	nfullrows_local
[out]	nfullrows_local
[out]	my_prow,my_pcol
[out]	local_rows,local_cols
[out]	proc_row_dist,proc_col_dist
[out]	row_blk_size
[out]	col_blk_size
[out]	row_blk_offset
[out]	col_blk_offset
[out]	distribution	the data distribution of the matrix
[out]	name	matrix name
[out]	data_area	data_area
[out]	matrix_type	matrix type (regular, symmetric, see dbcsr_types.F for values)
[out]	data_type	data type (single/double precision real/complex)
[in,out]	error	cp2k error

Definition at line 1618 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_distribution_col_dist(), dbcsr_distribution_local_cols(), dbcsr_distribution_local_rows(), dbcsr_distribution_mp(), dbcsr_distribution_row_dist(), dbcsr_error_handling::dbcsr_failure_level, dbcsr_error_handling::dbcsr_fatal_level, dbcsr_get_matrix_type(), dbcsr_types::dbcsr_magic_number, dbcsr_mp_mypcol(), dbcsr_mp_myprow(), and dbcsr_types::dbcsr_type_invalid.

Referenced by cp_dbcsr_interface::cp_dbcsr_get_info(), and dbcsr_operations::dbcsr_lanczos_extremal_eig().

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CHARACTER,public dbcsr_methods::dbcsr_get_matrix_type ( TYPE(dbcsr_obj),intent(in) matrix )

Returns the matrix type.

Parameters:

matrix	query this matrix
matrix_type	matrix_type (see dbcsr_types.F for possible values)

Definition at line 1834 of file dbcsr_methods.f90.

References dbcsr_types::dbcsr_type_antihermitian, dbcsr_types::dbcsr_type_antisymmetric, dbcsr_types::dbcsr_type_hermitian, dbcsr_types::dbcsr_type_invalid, dbcsr_types::dbcsr_type_no_symmetry, and dbcsr_types::dbcsr_type_symmetric.

Referenced by cp_dbcsr_interface::cp_dbcsr_get_matrix_type(), dbcsr_operations::dbcsr_add_anytype(), dbcsr_io::dbcsr_binary_write(), dbcsr_operations::dbcsr_copy(), dbcsr_work_operations::dbcsr_create_template(), dbcsr_operations::dbcsr_frobenius_norm_r8(), dbcsr_operations::dbcsr_gershgorin_norm_r8(), dbcsr_get_info(), dbcsr_test_methods::dbcsr_impose_sparsity(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_transformations::dbcsr_new_transposed(), dbcsr_operations::dbcsr_reduce(), dbcsr_test_methods::dbcsr_to_dense_local(), dbcsr_performance_multiply::perf_multiply(), dbcsr_test_add::test_add(), and dbcsr_test_multiply::test_multiply().

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INTEGER,public dbcsr_methods::dbcsr_get_num_blocks ( TYPE(dbcsr_obj),intent(in) matrix )

Returns the number of blocks in the matrix.

Parameters:

matrix	matrix from which to get data
area	data area

Definition at line 2165 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_get_num_blocks(), dbcsr_operations::dbcsr_add_reserved(), dbcsr_io::dbcsr_binary_write(), dbcsr_operations::dbcsr_copy_submatrix(), dbcsr_operations::dbcsr_insert_blocks(), and dbcsr_block_access::dbcsr_reserve_blocks().

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INTEGER,public dbcsr_methods::dbcsr_get_nze ( TYPE(dbcsr_obj),intent(in) matrix )

Returns the number of non-zero elements in the matrix.

Parameters:

matrix	matrix from which to get data
area	data area

Definition at line 2177 of file dbcsr_methods.f90.

REAL(KIND=real_8),public dbcsr_methods::dbcsr_get_occupation ( TYPE(dbcsr_obj),intent(in) matrix )

Returns the occupation of the matrix.

Parameters:

matrix matrix from which to get the occupation

Definition at line 2188 of file dbcsr_methods.f90.

References dbcsr_distribution_mp(), dbcsr_has_symmetry(), dbcsr_mp_group(), dbcsr_nfullcols_total(), and dbcsr_nfullrows_total().

Referenced by cp_dbcsr_interface::cp_dbcsr_get_occupation(), dbcsr_may_be_dense(), dbcsr_test_add::test_add(), and dbcsr_test_multiply::test_multiply().

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CHARACTER,public dbcsr_methods::dbcsr_get_replication_type ( TYPE(dbcsr_obj),intent(in) matrix )

Whether matrix is (logically) transposed.

Parameters:

matrix query this matrix

Returns:: transposed matrix is transposed Returns the data type stored in the matrix

Parameters:

matrix	query this matrix
data_type	repl_type (see dbcsr_types.F for possible values)

Definition at line 1884 of file dbcsr_methods.f90.

Referenced by dbcsr_operations::dbcsr_copy(), and dbcsr_work_operations::dbcsr_create_template().

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LOGICAL,public dbcsr_methods::dbcsr_has_symmetry ( TYPE(dbcsr_obj),intent(in) matrix )

Whether matrix has symmetry.

Parameters:

matrix query this matrix

Returns:: has_symmetry matrix has symmetry

Definition at line 1859 of file dbcsr_methods.f90.

Referenced by dbcsr_transformations::dbcsr_complete_redistribute(), dbcsr_operations::dbcsr_copy_into_existing(), dbcsr_operations::dbcsr_copy_into_existing_sym(), dbcsr_transformations::dbcsr_desymmetrize_deep(), dbcsr_get_occupation(), dbcsr_transformations::dbcsr_make_images(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_operations::dbcsr_norm_anytype(), and dbcsr_util::dbcsr_verify_matrix().

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subroutine,public dbcsr_methods::dbcsr_hold ( TYPE(dbcsr_obj),intent(inout) matrix )

Registers another reference for a DBCSR matrix.

Parameters:

[in,out] matrix DBCSR matrix

Definition at line 387 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_failure_level, and dbcsr_types::dbcsr_magic_number.

Referenced by array_put_1d(), and array_put_2d().

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subroutine,public dbcsr_methods::dbcsr_image_dist_hold	(	TYPE(dbcsr_imagedistribution_obj),intent(inout)	imgdist,
		TYPE(dbcsr_error_type),intent(inout)	error
	)

Retains a reference to an image distribution.

Definition at line 2641 of file dbcsr_methods.f90.

Referenced by dbcsr_transformations::dbcsr_make_images(), dbcsr_transformations::dbcsr_make_images_dense(), and dbcsr_operations::dbcsr_multiply_anytype().

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subroutine,public dbcsr_methods::dbcsr_image_dist_init	(	TYPE(dbcsr_imagedistribution_obj),intent(out)	imgdist,
		TYPE(dbcsr_error_type),intent(inout)	error
	)

Initialized an image distribution.

Akin to nullify.

Definition at line 2653 of file dbcsr_methods.f90.

Referenced by dbcsr_mm_cannon::setup_buffer_matrices().

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subroutine,public dbcsr_methods::dbcsr_image_dist_release	(	TYPE(dbcsr_imagedistribution_obj),intent(inout)	imgdist,
		TYPE(dbcsr_error_type),intent(inout)	error
	)

Releases a reference to and possible deallocates an image.

Definition at line 2623 of file dbcsr_methods.f90.

References dbcsr_destroy_image_dist().

Referenced by dbcsr_destroy_2d_array(), dbcsr_transformations::dbcsr_make_images_dense(), and dbcsr_operations::dbcsr_multiply_anytype().

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subroutine dbcsr_methods::dbcsr_init_obj ( TYPE(dbcsr_obj),intent(out) matrix ) [private]

Initializes a DBCSR matrix but does not allocate any memory.

Parameters:

[out]	matrix	uninitialized matrix
[in,out]	error	cp2k error

Definition at line 280 of file dbcsr_methods.f90.

subroutine dbcsr_methods::dbcsr_init_obj_p	(	TYPE(dbcsr_obj),pointer	matrix,
		TYPE(dbcsr_error_type),intent(inout)	error
	)		`[private]`

Initializes a DBCSR matrix but does not allocate any memory.

Parameters:

[out]	matrix	uninitialized matrix
[in,out]	error	cp2k error

Definition at line 299 of file dbcsr_methods.f90.

References dbcsr_release_p().

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subroutine dbcsr_methods::dbcsr_init_type ( TYPE(dbcsr_type),intent(out) matrix ) [private]

Initializes a DBCSR matrix but does not create it.

Parameters:

[out]	matrix	uninitialized matrix
[in,out]	error	cp2k error

Definition at line 246 of file dbcsr_methods.f90.

References dbcsr_distribution_init(), and dbcsr_types::dbcsr_magic_number.

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LOGICAL dbcsr_methods::dbcsr_is_complex_obj ( TYPE(dbcsr_obj),intent(in) matrix ) [private]

Returns true if the data type of the matrix is complex.

Parameters:

[in]	matrix	query this matrix
[out]	is_complex

Definition at line 1939 of file dbcsr_methods.f90.

References dbcsr_types::dbcsr_type_complex_4, and dbcsr_types::dbcsr_type_complex_8.

LOGICAL dbcsr_methods::dbcsr_is_initialized_obj ( TYPE(dbcsr_obj),intent(in) matrix ) [private]

Returns whether the index structure of the matrix is valid.

Parameters:

[in] matrix verify index validity of this matrix

Return values:

initialized the matrix is initialized

Definition at line 373 of file dbcsr_methods.f90.

References dbcsr_is_initialized_type().

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LOGICAL dbcsr_methods::dbcsr_is_initialized_type ( TYPE(dbcsr_type),intent(in) matrix ) [private]

Returns whether the index structure of the matrix is valid.

Parameters:

[in] matrix verify index validity of this matrix

Return values:

initialized the matrix is initialized

Definition at line 359 of file dbcsr_methods.f90.

References dbcsr_types::dbcsr_magic_number.

Referenced by dbcsr_is_initialized_obj().

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LOGICAL dbcsr_methods::dbcsr_is_real_obj ( TYPE(dbcsr_obj),intent(in) matrix ) [private]

Returns true if the data type of the matrix is real.

Parameters:

[in]	matrix	query this matrix
[out]	is_real

Definition at line 1922 of file dbcsr_methods.f90.

References dbcsr_types::dbcsr_type_real_4, and dbcsr_types::dbcsr_type_real_8.

INTEGER,public dbcsr_methods::dbcsr_max_col_size ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1512 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_max_col_size(), dbcsr_operations::dbcsr_add_on_diag_anytype(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_operations::dbcsr_hadamard_product(), and dbcsr_test_methods::dbcsr_make_random_matrix().

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INTEGER,public dbcsr_methods::dbcsr_max_row_size ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1506 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_max_row_size(), dbcsr_operations::dbcsr_add_on_diag_anytype(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_operations::dbcsr_hadamard_product(), and dbcsr_test_methods::dbcsr_make_random_matrix().

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LOGICAL,public dbcsr_methods::dbcsr_may_be_dense	(	TYPE(dbcsr_obj),intent(in)	matrix,
		REAL(real_8),intent(in)	occ_thresh
	)

Returns whether the matrix could be represeneted in a dense form.

Parameters:

[in] matrix matrix

Returns:: may_be_dense use the mutable and not append-only working structures

Definition at line 1697 of file dbcsr_methods.f90.

References dbcsr_distribution_mp(), dbcsr_get_occupation(), and dbcsr_mp_group().

Referenced by dbcsr_operations::dbcsr_multiply_anytype().

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subroutine,public dbcsr_methods::dbcsr_modify_lock ( TYPE(dbcsr_obj),intent(inout) matrix )

Locks the DBCSR data structure for modification.

Parameters:

[in,out] matrix the matrix to lock

Definition at line 747 of file dbcsr_methods.f90.

subroutine,public dbcsr_methods::dbcsr_modify_unlock ( TYPE(dbcsr_obj),intent(inout) matrix )

Releases the modification lock on a DBCSR data structure.

Parameters:

[in,out] matrix the matrix to lock

Definition at line 758 of file dbcsr_methods.f90.

LOGICAL,public dbcsr_methods::dbcsr_mp_active ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Checks whether this process is part of the message passing environment.

Definition at line 600 of file dbcsr_methods.f90.

Referenced by dbcsr_tests::test_multiplies_multiproc().

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LOGICAL,public dbcsr_methods::dbcsr_mp_exists ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Checks whether the message passing environment exists.

Definition at line 590 of file dbcsr_methods.f90.

pure subroutine,public dbcsr_methods::dbcsr_mp_get_coordinates	(	TYPE(dbcsr_mp_obj),intent(in)	mp_env,
		INTEGER,intent(in)	node,
		INTEGER,intent(out)	prow,
		INTEGER,intent(out)	pcol
	)

Definition at line 827 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::cp_dbcsr_multiply_vec().

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INTEGER,public dbcsr_methods::dbcsr_mp_get_process	(	TYPE(dbcsr_mp_obj),intent(in)	mp_env,
		INTEGER,intent(in)	prow,
		INTEGER,intent(in)	pcol
	)

Definition at line 819 of file dbcsr_methods.f90.

Referenced by most_point_to_point(), and remainder_point_to_point().

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subroutine,public dbcsr_methods::dbcsr_mp_grid_remove ( TYPE(dbcsr_mp_obj),intent(inout) mp_env )

Removes an MPI cartesian process grid.

Parameters:

[in,out] mp_env multiprocessor environment

Definition at line 734 of file dbcsr_methods.f90.

Referenced by dbcsr_mp_release(), and dbcsr_transformations::dbcsr_replicate().

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subroutine,public dbcsr_methods::dbcsr_mp_grid_setup	(	TYPE(dbcsr_mp_obj),intent(inout)	mp_env,
		LOGICAL,intent(in),optional	force
	)

Sets up MPI cartesian process grid.

Parameters:

[in,out]	mp_env	multiprocessor environment
[in]	force	(optional) force creation of subcommunicators

Definition at line 684 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_fatal_level, dbcsr_error_handling::dbcsr_internal_error, and dbcsr_message_passing::mp_cart_create().

Referenced by dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), and dbcsr_mp_operations::hybrid_alltoall_i1().

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INTEGER,public dbcsr_methods::dbcsr_mp_group ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 859 of file dbcsr_methods.f90.

Referenced by dbcsr_io::all_print(), dbcsr_io::dbcsr_binary_read(), dbcsr_io::dbcsr_binary_write(), dbcsr_util::dbcsr_checksum(), dbcsr_transformations::dbcsr_complete_redistribute(), dbcsr_transformations::dbcsr_datablock_redistribute(), dbcsr_transformations::dbcsr_desymmetrize_deep(), dbcsr_operations::dbcsr_frobenius_norm_r8(), dbcsr_operations::dbcsr_gershgorin_norm_r8(), dbcsr_get_occupation(), dbcsr_operations::dbcsr_maxabs_r8(), dbcsr_may_be_dense(), dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_mp_new_transposed(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_operations::dbcsr_norm_anytype(), dbcsr_transformations::dbcsr_redistribute(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), dbcsr_operations::dbcsr_sum_replicated(), dbcsr_util::dbcsr_verify_matrix(), dbcsr_mp_operations::hybrid_alltoall_i1(), dbcsr_transformations::make_images(), preconditioner::make_sparse_inverse_bif(), cp_dbcsr_operations::packed_vec_alltoall(), cp_dbcsr_operations::packed_vec_bcast(), cp_dbcsr_operations::packed_vec_reduce(), and dbcsr_tests::test_multiplies_multiproc().

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LOGICAL,public dbcsr_methods::dbcsr_mp_has_subgroups ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 889 of file dbcsr_methods.f90.

Referenced by dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), and dbcsr_mp_operations::hybrid_alltoall_i1().

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pure subroutine,public dbcsr_methods::dbcsr_mp_hold ( TYPE(dbcsr_mp_obj),intent(inout) mp_env )

Marks another use of the mp_env.

Parameters:

[in,out] mp_env multiprocessor environment

Definition at line 789 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::cp_dbcsr_dist2d_to_dist(), and dbcsr_distribution_new().

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subroutine,public dbcsr_methods::dbcsr_mp_init ( TYPE(dbcsr_mp_obj),intent(out) mp_env )

Initializes a new process grid.

Definition at line 581 of file dbcsr_methods.f90.

Referenced by dbcsr_dist_operations::dbcsr_mp_make_env().

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INTEGER,public dbcsr_methods::dbcsr_mp_my_col_group ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 901 of file dbcsr_methods.f90.

Referenced by dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), most_alltoall(), and most_point_to_point().

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INTEGER,public dbcsr_methods::dbcsr_mp_my_row_group ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 895 of file dbcsr_methods.f90.

Referenced by dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), most_alltoall(), and most_point_to_point().

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INTEGER,public dbcsr_methods::dbcsr_mp_mynode ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 853 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::cp_dbcsr_add_block_node(), cp_dbcsr_operations::cp_dbcsr_unpack_vec(), dbcsr_operations::dbcsr_add_on_diag_anytype(), dbcsr_transformations::dbcsr_distribute(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_operations::dbcsr_init_random(), dbcsr_test_methods::dbcsr_make_random_matrix(), dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_mp_new_transposed(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), dbcsr_operations::dbcsr_sum_replicated(), dbcsr_mp_operations::hybrid_alltoall_i1(), preconditioner::make_sparse_inverse_bif(), cp_dbcsr_operations::packed_vec_alltoall(), cp_dbcsr_operations::packed_vec_bcast(), and cp_dbcsr_operations::packed_vec_reduce().

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INTEGER,public dbcsr_methods::dbcsr_mp_mypcol ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 883 of file dbcsr_methods.f90.

Referenced by dbcsr_distribution_new(), dbcsr_get_info(), dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_mp_new_transposed(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), dbcsr_dist_operations::dbcsr_reset_locals(), dbcsr_mp_operations::hybrid_alltoall_i1(), preconditioner::make_sparse_inverse_bif(), dbcsr_util::meta_from_dist(), cp_dbcsr_operations::packed_vec_alltoall(), cp_dbcsr_operations::packed_vec_bcast(), and cp_dbcsr_operations::packed_vec_reduce().

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INTEGER,public dbcsr_methods::dbcsr_mp_myprow ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 877 of file dbcsr_methods.f90.

Referenced by dbcsr_distribution_new(), dbcsr_get_info(), dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_mp_new_transposed(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), dbcsr_dist_operations::dbcsr_reset_locals(), dbcsr_mp_operations::hybrid_alltoall_i1(), preconditioner::make_sparse_inverse_bif(), dbcsr_util::meta_from_dist(), cp_dbcsr_operations::packed_vec_alltoall(), cp_dbcsr_operations::packed_vec_bcast(), and cp_dbcsr_operations::packed_vec_reduce().

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subroutine,public dbcsr_methods::dbcsr_mp_new	(	TYPE(dbcsr_mp_obj),intent(out)	mp_env,
		INTEGER,dimension(0:, 0:),intent(in)	pgrid,
		INTEGER,intent(in)	mp_group,
		INTEGER,intent(in)	mynode,
		INTEGER,intent(in),optional	numnodes,
		INTEGER,intent(in),optional	myprow,
		INTEGER,intent(in),optional	mypcol
	)

Creates new process grid.

Parameters:

[out]	mp_env	multiprocessor environment
[in]	pgrid	process grid
[in]	mynode	my processor number
[in]	numnodes	total number of processors (processes)

History: UB (2010-02-04) Duplicates own communicator and sets up cartesian grid

Definition at line 618 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_operations::cp_dbcsr_dist2d_to_dist(), cp_dbcsr_interface::cp_dbcsr_mp_new(), dbcsr_example_1(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_test_methods::dbcsr_make_null_mp(), dbcsr_dist_operations::dbcsr_mp_make_env(), and dbcsr_mp_new_transposed().

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subroutine,public dbcsr_methods::dbcsr_mp_new_transposed	(	TYPE(dbcsr_mp_obj),intent(out)	mp_t,
		TYPE(dbcsr_mp_obj),intent(in)	mp
	)

Transposes a multiprocessor environment.

Parameters:

[out]	mp_t	transposed multiprocessor environment
[in]	mp	original multiprocessor environment

Definition at line 932 of file dbcsr_methods.f90.

References dbcsr_mp_group(), dbcsr_mp_mynode(), dbcsr_mp_mypcol(), dbcsr_mp_myprow(), dbcsr_mp_new(), dbcsr_mp_numnodes(), and dbcsr_mp_pgrid().

Referenced by dbcsr_dist_operations::dbcsr_create_dist_l_rot(), dbcsr_dist_operations::dbcsr_create_dist_r_rot(), and dbcsr_dist_operations::dbcsr_transpose_distribution().

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INTEGER,public dbcsr_methods::dbcsr_mp_npcols ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 871 of file dbcsr_methods.f90.

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INTEGER,public dbcsr_methods::dbcsr_mp_nprows ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 865 of file dbcsr_methods.f90.

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INTEGER,public dbcsr_methods::dbcsr_mp_numnodes ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 847 of file dbcsr_methods.f90.

Referenced by dbcsr_io::all_print(), dbcsr_transformations::dbcsr_complete_redistribute(), dbcsr_transformations::dbcsr_datablock_redistribute(), dbcsr_transformations::dbcsr_desymmetrize_deep(), dbcsr_test_methods::dbcsr_make_random_matrix(), dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_mp_new_transposed(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_transformations::dbcsr_redistribute(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), dbcsr_operations::dbcsr_sum_replicated(), dbcsr_mp_operations::hybrid_alltoall_i1(), dbcsr_transformations::make_images(), preconditioner::make_sparse_inverse_bif(), cp_dbcsr_operations::packed_vec_alltoall(), cp_dbcsr_operations::packed_vec_bcast(), and cp_dbcsr_operations::packed_vec_reduce().

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INTEGER,dimension(:, :),pointer,public dbcsr_methods::dbcsr_mp_pgrid ( TYPE(dbcsr_mp_obj),intent(in) mp_env )

Definition at line 841 of file dbcsr_methods.f90.

Referenced by dbcsr_io::dbcsr_binary_write(), dbcsr_transformations::dbcsr_complete_redistribute(), dbcsr_transformations::dbcsr_desymmetrize_deep(), dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), dbcsr_mp_new_transposed(), dbcsr_mp_pgrid_equal(), dbcsr_transformations::dbcsr_redistribute(), dbcsr_transformations::dbcsr_replicate(), dbcsr_mp_operations::hybrid_alltoall_i1(), dbcsr_transformations::make_images(), cp_dbcsr_operations::packed_vec_alltoall(), cp_dbcsr_operations::packed_vec_bcast(), and cp_dbcsr_operations::packed_vec_reduce().

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LOGICAL,public dbcsr_methods::dbcsr_mp_pgrid_equal	(	TYPE(dbcsr_mp_obj),intent(in)	mp_env1,
		TYPE(dbcsr_mp_obj),intent(in)	mp_env2
	)

Definition at line 907 of file dbcsr_methods.f90.

References dbcsr_mp_nprows(), and dbcsr_mp_pgrid().

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subroutine,public dbcsr_methods::dbcsr_mp_release ( TYPE(dbcsr_mp_obj),intent(inout) mp_env )

Releases and potentially destrops an mp_env.

Parameters:

[in,out] mp_env multiprocessor environment

Definition at line 801 of file dbcsr_methods.f90.

References dbcsr_mp_grid_remove().

Referenced by cp_dbcsr_operations::cp_dbcsr_dist2d_to_dist(), cp_dbcsr_interface::cp_dbcsr_mp_release(), dbcsr_tests::cp_test_multiplies(), dbcsr_dist_operations::dbcsr_create_dist_l_rot(), dbcsr_dist_operations::dbcsr_create_dist_r_rot(), dbcsr_distribution_release(), dbcsr_example_1(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_test_methods::dbcsr_make_null_dist(), dbcsr_dist_operations::dbcsr_transpose_distribution(), and dbcsr_tests::test_multiplies_multiproc().

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subroutine,public dbcsr_methods::dbcsr_mutable_destroy ( TYPE(dbcsr_mutable_obj),intent(inout) mutable )

Destroys a mutable data type.

Parameters:

[in,out] mutable mutable data

Definition at line 2730 of file dbcsr_methods.f90.

Referenced by dbcsr_mutable_release(), and dbcsr_work_operations::dbcsr_work_destroy().

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subroutine,public dbcsr_methods::dbcsr_mutable_hold ( TYPE(dbcsr_mutable_obj),intent(inout) mutable )

Registers another reference to the mutable data type.

Parameters:

[in,out] mutable mutable data

Definition at line 2755 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, and dbcsr_error_handling::dbcsr_fatal_level.

subroutine,public dbcsr_methods::dbcsr_mutable_init ( TYPE(dbcsr_mutable_obj),intent(out) mutable )

Initializes a mutable data type.

Parameters:

[out] mutable mutable data

Definition at line 2715 of file dbcsr_methods.f90.

Referenced by dbcsr_work_operations::dbcsr_init_wm().

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LOGICAL,public dbcsr_methods::dbcsr_mutable_instantiated ( TYPE(dbcsr_mutable_obj),intent(in) mutable )

Deregisters a reference to the mutable data type.

The object is destroy when there is no reference to it left.

Parameters:

[in]	mutable	mutable data
[out]	instantiated	whether the object is instantiated

Definition at line 2835 of file dbcsr_methods.f90.

Referenced by dbcsr_work_operations::dbcsr_fill_wm_from_matrix(), dbcsr_block_access::dbcsr_get_block_p_area(), and dbcsr_wm_use_mutable().

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subroutine,public dbcsr_methods::dbcsr_mutable_new	(	TYPE(dbcsr_mutable_obj),intent(inout)	mutable,
		INTEGER,intent(in)	data_type
	)

Creates a new mutable instance.

Parameters:

[in,out]	mutable	mutable data
[in]	data_type	data type to be stored here (see dbcsr_types for possibilities)

Definition at line 2801 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_fatal_level, dbcsr_types::dbcsr_type_complex_4, dbcsr_types::dbcsr_type_complex_8, dbcsr_types::dbcsr_type_real_4, dbcsr_types::dbcsr_type_real_8, and dbcsr_error_handling::dbcsr_wrong_args_error.

Referenced by dbcsr_work_operations::dbcsr_fill_wm_from_matrix(), and dbcsr_work_operations::dbcsr_work_create().

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subroutine,public dbcsr_methods::dbcsr_mutable_release ( TYPE(dbcsr_mutable_obj),intent(inout) mutable )

Deregisters a reference to the mutable data type.

The object is destroy when there is no reference to it left.

Parameters:

[in,out] mutable mutable data

Definition at line 2776 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_error_handling::dbcsr_fatal_level, and dbcsr_mutable_destroy().

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CHARACTER(len=default_string_length),public dbcsr_methods::dbcsr_name ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1526 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_name(), dbcsr_io::dbcsr_binary_write(), dbcsr_operations::dbcsr_copy(), dbcsr_work_operations::dbcsr_create_template(), dbcsr_performance_multiply::perf_multiply(), dbcsr_test_add::test_add(), dbcsr_tests::test_multiplies_multiproc(), and dbcsr_test_multiply::test_multiply().

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INTEGER,public dbcsr_methods::dbcsr_nblkcols_local ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1488 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_nblkcols_local(), and dbcsr_mm_cannon::setup_rec_index().

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INTEGER,public dbcsr_methods::dbcsr_nblkcols_total ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1464 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_nblkcols_total(), dbcsr_operations::dbcsr_add_on_diag_anytype(), dbcsr_io::dbcsr_binary_write(), dbcsr_transformations::dbcsr_complete_redistribute(), dbcsr_operations::dbcsr_crop_matrix(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_operations::dbcsr_init_random(), dbcsr_test_methods::dbcsr_make_random_matrix(), dbcsr_index_operations::dbcsr_order_matrix_index(), dbcsr_operations::dbcsr_scale_mat_any(), dbcsr_mm_cannon::setup_rec_index(), dbcsr_test_add::test_add(), dbcsr_tests::test_multiplies_multiproc(), and dbcsr_test_multiply::test_multiply().

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INTEGER,public dbcsr_methods::dbcsr_nblkrows_local ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1482 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_nblkrows_local(), dbcsr_mm_cannon::dbcsr_mm_cannon_multiply(), and dbcsr_mm_cannon::setup_rec_index().

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INTEGER,public dbcsr_methods::dbcsr_nblkrows_total ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1457 of file dbcsr_methods.f90.

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INTEGER,public dbcsr_methods::dbcsr_nfullcols_local ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1500 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_nfullcols_local(), and dbcsr_mm_cannon::dbcsr_mm_cannon_multiply().

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INTEGER,public dbcsr_methods::dbcsr_nfullcols_total ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1476 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_nfullcols_total(), dbcsr_transformations::dbcsr_complete_redistribute(), dbcsr_operations::dbcsr_crop_matrix(), dbcsr_operations::dbcsr_gershgorin_norm_r8(), dbcsr_get_occupation(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_operations::dbcsr_norm_anytype(), dbcsr_operations::dbcsr_scale_anytype(), dbcsr_test_add::dbcsr_test_add_low(), dbcsr_test_multiply::dbcsr_test_multiply_low(), dbcsr_performance_multiply::perf_multiply(), dbcsr_test_add::test_add(), and dbcsr_test_multiply::test_multiply().

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INTEGER,public dbcsr_methods::dbcsr_nfullrows_local ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1494 of file dbcsr_methods.f90.

Referenced by cp_dbcsr_interface::cp_dbcsr_nfullrows_local(), and dbcsr_mm_cannon::dbcsr_mm_cannon_multiply().

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INTEGER,public dbcsr_methods::dbcsr_nfullrows_total ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1470 of file dbcsr_methods.f90.

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subroutine dbcsr_methods::dbcsr_read_lock ( TYPE(dbcsr_obj),intent(inout) matrix ) [private]

Locks the DBCSR data structure for reading.

Parameters:

[in,out] matrix the matrix to lock

Definition at line 768 of file dbcsr_methods.f90.

subroutine dbcsr_methods::dbcsr_read_unlock ( TYPE(dbcsr_obj),intent(inout) matrix ) [private]

Releases the reading lock on a DBCSR data structure.

Parameters:

[in,out] matrix the matrix to lock

Definition at line 778 of file dbcsr_methods.f90.

recursive subroutine,public dbcsr_methods::dbcsr_release ( TYPE(dbcsr_obj),intent(inout) matrix )

Releases a reference for a DBCSR matrix.

If there are no references left, the matrix is destroyed.

Parameters:

[in,out] set DBCSR matrix

Definition at line 410 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_destroy(), dbcsr_types::dbcsr_magic_number, and dbcsr_error_handling::dbcsr_warning_level.

Referenced by array_destroy_1d(), array_destroy_2d(), cp_dbcsr_interface::cp_dbcsr_release(), dbcsr_tests::cp_test_multiplies(), dbcsr_transformations::dbcsr_distribute(), dbcsr_example_1(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_operations::dbcsr_lanczos_extremal_eig(), dbcsr_transformations::dbcsr_make_images_dense(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_transformations::dbcsr_new_transposed(), dbcsr_performance_multiply::dbcsr_perf_multiply_low(), dbcsr_operations::dbcsr_reduce(), dbcsr_transformations::dbcsr_replicate(), dbcsr_test_add::dbcsr_test_add_low(), dbcsr_test_multiply::dbcsr_test_multiply_low(), dbcsr_performance_multiply::perf_multiply(), dbcsr_test_add::test_add(), dbcsr_tests::test_multiplies_multiproc(), and dbcsr_test_multiply::test_multiply().

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subroutine,public dbcsr_methods::dbcsr_release_locals	(	TYPE(dbcsr_obj),intent(inout)	matrix,
		TYPE(dbcsr_error_type),intent(inout)	error
	)

Definition at line 540 of file dbcsr_methods.f90.

Referenced by dbcsr_destroy(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_dist_operations::dbcsr_reset_locals(), and dbcsr_dist_operations::dbcsr_reset_vlocals().

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subroutine,public dbcsr_methods::dbcsr_release_p	(	TYPE(dbcsr_obj),pointer	matrix,
		TYPE(dbcsr_error_type),intent(inout)	error
	)

Releases a reference for a DBCSR matrix.

If there are no references left, the matrix is destroyed.

Parameters:

[in,out] set DBCSR matrix

Definition at line 438 of file dbcsr_methods.f90.

References dbcsr_error_handling::dbcsr_caller_error, dbcsr_destroy(), dbcsr_types::dbcsr_magic_number, and dbcsr_error_handling::dbcsr_warning_level.

Referenced by dbcsr_init_obj_p().

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TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_row_block_offsets ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1585 of file dbcsr_methods.f90.

Referenced by dbcsr_operations::dbcsr_crop_matrix(), dbcsr_operations::dbcsr_multiply_anytype(), dbcsr_performance_multiply::perf_multiply(), and dbcsr_test_multiply::test_multiply().

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TYPE(array_i1d_obj),public dbcsr_methods::dbcsr_row_block_sizes ( TYPE(dbcsr_obj),intent(in) matrix )

Definition at line 1564 of file dbcsr_methods.f90.

Referenced by dbcsr_work_operations::dbcsr_create_template(), dbcsr_example_2(), dbcsr_example_3(), dbcsr_get_data_size_used(), dbcsr_transformations::dbcsr_make_untransposed_blocks(), dbcsr_operations::dbcsr_reduce(), dbcsr_performance_multiply::perf_multiply(), dbcsr_test_add::test_add(), dbcsr_tests::test_multiplies_multiproc(), and dbcsr_test_multiply::test_multiply().

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subroutine,public dbcsr_methods::dbcsr_switch_data_area	(	TYPE(dbcsr_obj),intent(inout)	matrix,
		TYPE(dbcsr_data_obj),intent(in)	data_area,
		TYPE(dbcsr_data_obj),intent(out),optional	previous_data_area,
		TYPE(dbcsr_error_type),intent(inout)	error
	)

Sets the data area of a matrix.

Parameters:

[in,out]	matrix	matrix for which to set the data area
[in]	data_area	data area to set
[out]	previous_data_area	(optional) previous data area
[in,out]	error	error