Procedures

ProcedureLocationProcedure TypeDescription
acc_calculate_norms dbcsr_mm_common Subroutine

calculate norms for a set of blocks in matrix whose row and col sizes are given

acc_device_synchronize dbcsr_acc_device Subroutine

Fortran-wrapper for waiting for work on all streams to complete

acc_devmem_allocate_bytes dbcsr_acc_devmem Subroutine

Allocates a given devmem.

acc_devmem_allocated dbcsr_acc_devmem Function

Returns a logical, which indicates if the given devmem is allocated.

acc_devmem_cptr dbcsr_acc_devmem Function

Returns C-pointer to data of given devmem.

acc_devmem_deallocate dbcsr_acc_devmem Subroutine

Deallocates a given devmem.

acc_devmem_dev2host dbcsr_acc_devmem Interface
acc_devmem_ensure_size_bytes dbcsr_acc_devmem Subroutine

Ensures that given devmem has at least the requested size.

acc_devmem_host2dev dbcsr_acc_devmem Interface
acc_devmem_info dbcsr_acc_devmem Subroutine
acc_devmem_set_cptr dbcsr_acc_devmem Subroutine

Allocates a given devmem.

acc_devmem_setzero_bytes dbcsr_acc_devmem Subroutine

Sets entries in given devmem to zero, asynchronously.

acc_devmem_size_in_bytes dbcsr_acc_devmem Function

Returns size of given devmem in terms of item count (not bytes!)

acc_event_create dbcsr_acc_event Subroutine

Fortran-wrapper for creation of a CUDA/HIP event.

acc_event_destroy dbcsr_acc_event Subroutine

Fortran-wrapper for destruction of a CUDA/HIP event.

acc_event_query dbcsr_acc_event Function

Fortran-wrapper for querying a CUDA/HIP event's status.

acc_event_record dbcsr_acc_event Subroutine

Fortran-wrapper for recording a CUDA/HIP event.

acc_event_synchronize dbcsr_acc_event Subroutine

Fortran-wrapper for waiting for the completion of a HIP/CUDA event.

acc_finalize dbcsr_acc_init Subroutine
acc_hostmem_alloc_c4 dbcsr_acc_hostmem Subroutine

Allocates 1D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_c4_2D dbcsr_acc_hostmem Subroutine

Allocates 2D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_c8 dbcsr_acc_hostmem Subroutine

Allocates 1D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_c8_2D dbcsr_acc_hostmem Subroutine

Allocates 2D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_i4 dbcsr_acc_hostmem Subroutine

Allocates 1D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_i4_2D dbcsr_acc_hostmem Subroutine

Allocates 2D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_i8 dbcsr_acc_hostmem Subroutine

Allocates 1D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_i8_2D dbcsr_acc_hostmem Subroutine

Allocates 2D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_r4 dbcsr_acc_hostmem Subroutine

Allocates 1D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_r4_2D dbcsr_acc_hostmem Subroutine

Allocates 2D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_r8 dbcsr_acc_hostmem Subroutine

Allocates 1D fortan-array as GPU host-pinned memory.

acc_hostmem_alloc_r8_2D dbcsr_acc_hostmem Subroutine

Allocates 2D fortan-array as GPU host-pinned memory.

acc_hostmem_allocate dbcsr_acc_hostmem Interface
acc_hostmem_dealloc_c4 dbcsr_acc_hostmem Subroutine

Deallocates a 1D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_c4_2D dbcsr_acc_hostmem Subroutine

Deallocates a 2D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_c8 dbcsr_acc_hostmem Subroutine

Deallocates a 1D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_c8_2D dbcsr_acc_hostmem Subroutine

Deallocates a 2D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_i4 dbcsr_acc_hostmem Subroutine

Deallocates a 1D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_i4_2D dbcsr_acc_hostmem Subroutine

Deallocates a 2D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_i8 dbcsr_acc_hostmem Subroutine

Deallocates a 1D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_i8_2D dbcsr_acc_hostmem Subroutine

Deallocates a 2D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_r4 dbcsr_acc_hostmem Subroutine

Deallocates a 1D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_r4_2D dbcsr_acc_hostmem Subroutine

Deallocates a 2D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_r8 dbcsr_acc_hostmem Subroutine

Deallocates a 1D fortan-array, which is GPU host-pinned memory.

acc_hostmem_dealloc_r8_2D dbcsr_acc_hostmem Subroutine

Deallocates a 2D fortan-array, which is GPU host-pinned memory.

acc_hostmem_deallocate dbcsr_acc_hostmem Interface
acc_init dbcsr_acc_init Subroutine
acc_stream_associated dbcsr_acc_stream Function

Checks if a streams is associated

acc_stream_cptr dbcsr_acc_stream Function

Returns C-pointer of given stream.

acc_stream_create dbcsr_acc_stream Subroutine

Fortran-wrapper for creation of a CUDA/HIP stream.

acc_stream_destroy dbcsr_acc_stream Subroutine

Fortran-wrapper for destruction of a CUDA/HIP stream.

acc_stream_equal dbcsr_acc_stream Function

Checks if two streams are equal

acc_stream_priority_range dbcsr_acc_stream Subroutine

Fortran-wrapper for getting CUDA/HIP streams' priority range.

acc_stream_synchronize dbcsr_acc_stream Subroutine

Fortran-wrapper for waiting for CUDA/HIP stream tasks to complete.

acc_stream_wait_event dbcsr_acc_event Subroutine

Fortran-wrapper for making a GPU compute stream wait on an event. Because of fortran circular dependency restriction this can not go into acc_stream.F

acc_transpose_blocks dbcsr_mm_common Subroutine

write out a stack for transposing the blocks

accept_pdims_loadbalancing dbcsr_tensor_types Function

load balancing criterion whether to accept process grid dimension based on total number of cores and tensor dimension

accept_pgrid_dims dbcsr_tas_split Function

Whether to accept proposed process grid dimensions (based on ratio of dimensions)

add_mp_perf_env dbcsr_mpiwrap Subroutine

start and stop the performance indicators for every call to start there has to be (exactly) one call to stop

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add_timer_env dbcsr_timings Subroutine

adds the given timer_env to the top of the stack

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add_work_coordinate dbcsr_work_operations Subroutine

Adds a coordinate (or other data) into a work matrix's row_i and col_i arrays and returns its position.

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align_tensor dbcsr_tensor Subroutine

align tensor index with data

allocate_1d_c_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_1d_c_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_1d_i dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_1d_r_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_1d_r_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_2d_c_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_2d_c_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_2d_i dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_2d_r_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_2d_r_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_3d_c_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_3d_c_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_3d_i dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_3d_r_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_3d_r_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_4d_c_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_4d_c_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_4d_i dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_4d_r_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_4d_r_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_5d_c_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_5d_c_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_5d_i dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_5d_r_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_5d_r_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_6d_c_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_6d_c_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_6d_i dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_6d_r_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_6d_r_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_7d_c_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_7d_c_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_7d_i dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_7d_r_dp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_7d_r_sp dbcsr_allocate_wrap Subroutine

Allocate array according to shape_spec. Possibly assign array from source.

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allocate_and_get_ith_array dbcsr_array_list_methods Subroutine

get ith array

allocate_any dbcsr_allocate_wrap Interface
arb_dist dbcsr_tas_global Function
arb_rowcols dbcsr_tas_global Function
array_data dbcsr_array_types Interface
array_data_i1d dbcsr_array_types Function
array_eq dbcsr_tas_util Interface
array_eq_i dbcsr_array_list_methods Function

check whether two arrays are equal

array_eq_i dbcsr_tas_util Function
array_eq_i8 dbcsr_tas_util Function
array_equality dbcsr_array_types Interface
array_equality_i1 dbcsr_array_types Function
array_equality_i1d dbcsr_array_types Function
array_exists dbcsr_array_types Interface
array_exists_i1d dbcsr_array_types Function
array_get dbcsr_array_types Interface
array_get_i1 dbcsr_array_types Function
array_get_i1d dbcsr_array_types Function
array_hold dbcsr_array_types Interface
array_hold_i1d dbcsr_array_types Subroutine
array_new dbcsr_array_types Interface
array_new_i1d dbcsr_array_types Subroutine
array_new_i1d_lb dbcsr_array_types Subroutine
array_nullify dbcsr_array_types Interface
array_nullify_i1d dbcsr_array_types Subroutine
array_offsets dbcsr_array_list_methods Subroutine

partial sums of array elements.

array_release dbcsr_array_types Interface
array_release_i1d dbcsr_array_types Subroutine
array_size dbcsr_array_types Interface
array_size_i1d dbcsr_array_types Function
array_sublist dbcsr_array_list_methods Function

extract a subset of arrays

assign_preconnection dbcsr_files Subroutine

Add an entry to the list of preconnected units

atoi dbcsr_toollib Function
atol dbcsr_toollib Function
ator dbcsr_toollib Function
blas_process_mm_stack_c dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues BLAS xGEMM calls

blas_process_mm_stack_d dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues BLAS xGEMM calls

blas_process_mm_stack_s dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues BLAS xGEMM calls

blas_process_mm_stack_z dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues BLAS xGEMM calls

blk_dims_tensor dbcsr_tensor_types Subroutine

tensor block dimensions

blk_size_arb dbcsr_tas_global Function
blk_size_one dbcsr_tas_global Function
blk_size_repl dbcsr_tas_global Function
block_add dbcsr_block_operations Interface
block_add_anytype dbcsr_block_operations Subroutine

Adds two blocks

block_add_anytype_bounds dbcsr_block_operations Subroutine

Adds two blocks

block_add_c dbcsr_block_operations Subroutine
block_add_d dbcsr_block_operations Subroutine
block_add_s dbcsr_block_operations Subroutine
block_add_z dbcsr_block_operations Subroutine
block_buffer_add_anyd_block dbcsr_tensor_reshape Subroutine

insert a block into block buffer (at current iterator position)

block_buffer_add_area_block dbcsr_tas_reshape_ops Subroutine
block_buffer_add_block dbcsr_tensor_reshape Interface
block_buffer_add_block dbcsr_tas_reshape_ops Interface
block_buffer_add_block_c_dp dbcsr_tensor_reshape Subroutine

add block to buffer.

block_buffer_add_block_c_dp dbcsr_tas_reshape_ops Subroutine

insert a block into block buffer (at current iterator position)

block_buffer_add_block_c_sp dbcsr_tensor_reshape Subroutine

add block to buffer.

block_buffer_add_block_c_sp dbcsr_tas_reshape_ops Subroutine

insert a block into block buffer (at current iterator position)

block_buffer_add_block_r_dp dbcsr_tensor_reshape Subroutine

add block to buffer.

block_buffer_add_block_r_dp dbcsr_tas_reshape_ops Subroutine

insert a block into block buffer (at current iterator position)

block_buffer_add_block_r_sp dbcsr_tensor_reshape Subroutine

add block to buffer.

block_buffer_add_block_r_sp dbcsr_tas_reshape_ops Subroutine

insert a block into block buffer (at current iterator position)

block_buffer_blocks_left dbcsr_tensor_reshape Function

how many blocks left in iterator

block_buffer_blocks_left dbcsr_tas_reshape_ops Function

how many blocks left in iterator

block_buffer_create dbcsr_tensor_reshape Subroutine

Create block buffer for MPI communication.

block_buffer_create dbcsr_tas_reshape_ops Subroutine

Create block buffer for MPI communication.

block_buffer_destroy dbcsr_tensor_reshape Subroutine
block_buffer_destroy dbcsr_tas_reshape_ops Subroutine
block_buffer_get_index dbcsr_tensor_reshape Subroutine

Get all indices from buffer

block_buffer_get_index dbcsr_tas_reshape_ops Subroutine

get all indices from buffer

block_buffer_get_next_anyd_block dbcsr_tensor_reshape Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_buffer_get_next_area_block dbcsr_tas_reshape_ops Subroutine
block_buffer_get_next_block dbcsr_tas_reshape_ops Interface
block_buffer_get_next_block_c_dp dbcsr_tensor_reshape Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_buffer_get_next_block_c_dp dbcsr_tas_reshape_ops Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_buffer_get_next_block_c_sp dbcsr_tensor_reshape Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_buffer_get_next_block_c_sp dbcsr_tas_reshape_ops Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_buffer_get_next_block_r_dp dbcsr_tensor_reshape Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_buffer_get_next_block_r_dp dbcsr_tas_reshape_ops Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_buffer_get_next_block_r_sp dbcsr_tensor_reshape Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_buffer_get_next_block_r_sp dbcsr_tas_reshape_ops Subroutine

get next block from buffer. Iterator is advanced only if block is retrieved or advance_iter.

block_copy_1d1d_c dbcsr_block_operations Subroutine

Copy a block

block_copy_1d1d_d dbcsr_block_operations Subroutine

Copy a block

block_copy_1d1d_s dbcsr_block_operations Subroutine

Copy a block

block_copy_1d1d_z dbcsr_block_operations Subroutine

Copy a block

block_copy_1d2d_c dbcsr_block_operations Subroutine

Copy and transpose block.

block_copy_1d2d_d dbcsr_block_operations Subroutine

Copy and transpose block.

block_copy_1d2d_s dbcsr_block_operations Subroutine

Copy and transpose block.

block_copy_1d2d_z dbcsr_block_operations Subroutine

Copy and transpose block.

block_copy_2d1d_c dbcsr_block_operations Subroutine

Copy a block

block_copy_2d1d_d dbcsr_block_operations Subroutine

Copy a block

block_copy_2d1d_s dbcsr_block_operations Subroutine

Copy a block

block_copy_2d1d_z dbcsr_block_operations Subroutine

Copy a block

block_copy_2d2d_c dbcsr_block_operations Subroutine

Copy a block

block_copy_2d2d_d dbcsr_block_operations Subroutine

Copy a block

block_copy_2d2d_s dbcsr_block_operations Subroutine

Copy a block

block_copy_2d2d_z dbcsr_block_operations Subroutine

Copy a block

block_copy_c dbcsr_block_operations Subroutine

Copy a block

block_copy_d dbcsr_block_operations Subroutine

Copy a block

block_copy_s dbcsr_block_operations Subroutine

Copy a block

block_copy_z dbcsr_block_operations Subroutine

Copy a block

block_index_global_to_local dbcsr_tas_split Subroutine

map global block index to group local index

block_index_local_to_global dbcsr_tas_split Subroutine

map group local block index to global matrix index

block_minabsdiff dbcsr_tensor_example_1 Function
block_partial_copy_1d2d_c dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_1d2d_d dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_1d2d_s dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_1d2d_z dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_2d1d_c dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_2d1d_d dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_2d1d_s dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_2d1d_z dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_2d2d_c dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_2d2d_d dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_2d2d_s dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_2d2d_z dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_c dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_d dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_s dbcsr_block_operations Subroutine

Copies a block subset

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block_partial_copy_z dbcsr_block_operations Subroutine

Copies a block subset

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block_size dbcsr_tensor_block Function

block size

block_transpose_copy_1d2d_c dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_1d2d_d dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_1d2d_s dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_1d2d_z dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_2d1d_c dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_2d1d_d dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_2d1d_s dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_2d1d_z dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_c dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_d dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_s dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_copy_z dbcsr_block_operations Subroutine

Copy and transpose block.

block_transpose_inplace_c dbcsr_block_operations Subroutine

In-place block transpose.

block_transpose_inplace_d dbcsr_block_operations Subroutine

In-place block transpose.

block_transpose_inplace_s dbcsr_block_operations Subroutine

In-place block transpose.

block_transpose_inplace_z dbcsr_block_operations Subroutine

In-place block transpose.

blocks_equal dbcsr_tensor_test Function

check if two blocks are equal

bswap dbcsr_toollib Subroutine

Swaps two logicals

btree_add dbcsr_btree Interface
btree_add_i8_cp2d dbcsr_btree Subroutine
btree_add_i8_dp2d dbcsr_btree Subroutine
btree_add_i8_sp2d dbcsr_btree Subroutine
btree_add_i8_zp2d dbcsr_btree Subroutine
btree_add_into_i8_cp2d dbcsr_btree Subroutine
btree_add_into_i8_dp2d dbcsr_btree Subroutine
btree_add_into_i8_sp2d dbcsr_btree Subroutine
btree_add_into_i8_zp2d dbcsr_btree Subroutine
btree_adopt_subtrees_i8_cp2d dbcsr_btree Subroutine
btree_adopt_subtrees_i8_dp2d dbcsr_btree Subroutine
btree_adopt_subtrees_i8_sp2d dbcsr_btree Subroutine
btree_adopt_subtrees_i8_zp2d dbcsr_btree Subroutine
btree_delete dbcsr_btree Interface
btree_delete_i8_cp2d dbcsr_btree Subroutine
btree_delete_i8_dp2d dbcsr_btree Subroutine
btree_delete_i8_sp2d dbcsr_btree Subroutine
btree_delete_i8_zp2d dbcsr_btree Subroutine
btree_delete_node_i8_cp2d dbcsr_btree Subroutine
btree_delete_node_i8_dp2d dbcsr_btree Subroutine
btree_delete_node_i8_sp2d dbcsr_btree Subroutine
btree_delete_node_i8_zp2d dbcsr_btree Subroutine
btree_find dbcsr_btree Interface
btree_find_full_i8_cp2d dbcsr_btree Subroutine
btree_find_full_i8_dp2d dbcsr_btree Subroutine
btree_find_full_i8_sp2d dbcsr_btree Subroutine
btree_find_full_i8_zp2d dbcsr_btree Subroutine
btree_find_i8_cp2d dbcsr_btree Subroutine
btree_find_i8_dp2d dbcsr_btree Subroutine
btree_find_i8_sp2d dbcsr_btree Subroutine
btree_find_i8_zp2d dbcsr_btree Subroutine
btree_find_leaf_i8_cp2d dbcsr_btree Subroutine
btree_find_leaf_i8_dp2d dbcsr_btree Subroutine
btree_find_leaf_i8_sp2d dbcsr_btree Subroutine
btree_find_leaf_i8_zp2d dbcsr_btree Subroutine
btree_free_node_i8_cp2d dbcsr_btree Subroutine
btree_free_node_i8_dp2d dbcsr_btree Subroutine
btree_free_node_i8_sp2d dbcsr_btree Subroutine
btree_free_node_i8_zp2d dbcsr_btree Subroutine
btree_get_entries dbcsr_btree Interface
btree_get_entries_i8_cp2d dbcsr_btree Function
btree_get_entries_i8_dp2d dbcsr_btree Function
btree_get_entries_i8_sp2d dbcsr_btree Function
btree_get_entries_i8_zp2d dbcsr_btree Function
btree_left_insertion_i8_cp2d dbcsr_btree Subroutine
btree_left_insertion_i8_dp2d dbcsr_btree Subroutine
btree_left_insertion_i8_sp2d dbcsr_btree Subroutine
btree_left_insertion_i8_zp2d dbcsr_btree Subroutine
btree_new dbcsr_btree Interface
btree_new_i8_cp2d dbcsr_btree Subroutine
btree_new_i8_dp2d dbcsr_btree Subroutine
btree_new_i8_sp2d dbcsr_btree Subroutine
btree_new_i8_zp2d dbcsr_btree Subroutine
btree_new_node_i8_cp2d dbcsr_btree Subroutine
btree_new_node_i8_dp2d dbcsr_btree Subroutine
btree_new_node_i8_sp2d dbcsr_btree Subroutine
btree_new_node_i8_zp2d dbcsr_btree Subroutine
btree_new_root_i8_cp2d dbcsr_btree Subroutine
btree_new_root_i8_dp2d dbcsr_btree Subroutine
btree_new_root_i8_sp2d dbcsr_btree Subroutine
btree_new_root_i8_zp2d dbcsr_btree Subroutine
btree_node_find_ge_pos_i8_cp2d dbcsr_btree Subroutine
btree_node_find_ge_pos_i8_dp2d dbcsr_btree Subroutine
btree_node_find_ge_pos_i8_sp2d dbcsr_btree Subroutine
btree_node_find_ge_pos_i8_zp2d dbcsr_btree Subroutine
btree_node_find_gt_pos_i8_cp2d dbcsr_btree Subroutine
btree_node_find_gt_pos_i8_dp2d dbcsr_btree Subroutine
btree_node_find_gt_pos_i8_sp2d dbcsr_btree Subroutine
btree_node_find_gt_pos_i8_zp2d dbcsr_btree Subroutine
btree_node_find_gte_pos_i8_cp2d dbcsr_btree Subroutine
btree_node_find_gte_pos_i8_dp2d dbcsr_btree Subroutine
btree_node_find_gte_pos_i8_sp2d dbcsr_btree Subroutine
btree_node_find_gte_pos_i8_zp2d dbcsr_btree Subroutine
btree_right_insertion_i8_cp2d dbcsr_btree Subroutine
btree_right_insertion_i8_dp2d dbcsr_btree Subroutine
btree_right_insertion_i8_sp2d dbcsr_btree Subroutine
btree_right_insertion_i8_zp2d dbcsr_btree Subroutine
btree_simple_insertion_i8_cp2d dbcsr_btree Subroutine
btree_simple_insertion_i8_dp2d dbcsr_btree Subroutine
btree_simple_insertion_i8_sp2d dbcsr_btree Subroutine
btree_simple_insertion_i8_zp2d dbcsr_btree Subroutine
bubble_down dbcsr_min_heap Subroutine

Balances a heap by bubbling down from the given element.

bubble_up dbcsr_min_heap Subroutine

Balances a heap by bubbling up from the given element.

buffer_init dbcsr_mm_3d Subroutine

Init buffer

buffer_matrices_ensure_size dbcsr_mm_cannon Subroutine

Enlarge left_set and right_set to hold any a/b-panel. left_set and right_set are created by make_images to hold the a/b-panels used for the initial cannon-tick. This routine ensures that these buffers can hold any a/b-panel occurring during a matrix multiply and makes them therefore suitable as buffers for the entire cannon algorithm. This saves memory since no separate buffers for the first cannon-tick have to be allocated.

buffer_release dbcsr_mm_3d Subroutine

Release buffer

buffers_release dbcsr_mm_3d Subroutine

Release all buffers

build_csr_index dbcsr_mm_csr Subroutine

Builds and sorts a CSR index from a list index.

c_dbcsr_add_c dbcsr_api_c Subroutine
c_dbcsr_add_d dbcsr_api_c Subroutine
c_dbcsr_add_on_diag_c dbcsr_api_c Subroutine
c_dbcsr_add_on_diag_d dbcsr_api_c Subroutine
c_dbcsr_add_on_diag_s dbcsr_api_c Subroutine
c_dbcsr_add_on_diag_z dbcsr_api_c Subroutine
c_dbcsr_add_s dbcsr_api_c Subroutine
c_dbcsr_add_z dbcsr_api_c Subroutine
c_dbcsr_binary_read dbcsr_api_c Subroutine
c_dbcsr_binary_write dbcsr_api_c Subroutine
c_dbcsr_checksum dbcsr_api_c Function
c_dbcsr_clear dbcsr_api_c Subroutine
c_dbcsr_clear_mempools dbcsr_api_c Subroutine
c_dbcsr_complete_redistribute dbcsr_api_c Subroutine
c_dbcsr_copy dbcsr_api_c Subroutine
c_dbcsr_copy_into_existing dbcsr_api_c Subroutine
c_dbcsr_create_new dbcsr_api_c Subroutine
c_dbcsr_create_template dbcsr_api_c Subroutine
c_dbcsr_desymmetrize dbcsr_api_c Subroutine
c_dbcsr_distribute dbcsr_api_c Subroutine
c_dbcsr_distribution_get dbcsr_api_c Subroutine
c_dbcsr_distribution_hold dbcsr_api_c Subroutine
c_dbcsr_distribution_new dbcsr_api_c Subroutine
c_dbcsr_distribution_release dbcsr_api_c Subroutine
c_dbcsr_dot_c dbcsr_api_c Subroutine
c_dbcsr_dot_d dbcsr_api_c Subroutine
c_dbcsr_dot_s dbcsr_api_c Subroutine
c_dbcsr_dot_z dbcsr_api_c Subroutine
c_dbcsr_filter dbcsr_api_c Subroutine
c_dbcsr_finalise_lib dbcsr_api_c Subroutine
c_dbcsr_finalize dbcsr_api_c Subroutine
c_dbcsr_frobenius_norm dbcsr_api_c Function
c_dbcsr_function_of_elements dbcsr_api_c Subroutine
c_dbcsr_gershgorin_norm dbcsr_api_c Function
c_dbcsr_get_block_diag dbcsr_api_c Subroutine
c_dbcsr_get_block_notrans_p_c dbcsr_api_c Subroutine
c_dbcsr_get_block_notrans_p_d dbcsr_api_c Subroutine
c_dbcsr_get_block_notrans_p_s dbcsr_api_c Subroutine
c_dbcsr_get_block_notrans_p_z dbcsr_api_c Subroutine
c_dbcsr_get_block_p_c dbcsr_api_c Subroutine
c_dbcsr_get_block_p_d dbcsr_api_c Subroutine
c_dbcsr_get_block_p_s dbcsr_api_c Subroutine
c_dbcsr_get_block_p_z dbcsr_api_c Subroutine
c_dbcsr_get_col_blk_offset dbcsr_api_c Subroutine
c_dbcsr_get_col_blk_size dbcsr_api_c Subroutine
c_dbcsr_get_data_c dbcsr_api_c Subroutine
c_dbcsr_get_data_d dbcsr_api_c Subroutine
c_dbcsr_get_data_s dbcsr_api_c Subroutine
c_dbcsr_get_data_size dbcsr_api_c Function
c_dbcsr_get_data_type dbcsr_api_c Function
c_dbcsr_get_data_z dbcsr_api_c Subroutine
c_dbcsr_get_diag_c dbcsr_api_c Subroutine
c_dbcsr_get_diag_d dbcsr_api_c Subroutine
c_dbcsr_get_diag_s dbcsr_api_c Subroutine
c_dbcsr_get_diag_z dbcsr_api_c Subroutine
c_dbcsr_get_distribution dbcsr_api_c Subroutine
c_dbcsr_get_group dbcsr_api_c Subroutine
c_dbcsr_get_info dbcsr_api_c Subroutine
c_dbcsr_get_local_cols dbcsr_api_c Subroutine
c_dbcsr_get_local_rows dbcsr_api_c Subroutine
c_dbcsr_get_matrix_type dbcsr_api_c Function
c_dbcsr_get_name dbcsr_api_c Subroutine
c_dbcsr_get_num_blocks dbcsr_api_c Function
c_dbcsr_get_occupation dbcsr_api_c Function
c_dbcsr_get_proc_col_dist dbcsr_api_c Subroutine
c_dbcsr_get_proc_row_dist dbcsr_api_c Subroutine
c_dbcsr_get_row_blk_offset dbcsr_api_c Subroutine
c_dbcsr_get_row_blk_size dbcsr_api_c Subroutine
c_dbcsr_get_stored_coordinates dbcsr_api_c Subroutine
c_dbcsr_hadamard_product dbcsr_api_c Subroutine
c_dbcsr_has_symmetry dbcsr_api_c Function
c_dbcsr_init_lib dbcsr_api_c Subroutine
c_dbcsr_init_random dbcsr_api_c Subroutine
c_dbcsr_iterator_blocks_left dbcsr_api_c Function
c_dbcsr_iterator_next_2d_block_c dbcsr_api_c Subroutine
c_dbcsr_iterator_next_2d_block_d dbcsr_api_c Subroutine
c_dbcsr_iterator_next_2d_block_s dbcsr_api_c Subroutine
c_dbcsr_iterator_next_2d_block_z dbcsr_api_c Subroutine
c_dbcsr_iterator_next_block_index dbcsr_api_c Subroutine
c_dbcsr_iterator_start dbcsr_api_c Subroutine
c_dbcsr_iterator_stop dbcsr_api_c Subroutine
c_dbcsr_maxabs dbcsr_api_c Function
c_dbcsr_mp_grid_setup dbcsr_api_c Subroutine
c_dbcsr_multiply_c dbcsr_api_c Subroutine
c_dbcsr_multiply_d dbcsr_api_c Subroutine
c_dbcsr_multiply_s dbcsr_api_c Subroutine
c_dbcsr_multiply_z dbcsr_api_c Subroutine
c_dbcsr_nblkcols_local dbcsr_api_c Function
c_dbcsr_nblkcols_total dbcsr_api_c Function
c_dbcsr_nblkrows_local dbcsr_api_c Function
c_dbcsr_nblkrows_total dbcsr_api_c Function
c_dbcsr_nfullcols_total dbcsr_api_c Function
c_dbcsr_nfullrows_total dbcsr_api_c Function
c_dbcsr_norm_scalar dbcsr_api_c Subroutine
c_dbcsr_print dbcsr_api_c Subroutine
c_dbcsr_print_block_sum dbcsr_api_c Subroutine
c_dbcsr_print_statistics dbcsr_api_c Subroutine
c_dbcsr_put_block2d_c dbcsr_api_c Subroutine
c_dbcsr_put_block2d_d dbcsr_api_c Subroutine
c_dbcsr_put_block2d_s dbcsr_api_c Subroutine
c_dbcsr_put_block2d_z dbcsr_api_c Subroutine
c_dbcsr_release dbcsr_api_c Subroutine
c_dbcsr_replicate_all dbcsr_api_c Subroutine
c_dbcsr_reserve_all_blocks dbcsr_api_c Subroutine
c_dbcsr_reserve_block2d_c dbcsr_api_c Subroutine
c_dbcsr_reserve_block2d_d dbcsr_api_c Subroutine
c_dbcsr_reserve_block2d_s dbcsr_api_c Subroutine
c_dbcsr_reserve_block2d_z dbcsr_api_c Subroutine
c_dbcsr_reserve_blocks dbcsr_api_c Subroutine
c_dbcsr_reserve_diag_blocks dbcsr_api_c Subroutine
c_dbcsr_scale_by_vector_c dbcsr_api_c Subroutine
c_dbcsr_scale_by_vector_d dbcsr_api_c Subroutine
c_dbcsr_scale_by_vector_s dbcsr_api_c Subroutine
c_dbcsr_scale_by_vector_z dbcsr_api_c Subroutine
c_dbcsr_scale_c dbcsr_api_c Subroutine
c_dbcsr_scale_d dbcsr_api_c Subroutine
c_dbcsr_scale_s dbcsr_api_c Subroutine
c_dbcsr_scale_z dbcsr_api_c Subroutine
c_dbcsr_set_c dbcsr_api_c Subroutine
c_dbcsr_set_d dbcsr_api_c Subroutine
c_dbcsr_set_diag_c dbcsr_api_c Subroutine
c_dbcsr_set_diag_d dbcsr_api_c Subroutine
c_dbcsr_set_diag_s dbcsr_api_c Subroutine
c_dbcsr_set_diag_z dbcsr_api_c Subroutine
c_dbcsr_set_s dbcsr_api_c Subroutine
c_dbcsr_set_z dbcsr_api_c Subroutine
c_dbcsr_setname dbcsr_api_c Subroutine
c_dbcsr_sum_replicated dbcsr_api_c Subroutine
c_dbcsr_t_batched_contract_finalize dbcsr_tensor_api_c Subroutine
c_dbcsr_t_batched_contract_init dbcsr_tensor_api_c Subroutine
c_dbcsr_t_blk_sizes dbcsr_tensor_api_c Subroutine
c_dbcsr_t_clear dbcsr_tensor_api_c Subroutine
c_dbcsr_t_contract_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_contract_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_contract_index_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_contract_index_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_contract_index_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_contract_index_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_contract_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_contract_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_copy dbcsr_tensor_api_c Subroutine
c_dbcsr_t_copy_matrix_to_tensor dbcsr_tensor_api_c Subroutine
c_dbcsr_t_copy_tensor_to_matrix dbcsr_tensor_api_c Subroutine
c_dbcsr_t_create_matrix dbcsr_tensor_api_c Subroutine
c_dbcsr_t_create_new dbcsr_tensor_api_c Subroutine
c_dbcsr_t_create_template dbcsr_tensor_api_c Subroutine
c_dbcsr_t_destroy dbcsr_tensor_api_c Subroutine
c_dbcsr_t_dims dbcsr_tensor_api_c Subroutine
c_dbcsr_t_distribution_destroy dbcsr_tensor_api_c Subroutine
c_dbcsr_t_distribution_new dbcsr_tensor_api_c Subroutine
c_dbcsr_t_filter_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_filter_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_filter_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_filter_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_finalize dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_2d_block_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_2d_block_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_2d_block_p_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_2d_block_p_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_2d_block_p_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_2d_block_p_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_2d_block_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_2d_block_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_3d_block_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_3d_block_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_3d_block_p_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_3d_block_p_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_3d_block_p_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_3d_block_p_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_3d_block_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_3d_block_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_4d_block_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_4d_block_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_4d_block_p_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_4d_block_p_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_4d_block_p_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_4d_block_p_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_4d_block_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_4d_block_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_data_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_data_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_data_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_data_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_info dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_mapping_info dbcsr_tensor_api_c Subroutine
c_dbcsr_t_get_num_blocks dbcsr_tensor_api_c Function
c_dbcsr_t_get_num_blocks_total dbcsr_tensor_api_c Function
c_dbcsr_t_get_nze dbcsr_tensor_api_c Function
c_dbcsr_t_get_nze_total dbcsr_tensor_api_c Function
c_dbcsr_t_get_stored_coordinates dbcsr_tensor_api_c Subroutine
c_dbcsr_t_iterator_blocks_left dbcsr_tensor_api_c Function
c_dbcsr_t_iterator_next_block dbcsr_tensor_api_c Subroutine
c_dbcsr_t_iterator_start dbcsr_tensor_api_c Subroutine
c_dbcsr_t_iterator_stop dbcsr_tensor_api_c Subroutine
c_dbcsr_t_max_nblks_local dbcsr_tensor_api_c Function
c_dbcsr_t_nblks_local dbcsr_tensor_api_c Function
c_dbcsr_t_nblks_total dbcsr_tensor_api_c Function
c_dbcsr_t_ndims dbcsr_tensor_api_c Function
c_dbcsr_t_ndims_matrix_column dbcsr_tensor_api_c Function
c_dbcsr_t_ndims_matrix_row dbcsr_tensor_api_c Function
c_dbcsr_t_pgrid_create dbcsr_tensor_api_c Subroutine
c_dbcsr_t_pgrid_create_expert dbcsr_tensor_api_c Subroutine
c_dbcsr_t_pgrid_destroy dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_2d_block_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_2d_block_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_2d_block_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_2d_block_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_3d_block_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_3d_block_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_3d_block_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_3d_block_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_4d_block_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_4d_block_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_4d_block_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_put_4d_block_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_reserve_blocks_index dbcsr_tensor_api_c Subroutine
c_dbcsr_t_reserve_blocks_template dbcsr_tensor_api_c Subroutine
c_dbcsr_t_scale_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_scale_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_scale_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_scale_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_set_c_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_set_c_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_set_r_dp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_set_r_sp dbcsr_tensor_api_c Subroutine
c_dbcsr_t_split_blocks dbcsr_tensor_api_c Subroutine
c_dbcsr_trace_c dbcsr_api_c Subroutine
c_dbcsr_trace_d dbcsr_api_c Subroutine
c_dbcsr_trace_s dbcsr_api_c Subroutine
c_dbcsr_trace_z dbcsr_api_c Subroutine
c_dbcsr_transposed dbcsr_api_c Subroutine
c_dbcsr_triu dbcsr_api_c Subroutine
c_dbcsr_valid_index dbcsr_api_c Function
c_f_string dbcsr_api_c Subroutine
c_f_string dbcsr_tensor_api_c Subroutine
c_free_string dbcsr_api_c Subroutine
c_ndims_iterator dbcsr_tensor_api_c Function
calc_norms_c dbcsr_mm_common Subroutine

Calculates norms of the entire matrix with minimal overhead.

calc_norms_d dbcsr_mm_common Subroutine

Calculates norms of the entire matrix with minimal overhead.

calc_norms_s dbcsr_mm_common Subroutine

Calculates norms of the entire matrix with minimal overhead.

calc_norms_z dbcsr_mm_common Subroutine

Calculates norms of the entire matrix with minimal overhead.

calculate_norms dbcsr_mm_common Subroutine

Calculates per-block norms. Rewritten to be very low-level.

call_rec_sort_index dbcsr_mm_cannon Subroutine

Used to thunk a call to rec_sort_index

can_quickly_finalize dbcsr_work_operations Function

Checks whether the matrix can be finalized with minimal copying.

change_capacity_callstackentry dbcsr_list_callstackentry Subroutine

Internal routine for changing the size of the internal array.

change_capacity_i4tuple_callstat dbcsr_dict Subroutine

Internal routine for changing the dictionary's capacity.

change_capacity_routinereport dbcsr_list_routinereport Subroutine

Internal routine for changing the size of the internal array.

change_capacity_routinestat dbcsr_list_routinestat Subroutine

Internal routine for changing the size of the internal array.

change_capacity_str_i4 dbcsr_dict Subroutine

Internal routine for changing the dictionary's capacity.

change_capacity_timerenv dbcsr_list_timerenv Subroutine

Internal routine for changing the size of the internal array.

change_split dbcsr_tas_mm Subroutine

Change split factor without redistribution

check_equal dbcsr_array_list_methods Function

check whether two array lists are equal

check_openmpi_rma dbcsr_mm Subroutine
checker_square_proc dbcsr_dist_operations Function

Determines the home process for a given logical matrix element.

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checker_tr dbcsr_dist_operations Function

Determines whether a transpose must be applied

close_file dbcsr_files Subroutine

Close an open file given by its logical unit number. Optionally, keep the file and unit preconnected.

collect_reports_from_ranks dbcsr_timings_report Subroutine

Collects the timing or energy reports from all MPI ranks.

combine_pgrid_index dbcsr_tensor_index Function

transform nd index to flat index

combine_tensor_index dbcsr_tensor_index Function

transform nd index to flat index

compat_map dbcsr_tensor Function

Check if 2d index is compatible with tensor index

compress dbcsr_string_utilities Subroutine

Eliminate multiple space characters in a string. If full is .TRUE., then all spaces are eliminated.

compx_to_dbcsr_scalar dbcsr_test_methods Function
conf_par_env_value dbcsr_config Function
convert_brd_to_csr dbcsr_csr_conversions Subroutine

Convert a block-row distributed DBCSR matrix to a CSR matrix The DBCSR matrix must have a block structure consistent with the CSR matrix.

convert_csr_to_brd dbcsr_csr_conversions Subroutine

Copies data from a CSR matrix to a block-row distributed DBCSR matrix. The DBCSR matrix must have a block structure consistent with the CSR matrix.

convert_csr_to_dbcsr dbcsr_csr_conversions Subroutine

convert a CSR matrix to a DBCSR matrix

convert_dbcsr_to_csr dbcsr_csr_conversions Subroutine

Convert a DBCSR matrix to a CSR matrix.

convert_offsets_to_sizes dbcsr_dist_util Subroutine

Converts offsets to sizes If the offsets of ends are not given, then the array of sizes is assumed to be one greater than the desired sizes.

convert_sizes_to_offsets dbcsr_dist_util Subroutine

Converts sizes to offsets

convert_to_new_pgrid dbcsr_tas_mm Subroutine

Convert a DBCSR matrix to a new process grid

count_bins dbcsr_dist_util Subroutine
count_mpi_statistics dbcsr_mm_common Subroutine
create_array_list dbcsr_array_list_methods Subroutine

collects any number of arrays of different sizes into a single array (list%col_data), storing the indices that start a new array (list%ptr).

create_batches dbcsr_tensor_example_1 Subroutine
create_block dbcsr_tensor_block Interface
create_block_data_c_dp dbcsr_tensor_block Subroutine

Create block from array, array can be n-dimensional.

create_block_data_c_sp dbcsr_tensor_block Subroutine

Create block from array, array can be n-dimensional.

create_block_data_r_dp dbcsr_tensor_block Subroutine

Create block from array, array can be n-dimensional.

create_block_data_r_sp dbcsr_tensor_block Subroutine

Create block from array, array can be n-dimensional.

create_block_nodata dbcsr_tensor_block Subroutine

Create block without data

create_block_nodata_c_dp dbcsr_tensor_block Subroutine

Create and allocate block, but no data.

create_block_nodata_c_sp dbcsr_tensor_block Subroutine

Create and allocate block, but no data.

create_block_nodata_r_dp dbcsr_tensor_block Subroutine

Create and allocate block, but no data.

create_block_nodata_r_sp dbcsr_tensor_block Subroutine

Create and allocate block, but no data.

create_block_norms_matrix dbcsr_tas_mm Subroutine

Create a matrix with block sizes one that contains the block norms of matrix_in

create_nd_to_2d_mapping dbcsr_tensor_index Subroutine

Create all data needed to quickly map between nd index and 2d index.

csr_assert_consistency_with_dbcsr dbcsr_csr_conversions Subroutine

Helper function to assert that a given CSR matrix and a given DBCSR matrix are consistent before doing the conversion

csr_conversion_test dbcsr_test_csr_conversions Subroutine

Test the conversion by converting to CSR format and converting back, where the CSR sparsity is defined by some filtering threshold eps. The maximum norm of the differences between the original and the back-converted matrix is calculated.

csr_create dbcsr_csr_conversions Interface
csr_create_from_brd dbcsr_csr_conversions Subroutine

Allocate the internals of a CSR matrix using data from a block-row distributed DBCSR matrix

csr_create_from_dbcsr dbcsr_csr_conversions Subroutine

create CSR matrix including dbcsr_mapping from arbitrary DBCSR matrix in order to prepare conversion.

csr_create_new dbcsr_api Subroutine
csr_create_new dbcsr_csr_conversions Subroutine

Create a new CSR matrix and allocate all internal data (excluding dbcsr_mapping)

csr_create_nzerow dbcsr_csr_conversions Subroutine

create a vector containing the number of non-zero elements in each row of a CSR matrix

csr_create_template dbcsr_csr_conversions Subroutine

Create a new CSR matrix and allocate all internal data using an existing CSR matrix. Copies the indices but no actual matrix data.

csr_destroy dbcsr_csr_conversions Subroutine

destroy a CSR matrix

csr_get_dbcsr_mapping dbcsr_csr_conversions Subroutine

create the mapping information between a block-row distributed DBCSR matrix and the corresponding CSR matrix

csr_print_sparsity dbcsr_csr_conversions Subroutine

Print CSR sparsity

csr_write dbcsr_csr_conversions Subroutine

Write a CSR matrix to file

cuda_nvtx_init dbcsr_cuda_profiling Subroutine
cuda_nvtx_range_pop dbcsr_cuda_profiling Subroutine
cuda_nvtx_range_push dbcsr_cuda_profiling Subroutine
cyclic_dist dbcsr_tas_global Function
cyclic_rowcols dbcsr_tas_global Function
dbcsr_1d_d_sort dbcsr_array_sort Subroutine

Sorts an array inplace using a combination of merge- and bubble-sort. It also returns the indices, which the elements had before the sort.

dbcsr_1d_d_sort_low dbcsr_array_sort Subroutine

The actual sort routine. Only dbcsr_1d_d_sort and itself should call this.

dbcsr_1d_i4_sort dbcsr_array_sort Subroutine

Sorts an array inplace using a combination of merge- and bubble-sort. It also returns the indices, which the elements had before the sort.

dbcsr_1d_i4_sort_low dbcsr_array_sort Subroutine

The actual sort routine. Only dbcsr_1d_i4_sort and itself should call this.

dbcsr_1d_i8_sort dbcsr_array_sort Subroutine

Sorts an array inplace using a combination of merge- and bubble-sort. It also returns the indices, which the elements had before the sort.

dbcsr_1d_i8_sort_low dbcsr_array_sort Subroutine

The actual sort routine. Only dbcsr_1d_i8_sort and itself should call this.

dbcsr_1d_s_sort dbcsr_array_sort Subroutine

Sorts an array inplace using a combination of merge- and bubble-sort. It also returns the indices, which the elements had before the sort.

dbcsr_1d_s_sort_low dbcsr_array_sort Subroutine

The actual sort routine. Only dbcsr_1d_s_sort and itself should call this.

dbcsr__a dbcsr_base_hooks Subroutine

DBCSR_ASSERT handler

dbcsr__b dbcsr_base_hooks Subroutine

DBCSR_ABORT handler

dbcsr__l dbcsr_base_hooks Function

Helper routine to assemble LOCATION

dbcsr__w dbcsr_base_hooks Subroutine

DBCSR_WARN handler

dbcsr_abort dbcsr_base_hooks Subroutine

Terminate the program

dbcsr_abort_handler dbcsr_error_handling Subroutine

Abort program with error message

dbcsr_abort_interface dbcsr_base_hooks Interface
dbcsr_acc_clear_errors dbcsr_acc_device Subroutine

Clear GPU errors

dbcsr_acc_do_mm_stack dbcsr_acc_operations Subroutine

Launch an accelerated kernel for processing a stack.

dbcsr_acc_get_ndevices dbcsr_acc_device Function

Get number of accelerator devices

dbcsr_acc_set_active_device dbcsr_acc_device Subroutine

Set active accelerator device

dbcsr_acc_transpose dbcsr_acc_operations Subroutine

Launch an accelerated transpose kernel

dbcsr_add dbcsr_api Interface
dbcsr_add dbcsr_operations Interface
dbcsr_add_anytype dbcsr_operations Subroutine

add and scale matrices A = alphaA + betaB or

dbcsr_add_anytype_c dbcsr_operations Subroutine

Low level function to sum two matrices (matrix_a = matrix_a + beta*matrix_b

dbcsr_add_anytype_d dbcsr_operations Subroutine

Low level function to sum two matrices (matrix_a = matrix_a + beta*matrix_b

dbcsr_add_anytype_s dbcsr_operations Subroutine

Low level function to sum two matrices (matrix_a = matrix_a + beta*matrix_b

dbcsr_add_anytype_z dbcsr_operations Subroutine

Low level function to sum two matrices (matrix_a = matrix_a + beta*matrix_b

dbcsr_add_block_node dbcsr_api Subroutine

Emulation of sparse_matrix_types/add_block_node mapped to add_real_matrix_block.... should not be used any longer It adds a block to the dbcsr matrix and returns a rank-2 pointer to the block. Currently it only and always uses the mutable data.

dbcsr_add_block_node dbcsr_operations Subroutine

Emulation of sparse_matrix_types/add_block_node mapped to add_real_matrix_block.... should not be used any longer It adds a block to the dbcsr matrix and returns a rank-2 pointer to the block. Currently it only and always uses the mutable data.

dbcsr_add_c dbcsr_api Subroutine
dbcsr_add_c dbcsr_operations Subroutine
dbcsr_add_d dbcsr_api Subroutine
dbcsr_add_d dbcsr_operations Subroutine

Interface for dbcsr_add

dbcsr_add_default_logger dbcsr_log_handling Subroutine

adds a default logger. MUST be called before logging occurs

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dbcsr_add_on_diag dbcsr_api Interface
dbcsr_add_on_diag dbcsr_operations Interface
dbcsr_add_on_diag_c dbcsr_api Subroutine
dbcsr_add_on_diag_c dbcsr_operations Subroutine

add a constant to the diagonal of a matrix

dbcsr_add_on_diag_d dbcsr_api Subroutine
dbcsr_add_on_diag_d dbcsr_operations Subroutine

add a constant to the diagonal of a matrix

dbcsr_add_on_diag_ds dbcsr_operations Subroutine
dbcsr_add_on_diag_s dbcsr_api Subroutine
dbcsr_add_on_diag_s dbcsr_operations Subroutine

add a constant to the diagonal of a matrix

dbcsr_add_on_diag_z dbcsr_api Subroutine
dbcsr_add_on_diag_z dbcsr_operations Subroutine

add a constant to the diagonal of a matrix

dbcsr_add_s dbcsr_api Subroutine
dbcsr_add_s dbcsr_operations Subroutine
dbcsr_add_wm_from_matrix dbcsr_work_operations Subroutine

Creates a work matrix from the data present in a finalized matrix.

dbcsr_add_work_coordinate dbcsr_api Subroutine
dbcsr_add_z dbcsr_api Subroutine
dbcsr_add_z dbcsr_operations Subroutine
dbcsr_addto_index_array dbcsr_index_operations Subroutine

Adds data to the index. Increases the index size when necessary.

dbcsr_allgatherv dbcsr_mp_operations Subroutine

Allgather of encapsulated data

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dbcsr_binary_read dbcsr_api Subroutine
dbcsr_binary_read dbcsr_io Subroutine

Reads a DBCSR matrix from a file

dbcsr_binary_write dbcsr_api Subroutine
dbcsr_binary_write dbcsr_io Subroutine

Writes a DBCSR matrix in a file file's header consists of 3 sub-headers: sub-header1 contains: 1 string: (of length version_len) the current version of this routine, 1 string: (of length default_string_length) matrix_name, 1 character: matrix_type, 4 integers: numnodes, data_type, nblkrows_total, nblkcols_total, 2 vectors: row_blk_size (length = nblkrows_total), col_blk_size (length = nblkcols_total), sub-header2 contains: 2 integers: nblks, data_area_size, sub-header3 contains: 3 vectors: row_p (length = nblkrows_total+1), col_i (length = nblks), blk_p (length = nblks); and the file's body contains the block data

dbcsr_blk_col_offset dbcsr_methods Function
dbcsr_blk_column_size dbcsr_methods Function

Returns the blocked column size of a column This routine is optimized for speed and no checks are performed.

dbcsr_blk_row_offset dbcsr_methods Function
dbcsr_blk_row_size dbcsr_methods Function

Returns the blocked row size of a row This routine is optimized for speed and no checks are performed.

dbcsr_block_conjg dbcsr_block_operations Subroutine

Conjugate a data area. There are no checks done for correctness!

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dbcsr_block_copy dbcsr_block_operations Interface
dbcsr_block_copy_aa dbcsr_block_operations Subroutine

Copy data from one data area to another. There are no checks done for correctness!

dbcsr_block_in_limits dbcsr_operations Function

check if a block is not in the limits

dbcsr_block_partial_copy dbcsr_block_operations Subroutine

Copies a block subset

dbcsr_block_real_neg dbcsr_block_operations Subroutine

Negates the real part of a block There are no checks done for correctness!

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dbcsr_block_scale dbcsr_block_operations Subroutine

Scale a data area. There are no checks done for correctness!

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dbcsr_block_transpose dbcsr_block_operations Interface
dbcsr_block_transpose_a dbcsr_block_operations Subroutine

In-place transpose of encapsulated data There are no checks done for correctness!

dbcsr_block_transpose_aa dbcsr_block_operations Subroutine

Copy data from one data area to another. There are no checks done for correctness!

dbcsr_build_row_index dbcsr_index_operations Interface
dbcsr_build_row_index_copy dbcsr_index_operations Subroutine

Builds row index array from a columns-per-row count.

dbcsr_build_row_index_inplace dbcsr_index_operations Subroutine

Builds row index array from a columns-per-row count, in-place.

dbcsr_calc_block_sizes dbcsr_dist_util Subroutine

Calculates explicit sizes for all data blocks.

dbcsr_checksum dbcsr_api Function
dbcsr_checksum dbcsr_dist_util Function

Calculates the checksum of a DBCSR matrix.

dbcsr_clear dbcsr_api Subroutine

Clear a matrix

dbcsr_clear dbcsr_operations Subroutine

Clear a matrix (remove all blocks)

dbcsr_clear_mempools dbcsr_lib Subroutine

Deallocate memory contained in mempools

dbcsr_clearfrom_index_array dbcsr_index_operations Subroutine

Removes data from the index.

dbcsr_col_block_offsets dbcsr_methods Function
dbcsr_col_block_sizes dbcsr_methods Function
dbcsr_complete_redistribute dbcsr_api Subroutine
dbcsr_complete_redistribute dbcsr_transformations Subroutine

Fully redistributes a DBCSR matrix. The new distribution may be arbitrary as long as the total number full rows and columns matches that of the existing matrix.

dbcsr_conform_scalar dbcsr_operations Interface
dbcsr_conjg dbcsr_operations Subroutine

Conjugate a DBCSR matrix

dbcsr_convert_csr_to_dbcsr dbcsr_api Subroutine
dbcsr_convert_dbcsr_to_csr dbcsr_api Subroutine
dbcsr_copy dbcsr_api Subroutine
dbcsr_copy dbcsr_operations Subroutine

copy a matrix

dbcsr_copy_into_existing dbcsr_api Subroutine
dbcsr_copy_into_existing dbcsr_operations Subroutine

copy a matrix, retaining current sparsity

dbcsr_copy_into_existing_sym dbcsr_operations Subroutine

copy a matrix, retaining current sparsity

dbcsr_copy_sort_data dbcsr_data_operations Subroutine

Sorts the data in a matrix so that the data blocks follow sequentially and does various transposing options. As opposed to dbcsr_sort_data, this routine calculates block sizes

dbcsr_copy_submatrix dbcsr_operations Subroutine

Copy a submatrix.

dbcsr_count_row_index dbcsr_index_operations Interface
dbcsr_count_row_index_copy dbcsr_index_operations Subroutine

Counts columns-per-row count from row index array.

dbcsr_count_row_index_inplace dbcsr_index_operations Subroutine

Counts columns-per-row count from row index array, in-place.

dbcsr_create dbcsr_work_operations Interface
dbcsr_create dbcsr_api Interface
dbcsr_create_brd dbcsr_csr_conversions Subroutine

Converts a DBCSR matrix to a block row distributed matrix.

dbcsr_create_image_dist dbcsr_mm_dist_operations Subroutine

Creates an image distribution given the other compatibility images

dbcsr_create_new dbcsr_work_operations Subroutine

Creates a matrix, allocating the essentials.

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dbcsr_create_new dbcsr_api Subroutine
dbcsr_create_template dbcsr_work_operations Subroutine
dbcsr_create_template dbcsr_api Subroutine
dbcsr_crop_matrix dbcsr_operations Subroutine

Crop and copies a matrix.

dbcsr_csr_create dbcsr_api Interface
dbcsr_csr_create_from_dbcsr dbcsr_api Subroutine
dbcsr_data_area dbcsr_methods Function

Returns the data area

dbcsr_data_clear dbcsr_block_operations Interface
dbcsr_data_clear0 dbcsr_block_operations Subroutine

Clears a data area

dbcsr_data_clear_nt dbcsr_block_operations Subroutine

Clears a data area, possibly transposed.

dbcsr_data_clear_pointer dbcsr_data_methods_low Subroutine

Clears pointers from the data area.

dbcsr_data_convert dbcsr_data_operations Subroutine

Copies a data area, converting data type

dbcsr_data_copy dbcsr_block_operations Interface
dbcsr_data_copy_aa dbcsr_block_operations Subroutine

Copy data from one data area to another. There are no checks done for correctness!

dbcsr_data_copy_aa2 dbcsr_block_operations Subroutine

Copy data from one data area to another, the most basic form. There are no checks done for correctness!

dbcsr_data_copyall dbcsr_data_operations Subroutine

Copies a data area, deep by default.

dbcsr_data_dev2host dbcsr_data_methods Subroutine

Transfers data from device- to host-buffer, asynchronously.

dbcsr_data_ensure_size dbcsr_data_methods Subroutine

Ensures a minimum size of a previously-setup data area. The data area must have been previously setup with dbcsr_data_new.

dbcsr_data_exists dbcsr_data_methods_low Function

Checks whether a data pointer exists

dbcsr_data_get_memory_type dbcsr_data_methods_low Function
dbcsr_data_get_size dbcsr_data_methods_low Function

Returns the allocated data size

dbcsr_data_get_size_referenced dbcsr_data_methods_low Function

Get actual data storage used for matrix

dbcsr_data_get_sizes dbcsr_data_methods_low Interface
dbcsr_data_get_sizes_1 dbcsr_data_methods_low Subroutine

Returns the allocated data size

dbcsr_data_get_sizes_2 dbcsr_data_methods_low Subroutine

Returns the allocated data size

dbcsr_data_get_sizes_any dbcsr_data_methods_low Subroutine

Returns the allocated data size

dbcsr_data_get_type dbcsr_data_methods_low Function

Returns data type of a data area

dbcsr_data_hold dbcsr_data_methods_low Subroutine

Registers another use of the data area

dbcsr_data_host2dev dbcsr_data_methods Subroutine

Transfers data from host- to device-buffer, asynchronously.

dbcsr_data_init dbcsr_data_methods_low Subroutine

Initializes a data area

dbcsr_data_new dbcsr_data_methods Subroutine

Initializes a data area and all the actual data pointers

dbcsr_data_release dbcsr_data_methods Subroutine

Removes a reference and/or clears the data area.

dbcsr_data_set dbcsr_block_operations Interface
dbcsr_data_set_ac dbcsr_block_operations Subroutine

Copy data from a double real array to a data area There are no checks done for correctness!

dbcsr_data_set_ad dbcsr_block_operations Subroutine

Copy data from a double real array to a data area There are no checks done for correctness!

dbcsr_data_set_as dbcsr_block_operations Subroutine

Copy data from a double real array to a data area There are no checks done for correctness!

dbcsr_data_set_az dbcsr_block_operations Subroutine

Copy data from a double real array to a data area There are no checks done for correctness!

dbcsr_data_set_pointer dbcsr_data_methods_low Interface
dbcsr_data_set_size_referenced dbcsr_data_methods_low Subroutine

Sets the referenced size of the data area

dbcsr_data_valid dbcsr_data_methods_low Function

Checks whether a data area is valid

dbcsr_data_verify_bounds dbcsr_data_methods_low Subroutine

Verifies bounds of a data area

dbcsr_data_zero dbcsr_data_methods_low Subroutine

Clears a part of the data area

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dbcsr_datablock_redistribute dbcsr_transformations Subroutine

Redistributes data blocks of a DBCSR matrix read from a file. This routine should be used with dbcsr_binary_read in the module dbcsr_io.F

dbcsr_datatype_sizeof dbcsr_data_types Function

Helper-routine, returns size of given datatype in terms of bytes.

dbcsr_deallocate_matrix dbcsr_api Subroutine

Deallocates a DBCSR matrix for compatibility with CP2K

dbcsr_default_logger_stack_size dbcsr_log_handling Function
dbcsr_destroy dbcsr_methods Subroutine

Deallocates and destroys a matrix.

dbcsr_destroy_1d_array dbcsr_methods Subroutine

Releases all matrices in a 1-d array.

dbcsr_destroy_2d_array dbcsr_methods Subroutine

Releases all matrices in 2-d array.

dbcsr_destroy_array dbcsr_methods Interface
dbcsr_destroy_image_dist dbcsr_methods Subroutine

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

dbcsr_desymmetrize dbcsr_api Subroutine
dbcsr_desymmetrize_deep dbcsr_transformations Subroutine

Duplicates data in symmetric matrix to make it normal (w.r.t. data structure. Can handle symmetric/antisymmetric/hermitian/skewhermitian matrices

dbcsr_dist_bin dbcsr_dist_operations Subroutine

Creates a sane 1-D distribution

dbcsr_dist_release_locals dbcsr_methods Subroutine
dbcsr_distribute dbcsr_api Subroutine
dbcsr_distribute dbcsr_transformations Subroutine

Distributes a matrix that is currently replicated.

dbcsr_distribution dbcsr_methods Function
dbcsr_distribution_col_dist dbcsr_dist_methods Function
dbcsr_distribution_get dbcsr_dist_methods Subroutine

Get distribution parameters

dbcsr_distribution_get dbcsr_api Subroutine
dbcsr_distribution_get_num_images_1d dbcsr_dist_methods Function

Count number of images in the product matrix

dbcsr_distribution_has_threads dbcsr_dist_methods Function
dbcsr_distribution_hold dbcsr_dist_methods Subroutine

Marks another use of the distribution

dbcsr_distribution_hold dbcsr_api Subroutine
dbcsr_distribution_local_cols dbcsr_dist_methods Function
dbcsr_distribution_local_cols_obj dbcsr_dist_methods Function
dbcsr_distribution_local_rows dbcsr_dist_methods Function
dbcsr_distribution_local_rows_obj dbcsr_dist_methods Function
dbcsr_distribution_make_threads dbcsr_dist_methods Subroutine

Creates a distribution for threads

dbcsr_distribution_max_col_dist dbcsr_dist_methods Function
dbcsr_distribution_max_row_dist dbcsr_dist_methods Function
dbcsr_distribution_mp dbcsr_dist_methods Function
dbcsr_distribution_ncols dbcsr_dist_methods Function
dbcsr_distribution_new dbcsr_dist_methods Interface
dbcsr_distribution_new dbcsr_api Subroutine

Creates new distribution from blockr distributions

dbcsr_distribution_new_low dbcsr_dist_methods Subroutine

Creates new distribution

dbcsr_distribution_new_obj dbcsr_dist_methods Subroutine

Creates new distribution Workaround for CCE compilation

dbcsr_distribution_new_template dbcsr_dist_methods Subroutine

Creates new distribution from a template distribution

dbcsr_distribution_nlocal_cols dbcsr_dist_methods Function
dbcsr_distribution_nlocal_rows dbcsr_dist_methods Function
dbcsr_distribution_no_threads dbcsr_dist_methods Subroutine

Removes the thread distribution from a distribution

dbcsr_distribution_nrows dbcsr_dist_methods Function
dbcsr_distribution_num_threads dbcsr_dist_methods Function
dbcsr_distribution_processor dbcsr_dist_methods Function
dbcsr_distribution_release dbcsr_api Subroutine
dbcsr_distribution_release dbcsr_methods Subroutine

Releases and potentially destroys a distribution

dbcsr_distribution_row_dist dbcsr_dist_methods Function
dbcsr_distribution_thread_dist dbcsr_dist_methods Function
dbcsr_dot dbcsr_api Interface
dbcsr_dot dbcsr_operations Interface
dbcsr_dot_c dbcsr_api Subroutine
dbcsr_dot_c dbcsr_operations Subroutine

Dot product of DBCSR matrices

dbcsr_dot_d dbcsr_api Subroutine
dbcsr_dot_d dbcsr_operations Subroutine

Dot product of DBCSR matrices

dbcsr_dot_s dbcsr_api Subroutine
dbcsr_dot_s dbcsr_operations Subroutine

Dot product of DBCSR matrices

dbcsr_dot_sd dbcsr_operations Subroutine

Dot product of DBCSR matrices \result the dot product of the matrices

dbcsr_dot_z dbcsr_api Subroutine
dbcsr_dot_z dbcsr_operations Subroutine

Dot product of DBCSR matrices

dbcsr_error_handling_setup dbcsr_error_handling Subroutine

Registers handlers with base_hooks.F

dbcsr_expand_row_index dbcsr_index_operations Subroutine

Expands a row_p index

dbcsr_expand_row_index_2d dbcsr_index_operations Subroutine

Expands a row_p index

dbcsr_fill_wm_from_matrix dbcsr_work_operations Subroutine

Fills index and data of the work matrix from the previously-finalized one.

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dbcsr_filter dbcsr_api Subroutine
dbcsr_filter dbcsr_operations Interface
dbcsr_filter_anytype dbcsr_operations Subroutine

filter a dbcsr matrix

dbcsr_filter_c dbcsr_operations Subroutine
dbcsr_filter_d dbcsr_operations Subroutine
dbcsr_filter_s dbcsr_operations Subroutine
dbcsr_filter_z dbcsr_operations Subroutine
dbcsr_finalize dbcsr_work_operations Subroutine

Creates the final dbcsr_type matrix from the working matrix. Work matrices (array or tree-based) are merged into the base DBCSR matrix. If a matrix is marked as having a valid index, then nothing is done. Deleted blocks are pruned from the index.

dbcsr_finalize dbcsr_api Subroutine
dbcsr_finalize_lib dbcsr_lib Subroutine

Finalize the DBCSR library Cleans up after the DBCSR library. Used to deallocate persistent objects.

dbcsr_find_column dbcsr_dist_operations Subroutine

Finds the block that has the given column. If the block having the queried column is found, the blk parameter is set to this block number and the found parameter is true. Otherwise found is false and the block number is invalid.

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dbcsr_frobenius_norm dbcsr_api Function
dbcsr_frobenius_norm dbcsr_operations Function

compute a norm of a dbcsr matrix

dbcsr_function_of_elements dbcsr_api Subroutine
dbcsr_function_of_elements dbcsr_operations Subroutine

Computes various functions (defined by func) of matrix elements

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dbcsr_gatherv_any dbcsr_mp_operations Subroutine

Gather function of encapsulated data.

dbcsr_gershgorin_norm dbcsr_api Function
dbcsr_gershgorin_norm dbcsr_operations Function

compute a norm of a dbcsr matrix

dbcsr_get_2d_block_notrans_p_c dbcsr_api Subroutine
dbcsr_get_2d_block_notrans_p_d dbcsr_api Subroutine
dbcsr_get_2d_block_notrans_p_s dbcsr_api Subroutine
dbcsr_get_2d_block_notrans_p_z dbcsr_api Subroutine
dbcsr_get_2d_block_p_c dbcsr_api Subroutine
dbcsr_get_2d_block_p_c dbcsr_block_access Subroutine

Gets a 2-d block from a dbcsr matrix

dbcsr_get_2d_block_p_d dbcsr_api Subroutine
dbcsr_get_2d_block_p_d dbcsr_block_access Subroutine

Gets a 2-d block from a dbcsr matrix

dbcsr_get_2d_block_p_s dbcsr_api Subroutine
dbcsr_get_2d_block_p_s dbcsr_block_access Subroutine

Gets a 2-d block from a dbcsr matrix

dbcsr_get_2d_block_p_z dbcsr_api Subroutine
dbcsr_get_2d_block_p_z dbcsr_block_access Subroutine

Gets a 2-d block from a dbcsr matrix

dbcsr_get_block_diag dbcsr_api Subroutine
dbcsr_get_block_diag dbcsr_operations Subroutine

get the diagonal of a dbcsr matrix

dbcsr_get_block_index dbcsr_dist_operations Subroutine

Looks up a block's index given logical coordinates.

dbcsr_get_block_notrans_p_c dbcsr_api Subroutine
dbcsr_get_block_notrans_p_d dbcsr_api Subroutine
dbcsr_get_block_notrans_p_s dbcsr_api Subroutine
dbcsr_get_block_notrans_p_z dbcsr_api Subroutine
dbcsr_get_block_p dbcsr_api Interface
dbcsr_get_block_p dbcsr_block_access Interface
dbcsr_get_block_p_area dbcsr_block_access Subroutine

Gets a block from a dbcsr matrix as a data area

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dbcsr_get_block_p_c dbcsr_api Subroutine
dbcsr_get_block_p_c dbcsr_block_access Subroutine

Gets a 1-d block from a dbcsr matrix

dbcsr_get_block_p_d dbcsr_api Subroutine
dbcsr_get_block_p_d dbcsr_block_access Subroutine

Gets a 1-d block from a dbcsr matrix

dbcsr_get_block_p_s dbcsr_api Subroutine
dbcsr_get_block_p_s dbcsr_block_access Subroutine

Gets a 1-d block from a dbcsr matrix

dbcsr_get_block_p_z dbcsr_api Subroutine
dbcsr_get_block_p_z dbcsr_block_access Subroutine

Gets a 1-d block from a dbcsr matrix

dbcsr_get_data dbcsr_data_methods_low Interface
dbcsr_get_data_c dbcsr_api Function
dbcsr_get_data_c_c dbcsr_data_methods_low Function

Returns the single/double precision real/complex data

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dbcsr_get_data_c_d dbcsr_data_methods_low Function

Returns the single/double precision real/complex data

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dbcsr_get_data_c_s dbcsr_data_methods_low Function

Returns the single/double precision real/complex data

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dbcsr_get_data_c_z dbcsr_data_methods_low Function

Returns the single/double precision real/complex data

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dbcsr_get_data_cptr dbcsr_data_methods_low Interface
dbcsr_get_data_d dbcsr_api Function
dbcsr_get_data_memory_type dbcsr_methods Function

Returns the type of memory used for data in the matrix

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dbcsr_get_data_p dbcsr_data_methods_low Interface
dbcsr_get_data_p dbcsr_api Interface
dbcsr_get_data_p_2d_c dbcsr_data_methods_low Function

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_c

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dbcsr_get_data_p_2d_d dbcsr_data_methods_low Function

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_d

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dbcsr_get_data_p_2d_s dbcsr_data_methods_low Function

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_s

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dbcsr_get_data_p_2d_z dbcsr_data_methods_low Function

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_z

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dbcsr_get_data_p_c dbcsr_data_methods_low Function

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_c

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dbcsr_get_data_p_d dbcsr_data_methods_low Function

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_d

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dbcsr_get_data_p_s dbcsr_data_methods_low Function

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_s

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dbcsr_get_data_p_z dbcsr_data_methods_low Function

Returns the single/double precision real/complex data \brief dbcsr_get_data_c_z

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dbcsr_get_data_s dbcsr_api Function
dbcsr_get_data_size dbcsr_api Function
dbcsr_get_data_size dbcsr_methods Function

Returns the allocated data size of a DBCSR matrix

dbcsr_get_data_size_used dbcsr_methods Function

Count actual data storage used for matrix data.

dbcsr_get_data_type dbcsr_api Function
dbcsr_get_data_type dbcsr_methods Function

Returns the data type stored in the matrix

dbcsr_get_data_z dbcsr_api Function
dbcsr_get_default_config dbcsr_config Subroutine
dbcsr_get_default_logger dbcsr_log_handling Function

returns the default logger

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dbcsr_get_diag dbcsr_api Interface
dbcsr_get_diag dbcsr_operations Interface
dbcsr_get_diag_c dbcsr_api Subroutine
dbcsr_get_diag_c dbcsr_operations Subroutine
dbcsr_get_diag_d dbcsr_api Subroutine
dbcsr_get_diag_d dbcsr_operations Subroutine
dbcsr_get_diag_s dbcsr_api Subroutine
dbcsr_get_diag_s dbcsr_operations Subroutine
dbcsr_get_diag_z dbcsr_api Subroutine
dbcsr_get_diag_z dbcsr_operations Subroutine
dbcsr_get_global_col_map dbcsr_mm_dist_operations Subroutine

Determines mapping from global to local columns

dbcsr_get_global_row_map dbcsr_mm_dist_operations Subroutine

Determines mapping from global to local rows

dbcsr_get_global_vcol_map dbcsr_mm_dist_operations Subroutine

Determines mapping from global to virtual local columns

dbcsr_get_global_vrow_map dbcsr_mm_dist_operations Subroutine

Determines mapping from global to virtual local rows

dbcsr_get_index_memory_type dbcsr_methods Function

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

dbcsr_get_info dbcsr_api Subroutine
dbcsr_get_info dbcsr_operations Subroutine

Gets information about a matrix

dbcsr_get_local_cols dbcsr_dist_operations Subroutine

Determines mapping from local to global columns

dbcsr_get_local_rows dbcsr_dist_operations Subroutine

Determines mapping from local to global rows

dbcsr_get_local_vcols dbcsr_mm_dist_operations Subroutine

Determines mapping from local to global virtual process columns

dbcsr_get_local_vrows dbcsr_mm_dist_operations Subroutine

Determines mapping from local to global virtual process rows

dbcsr_get_matrix_type dbcsr_api Function
dbcsr_get_matrix_type dbcsr_methods Function

Returns the matrix type

dbcsr_get_num_blocks dbcsr_api Function
dbcsr_get_num_blocks dbcsr_methods Function

Returns the number of blocks in the matrix

dbcsr_get_nze dbcsr_methods Function

Returns the number of non-zero elements in the matrix

dbcsr_get_occupation dbcsr_api Function
dbcsr_get_occupation dbcsr_operations Function

Returns the occupation of the matrix

dbcsr_get_replication_type dbcsr_methods Function

Returns the data type stored in the matrix

dbcsr_get_stored_block_info dbcsr_dist_operations Subroutine

Returns the index to a queried block, given a real (stored) row and column

dbcsr_get_stored_coordinates dbcsr_api Subroutine
dbcsr_get_stored_coordinates dbcsr_dist_operations Subroutine

Sets the correct source matrix, row, column and possible data transposition for a given matrix and matrix logical row and column.

dbcsr_get_wms_data_c dbcsr_api Function
dbcsr_get_wms_data_d dbcsr_api Function
dbcsr_get_wms_data_p dbcsr_api Interface
dbcsr_get_wms_data_s dbcsr_api Function
dbcsr_get_wms_data_z dbcsr_api Function
dbcsr_hadamard_product dbcsr_api Subroutine
dbcsr_hadamard_product dbcsr_operations Subroutine

Hadamard product C = A . B (C needs to be different from A and B)

dbcsr_has_local_row_index dbcsr_index_operations Function
dbcsr_has_same_block_structure dbcsr_csr_conversions Function

Helper function to assert that two DBCSR matrices have the same block structure and same sparsity pattern

dbcsr_has_symmetry dbcsr_api Function
dbcsr_has_symmetry dbcsr_methods Function

Whether matrix has symmetry

dbcsr_heap_copy_node dbcsr_min_heap Subroutine

Sets node e1 to e2

dbcsr_heap_fill dbcsr_min_heap Subroutine

Fill heap with given values

dbcsr_heap_get_first dbcsr_min_heap Subroutine

Returns the first heap element without removing it.

dbcsr_heap_new dbcsr_min_heap Subroutine
dbcsr_heap_pop dbcsr_min_heap Subroutine

Returns and removes the first heap element and rebalances the heap.

dbcsr_heap_release dbcsr_min_heap Subroutine
dbcsr_heap_reset_first dbcsr_min_heap Subroutine

Changes the value of the minimum heap element and rebalances the heap.

dbcsr_heap_reset_node dbcsr_min_heap Subroutine

Changes the value of the heap element with given key and rebalances the heap.

dbcsr_heap_swap dbcsr_min_heap Subroutine
dbcsr_hybrid_alltoall dbcsr_mp_operations Interface
dbcsr_ibcast_any dbcsr_mp_operations Subroutine

Bcast function of encapsulated data.

dbcsr_image_dist_hold dbcsr_methods Subroutine

Retains a reference to an image distribution

dbcsr_image_dist_init dbcsr_methods Subroutine

Initialized an image distribution

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dbcsr_image_dist_release dbcsr_methods Subroutine

Releases a reference to and possible deallocates an image distribution

dbcsr_impose_sparsity dbcsr_test_methods Subroutine

Impose sparsity on a dense matrix based on a dbcsr

dbcsr_index_checksum dbcsr_index_operations Subroutine

Calculates the checksum of an index.

dbcsr_index_compact dbcsr_index_operations Subroutine

Compacts an index.

dbcsr_index_prune_deleted dbcsr_index_operations Subroutine

Removes the deleted blocks from the index.

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dbcsr_init_lib dbcsr_lib Interface
dbcsr_init_lib_def dbcsr_lib Subroutine

Initialize the DBCSR library using internal loggers and timer callbacks We do not need this routine within the library, so we keep the communicator as a handle and convert it here to a communicator type

dbcsr_init_lib_hooks dbcsr_lib Subroutine

Initialize the DBCSR library using external loggers and timer callbacks We do not need this routine within the library, so we keep the communicator as a handle and convert it here to a communicator type

dbcsr_init_lib_low dbcsr_lib Subroutine

Initialize the DBCSR library Prepares the DBCSR library for use.

dbcsr_init_lib_pre dbcsr_lib Subroutine

Initialize the DBCSR library Prepares the DBCSR library for use.

dbcsr_init_p dbcsr_api Subroutine
dbcsr_init_random dbcsr_api Subroutine
dbcsr_init_random dbcsr_operations Subroutine

... TODO : unify with other version which is generic in the data_type

dbcsr_init_wm dbcsr_work_operations Subroutine

Initializes one work matrix

dbcsr_int_to_string dbcsr_log_handling Function

converts an int to a string (should be a variable length string, but that does not work with all the compilers)

dbcsr_irecv_any dbcsr_mp_operations Subroutine

Non-blocking recv of encapsulated data.

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dbcsr_iscatterv_any dbcsr_mp_operations Subroutine

Scatter function of encapsulated data.

dbcsr_isend_any dbcsr_mp_operations Subroutine

Non-blocking send of encapsulated data.

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dbcsr_isendrecv_any dbcsr_mp_operations Subroutine

Send/Recv function of encapsulated data.

dbcsr_iteration_info_create dbcsr_iter_types Subroutine

creates an output info object

dbcsr_iteration_info_release dbcsr_iter_types Subroutine

releases the iteration_info (see doc/ReferenceCounting.html)

dbcsr_iteration_info_retain dbcsr_iter_types Subroutine

retains the iteration_info (see doc/ReferenceCounting.html)

dbcsr_iterator_blocks_left dbcsr_iterator_operations Function

Returns whether there any blocks left in the iterator.

dbcsr_iterator_blocks_left dbcsr_api Function
dbcsr_iterator_next_1d_block_c dbcsr_api Subroutine
dbcsr_iterator_next_1d_block_d dbcsr_api Subroutine
dbcsr_iterator_next_1d_block_notrans_c dbcsr_api Subroutine
dbcsr_iterator_next_1d_block_notrans_d dbcsr_api Subroutine
dbcsr_iterator_next_1d_block_notrans_s dbcsr_api Subroutine
dbcsr_iterator_next_1d_block_notrans_z dbcsr_api Subroutine
dbcsr_iterator_next_1d_block_s dbcsr_api Subroutine
dbcsr_iterator_next_1d_block_z dbcsr_api Subroutine
dbcsr_iterator_next_2d_block_c dbcsr_api Subroutine
dbcsr_iterator_next_2d_block_d dbcsr_api Subroutine
dbcsr_iterator_next_2d_block_notrans_c dbcsr_api Subroutine
dbcsr_iterator_next_2d_block_notrans_d dbcsr_api Subroutine
dbcsr_iterator_next_2d_block_notrans_s dbcsr_api Subroutine
dbcsr_iterator_next_2d_block_notrans_z dbcsr_api Subroutine
dbcsr_iterator_next_2d_block_s dbcsr_api Subroutine
dbcsr_iterator_next_2d_block_z dbcsr_api Subroutine
dbcsr_iterator_next_block dbcsr_iterator_operations Interface
dbcsr_iterator_next_block dbcsr_api Interface
dbcsr_iterator_next_block_index dbcsr_api Subroutine

Gets the index information of the next block, no data.

dbcsr_iterator_seek dbcsr_iterator_operations Subroutine

Places the iterator to the desired row.

dbcsr_iterator_start dbcsr_iterator_operations Subroutine

Sets up an iterator

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dbcsr_iterator_start dbcsr_api Subroutine
dbcsr_iterator_stop dbcsr_iterator_operations Subroutine

Stops up an iterator

dbcsr_iterator_stop dbcsr_api Subroutine
dbcsr_lapack_larnv dbcsr_blas_operations Subroutine

fills an array with random numbers

dbcsr_logger_create dbcsr_log_handling Subroutine

initializes a logger

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dbcsr_logger_generate_filename dbcsr_log_handling Subroutine

generates a unique filename (ie adding eventual suffixes and process ids)

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dbcsr_logger_get_default_io_unit dbcsr_log_handling Function

returns the unit nr for the ionode (-1 on all other processors) skips as well checks if the procs calling this function is not the ionode

dbcsr_logger_get_default_unit_nr dbcsr_log_handling Function

asks the default unit number of the given logger. try to use dbcsr_logger_get_unit_nr

dbcsr_logger_get_unit_nr dbcsr_log_handling Function

returns the unit nr for the requested kind of log.

dbcsr_logger_release dbcsr_log_handling Subroutine

releases this logger

dbcsr_logger_retain dbcsr_log_handling Subroutine

retains the given logger (to be called to keep a shared copy of the logger)

dbcsr_logger_set dbcsr_log_handling Subroutine

sets various attributes of the given logger

dbcsr_logger_set_log_level dbcsr_log_handling Subroutine

changes the logging level. Log messages with a level less than the one given wo not be printed.

dbcsr_logger_would_log dbcsr_log_handling Function

this function can be called to check if the logger would log a message with the given level from the given source you should use this function if you do direct logging (without using dbcsr_logger_log), or if you want to know if the generation of some costly log info is necessary

dbcsr_logical_to_string dbcsr_log_handling Function

convert a logical in a string ('T' or 'F')

dbcsr_make_1dist_dense dbcsr_mm_dist_operations Subroutine

Makes a 1-D distribution dense.

dbcsr_make_buffers dbcsr_mm_3d Subroutine

Prepare orig images for MPI windows

dbcsr_make_dbcsr_index dbcsr_index_operations Subroutine

Collapses a row_p index

dbcsr_make_dense dbcsr_transformations Subroutine

Makes a dense matrix, inplace.

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dbcsr_make_dense_low dbcsr_transformations Subroutine

Copies a matrix and makes its data dense.

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dbcsr_make_dists_dense dbcsr_mm_dist_operations Subroutine

Prepares distributions for making dense matrices.

dbcsr_make_images dbcsr_mm_cannon Subroutine

Creates row and column images of a matrix.

dbcsr_make_images_dense dbcsr_mm_cannon Subroutine

Makes dense matrices for the image matrices.

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dbcsr_make_index_canonical dbcsr_index_operations Subroutine

Makes a canonical index to the distribution.

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dbcsr_make_index_exist dbcsr_index_operations Subroutine
dbcsr_make_index_list dbcsr_index_operations Subroutine

Converts BCSR index into list indices (similar to work matrices)

dbcsr_make_index_local_row dbcsr_index_operations Subroutine

Converts BCSR global row index to local row index.

dbcsr_make_null_dist dbcsr_test_methods Subroutine
dbcsr_make_null_mp dbcsr_test_methods Subroutine
dbcsr_make_random_block_sizes dbcsr_test_methods Subroutine
dbcsr_make_random_matrix dbcsr_test_methods Subroutine

Creates a random matrix.

dbcsr_make_undense dbcsr_transformations Subroutine

Makes a blocked matrix from a dense matrix, inplace

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dbcsr_make_untransposed_blocks dbcsr_transformations Subroutine

Detransposes all blocks in a matrix

dbcsr_max_col_size dbcsr_methods Function
dbcsr_max_row_size dbcsr_methods Function
dbcsr_maxabs dbcsr_api Function
dbcsr_maxabs dbcsr_operations Function

compute a norm of a dbcsr matrix

dbcsr_may_be_dense dbcsr_operations Function

Returns whether the matrix could be represented in a dense form

dbcsr_mempool_add dbcsr_mem_methods Subroutine

Adds an unused (refcount==0) data_area to the pool.

dbcsr_mempool_clear dbcsr_mem_methods Subroutine

Deallocates all data_areas contained in given mempool.

dbcsr_mempool_create dbcsr_mem_methods Subroutine

Creates a memory pool.

dbcsr_mempool_destruct dbcsr_mem_methods Subroutine

Finalizes mempool, includes deallocation of all contained data_areas.

dbcsr_mempool_get dbcsr_mem_methods Function

Picks a suitable data_area from mempool, returns Null() if none found.

dbcsr_mempool_limit_capacity dbcsr_mem_methods Subroutine

Ensures that mempool has at least the given capacity.

dbcsr_memtype_equal dbcsr_mem_methods Function

Test if two memtypes are equal

dbcsr_memtype_setup dbcsr_mem_methods Subroutine

Ensures that given memtype has requested settings.

dbcsr_merge_all dbcsr_work_operations Subroutine

Merge data from matrix and work matrices into the final matrix.

dbcsr_merge_single_wm dbcsr_work_operations Subroutine

Sort data from the WM into the final matrix, based closely on dbcsr_merge_all

dbcsr_mm_accdrv_barrier dbcsr_mm_accdrv Subroutine
dbcsr_mm_accdrv_dev2host_init dbcsr_mm_accdrv Subroutine

Finalizes a multiplication cycle for a set of C-blocks.

dbcsr_mm_accdrv_finalize dbcsr_mm_accdrv Subroutine

Finalizes a multiplication cycle for a set of C-blocks.

dbcsr_mm_accdrv_init dbcsr_mm_accdrv Subroutine

Initializes a multiplication cycle for new set of C-blocks.

dbcsr_mm_accdrv_lib_finalize dbcsr_mm_accdrv Subroutine

Finalize the library

dbcsr_mm_accdrv_lib_init dbcsr_mm_accdrv Subroutine

Initialize the library

dbcsr_mm_accdrv_process dbcsr_mm_accdrv Subroutine

Processes a given stack using accelerator

dbcsr_mm_csr_dev2host_init dbcsr_mm_csr Subroutine
dbcsr_mm_csr_finalize dbcsr_mm_csr Subroutine

Finalizes a multiplication cycle for a set of C-blocks.

dbcsr_mm_csr_init dbcsr_mm_csr Subroutine

Initializes a multiplication cycle for new set of C-blocks.

dbcsr_mm_csr_lib_finalize dbcsr_mm_csr Subroutine

Finalize the library

dbcsr_mm_csr_lib_init dbcsr_mm_csr Subroutine

Initialize the library

dbcsr_mm_csr_multiply dbcsr_mm_csr Subroutine

A wrapper around dbcsr_mm_csr_multiply_low to avoid expensive dereferencings.

dbcsr_mm_csr_multiply_low dbcsr_mm_csr Subroutine

Performs multiplication of smaller submatrices.

dbcsr_mm_csr_purge_stacks dbcsr_mm_csr Subroutine
dbcsr_mm_csr_red3D dbcsr_mm_csr Subroutine

Make the reduction of the 3D layers in the local csr object

dbcsr_mm_hostdrv_init dbcsr_mm_hostdrv Subroutine

Initialize the library

dbcsr_mm_hostdrv_lib_finalize dbcsr_mm_hostdrv Subroutine

Finalize the library

dbcsr_mm_hostdrv_lib_init dbcsr_mm_hostdrv Subroutine

Initialize the library

dbcsr_mm_hostdrv_process dbcsr_mm_hostdrv Subroutine

Calls the various drivers that process the stack.

dbcsr_mm_multrec_dev2host_init dbcsr_mm_multrec Subroutine

Sets up recursive multiplication

dbcsr_mm_multrec_finalize dbcsr_mm_multrec Subroutine

Sets up recursive multiplication

dbcsr_mm_multrec_get_nblks dbcsr_mm_multrec Function

Return number of blocks

dbcsr_mm_multrec_get_nze dbcsr_mm_multrec Function

Return data size

dbcsr_mm_multrec_init dbcsr_mm_multrec Subroutine

Sets up recursive multiplication

dbcsr_mm_multrec_lib_finalize dbcsr_mm_multrec Subroutine

Finalize the library

dbcsr_mm_multrec_lib_init dbcsr_mm_multrec Subroutine

Initialize the library

dbcsr_mm_multrec_multiply dbcsr_mm_multrec Subroutine

Multiplies two DBCSR matrices using recursive algorithm This routine sets up the multiplication. Specifically, it

dbcsr_mm_multrec_red3D dbcsr_mm_multrec Subroutine

Make the reduction of the 3D layers in the local multrec object

dbcsr_mm_sched_barrier dbcsr_mm_sched Subroutine

Signal that previous stacks should be processed first

dbcsr_mm_sched_begin_burst dbcsr_mm_sched Subroutine

Signal begin of a burst of calls to dbcsr_mm_sched_process.

dbcsr_mm_sched_dev2host_init dbcsr_mm_sched Subroutine

Finalizes a multiplication cycle for a set of C-blocks.

dbcsr_mm_sched_end_burst dbcsr_mm_sched Subroutine

Signal end of a burst of calls to dbcsr_mm_sched_process.

dbcsr_mm_sched_finalize dbcsr_mm_sched Subroutine

Finalizes a multiplication cycle for a set of C-blocks.

dbcsr_mm_sched_init dbcsr_mm_sched Subroutine

Initializes a multiplication cycle for new set of C-blocks.

dbcsr_mm_sched_lib_finalize dbcsr_mm_sched Subroutine

Finalize the library and prints DBCSR statistics

dbcsr_mm_sched_lib_init dbcsr_mm_sched Subroutine

Initialize the library

dbcsr_mm_sched_print_statistics dbcsr_mm_sched Subroutine

Prints DBCSR statistics

dbcsr_mm_sched_process dbcsr_mm_sched Subroutine

Processes a given stack. From here on there is no boundary checking due to assumed-SIZE-arguments. This is useful to check stack parameters, BUT it works only for kind=dp

dbcsr_mm_sched_set_orig_datasize dbcsr_mm_sched Subroutine

Change the datasize of the original workspace buffer

dbcsr_mp_active dbcsr_mp_methods Function

Checks whether this process is part of the message passing environment

dbcsr_mp_environ dbcsr_tas_util Function

Create a dbcsr mp environment from communicator

dbcsr_mp_get_process dbcsr_mp_methods Function
dbcsr_mp_grid_remove dbcsr_methods Subroutine

Removes an MPI cartesian process grid

dbcsr_mp_grid_setup dbcsr_mp_methods Subroutine

Sets up MPI cartesian process grid

dbcsr_mp_grid_setup dbcsr_api Subroutine
dbcsr_mp_group dbcsr_mp_methods Function
dbcsr_mp_has_subgroups dbcsr_mp_methods Function
dbcsr_mp_hold dbcsr_mp_methods Subroutine

Marks another use of the mp_env

dbcsr_mp_init dbcsr_mp_methods Subroutine

Initializes a new process grid

dbcsr_mp_make_env dbcsr_mp_methods Subroutine

Creates a sane mp_obj from the given MPI comm that is not a cartesian one (hack)

dbcsr_mp_my_col_group dbcsr_mp_methods Function
dbcsr_mp_my_row_group dbcsr_mp_methods Function
dbcsr_mp_mynode dbcsr_mp_methods Function
dbcsr_mp_mypcol dbcsr_mp_methods Function
dbcsr_mp_myprow dbcsr_mp_methods Function
dbcsr_mp_new dbcsr_mp_methods Interface
dbcsr_mp_new_grid dbcsr_mp_methods Subroutine

Creates new process grid

dbcsr_mp_new_group dbcsr_mp_methods Subroutine

Creates a new dbcsr_mp_obj based on a input template

dbcsr_mp_new_transposed dbcsr_mp_methods Subroutine

Transposes a multiprocessor environment

dbcsr_mp_npcols dbcsr_mp_methods Function
dbcsr_mp_nprows dbcsr_mp_methods Function
dbcsr_mp_numnodes dbcsr_mp_methods Function
dbcsr_mp_pgrid dbcsr_mp_methods Function
dbcsr_mp_release dbcsr_methods Subroutine

Releases and potentially destroys an mp_env

dbcsr_mp_type_from_anytype dbcsr_mp_operations Function

Creates an MPI combined type from the given anytype.

dbcsr_multiply dbcsr_api Interface
dbcsr_multiply dbcsr_multiply_api Interface
dbcsr_multiply_c dbcsr_api Subroutine
dbcsr_multiply_c dbcsr_multiply_api Subroutine
dbcsr_multiply_clear_mempools dbcsr_mm Subroutine

Deallocate memory contained in mempools

dbcsr_multiply_d dbcsr_api Subroutine
dbcsr_multiply_d dbcsr_multiply_api Subroutine
dbcsr_multiply_generic dbcsr_mm Subroutine

Performs a multiplication of two dbcsr_type matrices, as C := alpha * op( A ) * op( B ) + beta * C.

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dbcsr_multiply_lib_finalize dbcsr_mm Subroutine

Finalize the library

dbcsr_multiply_lib_init dbcsr_mm Subroutine

Initialize the library

dbcsr_multiply_print_statistics dbcsr_mm Subroutine

Print statistics

dbcsr_multiply_s dbcsr_api Subroutine
dbcsr_multiply_s dbcsr_multiply_api Subroutine
dbcsr_multiply_z dbcsr_api Subroutine
dbcsr_multiply_z dbcsr_multiply_api Subroutine
dbcsr_mutable_destroy dbcsr_methods Subroutine

Destroys a mutable data type

dbcsr_mutable_init dbcsr_methods Subroutine

Initializes a mutable data type

dbcsr_mutable_instantiated dbcsr_methods Function

Unregisters a reference to the mutable data type The object is destroy when there is no reference to it left.

dbcsr_mutable_new dbcsr_methods Subroutine

Creates a new mutable instance.

dbcsr_mutable_release dbcsr_methods Subroutine

Unregisters a reference to the mutable data type The object is destroy when there is no reference to it left.

dbcsr_name dbcsr_methods Function
dbcsr_nblkcols_local dbcsr_api Function
dbcsr_nblkcols_local dbcsr_methods Function
dbcsr_nblkcols_total dbcsr_api Function
dbcsr_nblkcols_total dbcsr_methods Function
dbcsr_nblkrows_local dbcsr_api Function
dbcsr_nblkrows_local dbcsr_methods Function
dbcsr_nblkrows_total dbcsr_api Function
dbcsr_nblkrows_total dbcsr_methods Function
dbcsr_new_image_dist dbcsr_mm_dist_operations Subroutine
dbcsr_new_transposed dbcsr_transformations Subroutine

Transposes a DBCSR matrix.

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dbcsr_nfullcols_local dbcsr_methods Function
dbcsr_nfullcols_total dbcsr_api Function
dbcsr_nfullcols_total dbcsr_methods Function
dbcsr_nfullrows_local dbcsr_methods Function
dbcsr_nfullrows_total dbcsr_api Function
dbcsr_nfullrows_total dbcsr_methods Function
dbcsr_norm dbcsr_api Interface
dbcsr_norm_r8_vec dbcsr_api Subroutine
dbcsr_norm_r8_vec dbcsr_operations Subroutine
dbcsr_norm_scalar dbcsr_api Subroutine
dbcsr_norm_scalar dbcsr_operations Subroutine

compute a norm of a dbcsr matrix

dbcsr_norm_vec dbcsr_operations Subroutine

compute the column norms of the dbcsr matrix

dbcsr_pack_meta dbcsr_dist_util Subroutine

Copies metadata into an array.

dbcsr_print dbcsr_api Subroutine
dbcsr_print dbcsr_io Subroutine

Prints a BCSR matrix (block-style, not full)

dbcsr_print_block_sum dbcsr_api Subroutine

Prints the sum of the elements in each block

dbcsr_print_block_sum dbcsr_io Subroutine

Prints the sum of the elements for each block

dbcsr_print_config dbcsr_config Subroutine

Prints configuration for DBCSR

dbcsr_print_statistics dbcsr_lib Subroutine

Show the whole DBCSR statistics Prepares the DBCSR library for use.

dbcsr_print_statistics dbcsr_api Subroutine

Print statistics

dbcsr_print_timers dbcsr_lib Subroutine

Print timers

dbcsr_printmat dbcsr_io Interface
dbcsr_printmat_matlab_c dbcsr_io Subroutine
dbcsr_printmat_matlab_d dbcsr_io Subroutine

Prints the elements of a matrix.

dbcsr_printmat_matlab_s dbcsr_io Subroutine
dbcsr_printmat_matlab_z dbcsr_io Subroutine
dbcsr_put_block dbcsr_api Interface
dbcsr_put_block dbcsr_block_access Interface
dbcsr_put_block2d_c dbcsr_api Subroutine
dbcsr_put_block2d_c dbcsr_block_access Subroutine

Put a 2-D block in a DBCSR matrix

dbcsr_put_block2d_d dbcsr_api Subroutine
dbcsr_put_block2d_d dbcsr_block_access Subroutine

Put a 2-D block in a DBCSR matrix

dbcsr_put_block2d_s dbcsr_api Subroutine
dbcsr_put_block2d_s dbcsr_block_access Subroutine

Put a 2-D block in a DBCSR matrix

dbcsr_put_block2d_z dbcsr_api Subroutine
dbcsr_put_block2d_z dbcsr_block_access Subroutine

Put a 2-D block in a DBCSR matrix

dbcsr_put_block_area dbcsr_block_access Subroutine

We allow : matrix(dp) [+]= [scale(dp)] * block(dp) matrix(dp) [+]= [scale(dp)] * block(sp) matrix(sp) [+]= [scale(dp)] * block(sp)

dbcsr_put_block_c dbcsr_api Subroutine
dbcsr_put_block_c dbcsr_block_access Subroutine

Inserts a block in a dbcsr matrix. If the block exists, the current data is overwritten.

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dbcsr_put_block_d dbcsr_api Subroutine
dbcsr_put_block_d dbcsr_block_access Subroutine

Inserts a block in a dbcsr matrix. If the block exists, the current data is overwritten.

Read more…
dbcsr_put_block_s dbcsr_api Subroutine
dbcsr_put_block_s dbcsr_block_access Subroutine

Inserts a block in a dbcsr matrix. If the block exists, the current data is overwritten.

Read more…
dbcsr_put_block_z dbcsr_api Subroutine
dbcsr_put_block_z dbcsr_block_access Subroutine

Inserts a block in a dbcsr matrix. If the block exists, the current data is overwritten.

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dbcsr_random_dist dbcsr_test_methods Subroutine
dbcsr_real_dp_to_string dbcsr_log_handling Function

convert a double precision real in a string (should be a variable length string, but that does not work with all the compilers)

dbcsr_reblocking_targets dbcsr_dist_operations Subroutine

Calculates the intersections of blocks

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dbcsr_redistribute dbcsr_transformations Subroutine

Redistributes a DBCSR matrix. The new distribution should have compatible row and column blocks.

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dbcsr_release dbcsr_api Subroutine
dbcsr_release dbcsr_methods Subroutine

Releases a reference for a DBCSR matrix If there are no references left, the matrix is destroyed.

dbcsr_release_locals dbcsr_methods Subroutine
dbcsr_release_p dbcsr_api Subroutine
dbcsr_remove_block dbcsr_block_access Subroutine

Marks a block for removal from a DBCSR matrix. Handles symmetric matrices.

dbcsr_repl_get_stored_coordinates dbcsr_tas_base Subroutine

Get all processors for a given row/col combination if matrix is replicated on each process subgroup.

dbcsr_replicate dbcsr_transformations Subroutine

Replicates a DBCSR matrix among process rows and columns

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dbcsr_replicate_all dbcsr_api Subroutine
dbcsr_replicate_all dbcsr_transformations Subroutine

Replicates a DBCSR on all processors.

dbcsr_repoint_index dbcsr_index_operations Subroutine

Updates the index pointers of a bcsr matrix

dbcsr_reserve_all_blocks dbcsr_api Subroutine
dbcsr_reserve_all_blocks dbcsr_block_access Subroutine

Inserts all blocks of a dbcsr matrix to make it a full matrix. Thus obviously not linear scaling.

dbcsr_reserve_block2d dbcsr_api Interface
dbcsr_reserve_block2d dbcsr_block_access Interface
dbcsr_reserve_block2d_c dbcsr_api Subroutine
dbcsr_reserve_block2d_c dbcsr_block_access Subroutine

Put a 2-D block in a DBCSR matrix using the btree

dbcsr_reserve_block2d_d dbcsr_api Subroutine
dbcsr_reserve_block2d_d dbcsr_block_access Subroutine

Put a 2-D block in a DBCSR matrix using the btree

dbcsr_reserve_block2d_s dbcsr_api Subroutine
dbcsr_reserve_block2d_s dbcsr_block_access Subroutine

Put a 2-D block in a DBCSR matrix using the btree

dbcsr_reserve_block2d_z dbcsr_api Subroutine
dbcsr_reserve_block2d_z dbcsr_block_access Subroutine

Put a 2-D block in a DBCSR matrix using the btree

dbcsr_reserve_blocks dbcsr_api Subroutine
dbcsr_reserve_blocks dbcsr_block_access Subroutine

Inserts block reservations into a matrix, avoiding the work matrix.

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dbcsr_reserve_diag_blocks dbcsr_api Subroutine
dbcsr_reserve_diag_blocks dbcsr_block_access Subroutine

Inserts diagonal blocks of a dbcsr matrix to make it a matrix with at least all diagonal blocks present

dbcsr_reset_locals dbcsr_mm_dist_operations Subroutine

Resets local rows, columns to the correct arrays and values.

dbcsr_reset_randmat_seed dbcsr_test_methods Subroutine

Reset the seed used for generating random matrices to default value

dbcsr_reset_vlocals dbcsr_mm_dist_operations Subroutine

Resets local rows, columns to the correct arrays and values for images.

dbcsr_rget_any dbcsr_mp_operations Subroutine

Single-sided Get function of encapsulated data.

dbcsr_rm_default_logger dbcsr_log_handling Subroutine

the cousin of dbcsr_add_default_logger, decrements the stack, so that the default logger is what it has been

dbcsr_row_block_offsets dbcsr_methods Function
dbcsr_row_block_sizes dbcsr_methods Function
dbcsr_run_tests dbcsr_api Subroutine
dbcsr_run_tests dbcsr_tests Subroutine

Performs a variety of matrix multiplies of same matrices on different processor grids

dbcsr_scalar dbcsr_data_methods_low Interface

Encapsulates a scalar.

dbcsr_scalar_are_equal dbcsr_data_methods_low Function

Returns whether an encapsulated scalar is equal to another value

dbcsr_scalar_c dbcsr_data_methods_low Function

Sets a scalar in an encapsulated data structure

dbcsr_scalar_d dbcsr_data_methods_low Function

Sets a scalar in an encapsulated data structure

dbcsr_scalar_fill_all dbcsr_data_methods_low Subroutine

Fills all data and precision types from the set one

dbcsr_scalar_get_type dbcsr_data_methods_low Function

Returns data type of a scalar

dbcsr_scalar_get_value dbcsr_data_methods_low Interface

Encapsulates a scalar.

dbcsr_scalar_get_value_c dbcsr_data_methods_low Subroutine

Sets a scalar in an encapsulated data structure

dbcsr_scalar_get_value_d dbcsr_data_methods_low Subroutine

Sets a scalar in an encapsulated data structure

dbcsr_scalar_get_value_s dbcsr_data_methods_low Subroutine

Sets a scalar in an encapsulated data structure

dbcsr_scalar_get_value_z dbcsr_data_methods_low Subroutine

Sets a scalar in an encapsulated data structure

dbcsr_scalar_multiply dbcsr_data_methods_low Function
dbcsr_scalar_negative dbcsr_data_methods_low Function

Returns an encapsulated scalar as a negation of the given

dbcsr_scalar_one dbcsr_data_methods_low Function

Returns an encapsulated scalar "1"

dbcsr_scalar_s dbcsr_data_methods_low Function

Sets a scalar in an encapsulated data structure

dbcsr_scalar_set_type dbcsr_data_methods_low Subroutine

Sets data type of a scalar

dbcsr_scalar_z dbcsr_data_methods_low Function

Sets a scalar in an encapsulated data structure

dbcsr_scalar_zero dbcsr_data_methods_low Function

Returns an encapsulated scalar "0"

dbcsr_scale dbcsr_api Interface
dbcsr_scale dbcsr_operations Interface
dbcsr_scale_anytype dbcsr_operations Subroutine

Scales a DBCSR matrix by alpha

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dbcsr_scale_by_vector dbcsr_api Interface
dbcsr_scale_by_vector dbcsr_operations Interface
dbcsr_scale_by_vector_anytype dbcsr_operations Subroutine

Scales a DBCSR matrix by alpha

dbcsr_scale_by_vector_c dbcsr_api Subroutine
dbcsr_scale_by_vector_c dbcsr_operations Subroutine

Interface for matrix scaling by a vector

dbcsr_scale_by_vector_d dbcsr_api Subroutine
dbcsr_scale_by_vector_d dbcsr_operations Subroutine

Interface for matrix scaling by a vector

dbcsr_scale_by_vector_s dbcsr_api Subroutine
dbcsr_scale_by_vector_s dbcsr_operations Subroutine

Interface for matrix scaling by a vector

dbcsr_scale_by_vector_z dbcsr_api Subroutine
dbcsr_scale_by_vector_z dbcsr_operations Subroutine

Interface for matrix scaling by a vector

dbcsr_scale_c dbcsr_api Subroutine
dbcsr_scale_c dbcsr_operations Subroutine

Interface for matrix scaling by a scalar

dbcsr_scale_d dbcsr_api Subroutine
dbcsr_scale_d dbcsr_operations Subroutine

Interface for matrix scaling by a scalar

dbcsr_scale_s dbcsr_api Subroutine
dbcsr_scale_s dbcsr_operations Subroutine

Interface for matrix scaling by a scalar

dbcsr_scale_z dbcsr_api Subroutine
dbcsr_scale_z dbcsr_operations Subroutine

Interface for matrix scaling by a scalar

dbcsr_sendrecv_any dbcsr_mp_operations Subroutine

sendrecv of encapsulated data.

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dbcsr_set dbcsr_api Interface
dbcsr_set dbcsr_operations Interface
dbcsr_set_block_pointer dbcsr_block_access Interface
dbcsr_set_block_pointer_2d_c dbcsr_block_access Subroutine

Sets a pointer, possibly using the buffers.

dbcsr_set_block_pointer_2d_d dbcsr_block_access Subroutine

Sets a pointer, possibly using the buffers.

dbcsr_set_block_pointer_2d_s dbcsr_block_access Subroutine

Sets a pointer, possibly using the buffers.

dbcsr_set_block_pointer_2d_z dbcsr_block_access Subroutine

Sets a pointer, possibly using the buffers.

dbcsr_set_block_pointer_any dbcsr_block_access Subroutine

Sets a pointer, possibly using the buffers.

dbcsr_set_c dbcsr_api Subroutine
dbcsr_set_c dbcsr_operations Subroutine

Interface for dbcsr_set

dbcsr_set_config dbcsr_config Subroutine
dbcsr_set_d dbcsr_api Subroutine
dbcsr_set_d dbcsr_operations Subroutine

Interface for dbcsr_set

dbcsr_set_diag dbcsr_api Interface
dbcsr_set_diag dbcsr_operations Interface
dbcsr_set_diag_c dbcsr_api Subroutine
dbcsr_set_diag_c dbcsr_operations Subroutine
dbcsr_set_diag_d dbcsr_api Subroutine
dbcsr_set_diag_d dbcsr_operations Subroutine
dbcsr_set_diag_s dbcsr_api Subroutine
dbcsr_set_diag_s dbcsr_operations Subroutine
dbcsr_set_diag_z dbcsr_api Subroutine
dbcsr_set_diag_z dbcsr_operations Subroutine
dbcsr_set_s dbcsr_api Subroutine
dbcsr_set_s dbcsr_operations Subroutine

Interface for dbcsr_set

dbcsr_set_work_size dbcsr_api Subroutine
dbcsr_set_z dbcsr_api Subroutine
dbcsr_set_z dbcsr_operations Subroutine

Interface for dbcsr_set

dbcsr_setname dbcsr_api Subroutine
dbcsr_setname dbcsr_methods Subroutine
dbcsr_sort_data dbcsr_data_operations Subroutine

Sorts the data in a matrix so that the data blocks follow sequentially.

dbcsr_sort_indices dbcsr_index_operations Subroutine

Sorts the rows & columns of a work matrix

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dbcsr_special_finalize dbcsr_work_operations Subroutine
dbcsr_sum_replicated dbcsr_api Subroutine
dbcsr_sum_replicated dbcsr_operations Subroutine

Sums blocks in a replicated dbcsr matrix, which has the same structure on all ranks.

dbcsr_switch dbcsr_mm_cannon Interface
dbcsr_switch_d_ptrs dbcsr_mm_cannon Subroutine

Switches pointers between two data areas

dbcsr_switch_data_area dbcsr_data_operations Subroutine

Sets the data area of a matrix

dbcsr_switch_sets dbcsr_mm_cannon Subroutine

Switches pointers between two matrix sets

dbcsr_t_align_index dbcsr_tensor Subroutine

Align index with data

dbcsr_t_allocate_and_get_2d_block_c_dp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_2d_block_c_sp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_2d_block_r_dp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_2d_block_r_sp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_3d_block_c_dp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_3d_block_c_sp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_3d_block_r_dp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_3d_block_r_sp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_4d_block_c_dp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_4d_block_c_sp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_4d_block_r_dp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_allocate_and_get_4d_block_r_sp dbcsr_tensor_block Subroutine

allocate and get block

dbcsr_t_batched_contract_finalize dbcsr_tensor Subroutine

finalize batched contraction. This performs all communication that has been postponed in the contraction calls.

dbcsr_t_batched_contract_init dbcsr_tensor Subroutine

Initialize batched contraction for this tensor.

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dbcsr_t_blk_offsets dbcsr_tensor_types Subroutine

offset of tensor block

dbcsr_t_blk_size dbcsr_tensor_types Function

block size of block with index ind along dimension idim

dbcsr_t_blk_sizes dbcsr_tensor_types Subroutine

Size of tensor block

dbcsr_t_change_pgrid dbcsr_tensor Subroutine

change the process grid of a tensor

dbcsr_t_change_pgrid_2d dbcsr_tensor Subroutine

map tensor to a new 2d process grid for the matrix representation.

dbcsr_t_checksum dbcsr_tensor_test Function

checksum of a tensor consistent with dbcsr_checksum

dbcsr_t_clear dbcsr_tensor_types Subroutine

Clear tensor (s.t. it does not contain any blocks)

dbcsr_t_communicate_buffer dbcsr_tensor_reshape Subroutine

communicate buffer

dbcsr_t_contract dbcsr_tensor Subroutine

Contract tensors by multiplying matrix representations. tensor_3(map_1, map_2) := alpha * tensor_1(notcontract_1, contract_1) * tensor_2(contract_2, notcontract_2) + beta * tensor_3(map_1, map_2)

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dbcsr_t_contract_expert dbcsr_tensor Subroutine

expert routine for tensor contraction. For internal use only.

dbcsr_t_contract_index dbcsr_tensor Subroutine

get indices of non-zero tensor blocks for contraction result without actually performing contraction. this is an estimate based on block norm multiplication. See documentation of dbcsr_t_contract.

dbcsr_t_contract_test dbcsr_tensor_test Subroutine

test tensor contraction

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dbcsr_t_copy dbcsr_tensor Subroutine

Copy tensor data. Redistributes tensor data according to distributions of target and source tensor. Permutes tensor index according to order argument (if present). Source and target tensor formats are arbitrary as long as the following requirements are met: * source and target tensors have the same rank and the same sizes in each dimension in terms of tensor elements (block sizes don't need to be the same). If order argument is present, sizes must match after index permutation. OR * target tensor is not yet created, in this case an exact copy of source tensor is returned.

dbcsr_t_copy_contraction_storage dbcsr_tensor_types Subroutine
dbcsr_t_copy_expert dbcsr_tensor Subroutine

expert routine for copying a tensor. For internal use only.

dbcsr_t_copy_matrix_to_tensor dbcsr_tensor Subroutine

copy matrix to tensor.

dbcsr_t_copy_nocomm dbcsr_tensor Subroutine

copy without communication, requires that both tensors have same process grid and distribution

dbcsr_t_copy_tensor_to_matrix dbcsr_tensor Subroutine

copy tensor to matrix

dbcsr_t_create dbcsr_tensor_types Interface
dbcsr_t_create_matrix dbcsr_tensor_types Subroutine

Create 2-rank tensor from matrix.

dbcsr_t_create_new dbcsr_tensor_types Subroutine

create a tensor. For performance, the arguments map1_2d and map2_2d (controlling matrix representation of tensor) should be consistent with the the contraction to be performed (see documentation of dbcsr_t_contract).

dbcsr_t_create_template dbcsr_tensor_types Subroutine

create a tensor from template

dbcsr_t_crop dbcsr_tensor_split Subroutine
dbcsr_t_default_distvec dbcsr_tensor_types Subroutine

get a load-balanced and randomized distribution along one tensor dimension

dbcsr_t_destroy dbcsr_tensor_types Subroutine

Destroy a tensor

dbcsr_t_distribution dbcsr_tensor_types Function

get distribution from tensor \return distribution

dbcsr_t_distribution_destroy dbcsr_tensor_types Subroutine

Destroy tensor distribution

dbcsr_t_distribution_hold dbcsr_tensor_types Subroutine

reference counting for distribution (only needed for communicator handle that must be freed when no longer needed)

dbcsr_t_distribution_new dbcsr_tensor_types Subroutine

Create a tensor distribution.

dbcsr_t_distribution_new_expert dbcsr_tensor_types Subroutine

Create a tensor distribution.

dbcsr_t_distribution_remap dbcsr_tensor_types Subroutine
dbcsr_t_equal dbcsr_tensor_test Function

check if two (arbitrarily mapped and distributed) tensors are equal.

dbcsr_t_filter dbcsr_tensor_types Interface
dbcsr_t_filter_c_dp dbcsr_tensor_types Subroutine

As dbcsr_filter

dbcsr_t_filter_c_sp dbcsr_tensor_types Subroutine

As dbcsr_filter

dbcsr_t_filter_r_dp dbcsr_tensor_types Subroutine

As dbcsr_filter

dbcsr_t_filter_r_sp dbcsr_tensor_types Subroutine

As dbcsr_filter

dbcsr_t_finalize dbcsr_tensor_types Subroutine

Finalize tensor, as dbcsr_finalize. This should be taken care of internally in dbcsr tensors, there should not be any need to call this routine outside of dbcsr tensors.

dbcsr_t_get_2d_block_c_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_2d_block_c_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_2d_block_r_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_2d_block_r_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_3d_block_c_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_3d_block_c_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_3d_block_r_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_3d_block_r_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_4d_block_c_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_4d_block_c_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_4d_block_r_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_4d_block_r_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_get_block.

dbcsr_t_get_anyd_block dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_get_block (arbitrary tensor rank and arbitrary datatype)

dbcsr_t_get_anyd_block_c_dp dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_get_block (arbitrary tensor rank)

dbcsr_t_get_anyd_block_c_sp dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_get_block (arbitrary tensor rank)

dbcsr_t_get_anyd_block_r_dp dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_get_block (arbitrary tensor rank)

dbcsr_t_get_anyd_block_r_sp dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_get_block (arbitrary tensor rank)

dbcsr_t_get_block dbcsr_tensor_block Interface
dbcsr_t_get_data_size dbcsr_tensor_types Function

As dbcsr_get_data_size

dbcsr_t_get_data_type dbcsr_tensor_types Function

tensor data type

dbcsr_t_get_info dbcsr_tensor_types Subroutine

As dbcsr_get_info but for tensors

dbcsr_t_get_mapping_info dbcsr_tensor_index Subroutine

get mapping info

dbcsr_t_get_num_blocks dbcsr_tensor_types Function

As dbcsr_get_num_blocks: get number of local blocks

dbcsr_t_get_num_blocks_total dbcsr_tensor_types Function

Get total number of blocks

dbcsr_t_get_nze dbcsr_tensor_types Function
dbcsr_t_get_nze_total dbcsr_tensor_types Function
dbcsr_t_get_stored_coordinates dbcsr_tensor_types Subroutine

Generalization of dbcsr_get_stored_coordinates for tensors.

dbcsr_t_hold dbcsr_tensor_types Subroutine

reference counting for tensors (only needed for communicator handle that must be freed when no longer needed)

dbcsr_t_inverse_order dbcsr_tensor_index Function

Invert order

dbcsr_t_iterator_blocks_left dbcsr_tensor_block Function

Generalization of dbcsr_iterator_blocks_left for tensors.

dbcsr_t_iterator_next_block dbcsr_tensor_block Subroutine

iterate over nd blocks of an nd rank tensor, index only (blocks must be retrieved by calling dbcsr_t_get_block on tensor).

dbcsr_t_iterator_start dbcsr_tensor_block Subroutine

Generalization of dbcsr_iterator_start for tensors.

dbcsr_t_iterator_stop dbcsr_tensor_block Subroutine

Generalization of dbcsr_iterator_stop for tensors.

dbcsr_t_make_compatible_blocks dbcsr_tensor_split Subroutine

split two tensors with same total sizes but different block sizes such that they have equal block sizes \move_data memory optimization: transfer data s.t. tensor1 and tensor2 may be empty on return

dbcsr_t_map_bounds_to_tensors dbcsr_tensor Subroutine

Map contraction bounds to bounds referring to tensor indices see dbcsr_t_contract for docu of dummy arguments

dbcsr_t_max_nblks_local dbcsr_tensor_types Function

returns an estimate of maximum number of local blocks in tensor (irrespective of the actual number of currently present blocks) this estimate is based on the following assumption: tensor data is dense and load balancing is within a factor of 2

dbcsr_t_mp_dims_create dbcsr_tensor_types Subroutine

Create process grid dimensions corresponding to one dimension of the matrix representation of a tensor, imposing that no process grid dimension is greater than the corresponding tensor dimension.

dbcsr_t_nblks_local dbcsr_tensor_types Function

local number of blocks along dimension idim

dbcsr_t_nblks_total dbcsr_tensor_types Function

total numbers of blocks along dimension idim

dbcsr_t_nd_mp_comm dbcsr_tensor_types Function

Create a default nd process topology that is consistent with a given 2d topology. Purpose: a nd tensor defined on the returned process grid can be represented as a DBCSR matrix with the given 2d topology. This is needed to enable contraction of 2 tensors (must have the same 2d process grid). \return with nd cartesian grid

dbcsr_t_nd_mp_comm dbcsr_tensor_api Function
dbcsr_t_nd_mp_free dbcsr_tensor_types Subroutine

Release the MPI communicator.

dbcsr_t_permute_index dbcsr_tensor Subroutine

Create new tensor by reordering index, data is copied exactly (shallow copy)

dbcsr_t_pgrid_change_dims dbcsr_tensor_types Subroutine

change dimensions of an existing process grid.

dbcsr_t_pgrid_create dbcsr_tensor_types Subroutine
dbcsr_t_pgrid_create dbcsr_tensor_api Subroutine
dbcsr_t_pgrid_create_expert dbcsr_tensor_types Subroutine

Create an n-dimensional process grid. We can not use a n-dimensional MPI cartesian grid for tensors since the mapping between n-dim. and 2-dim. index allows for an arbitrary reordering of tensor index. Therefore we can not use n-dim. MPI Cartesian grid because it may not be consistent with the respective 2d grid. The 2d Cartesian MPI grid is the reference grid (since tensor data is stored as DBCSR matrix) and this routine creates an object that is a n-dim. interface to this grid. map1_2d and map2_2d don't need to be specified (correctly), grid may be redefined in dbcsr_t_distribution_new Note that pgrid is equivalent to a MPI cartesian grid only if map1_2d and map2_2d don't reorder indices (which is the case if [map1_2d, map2_2d] == [1, 2, ..., ndims]). Otherwise the mapping of grid coordinates to processes depends on the ordering of the indices and is not equivalent to a MPI cartesian grid.

dbcsr_t_pgrid_create_expert dbcsr_tensor_api Subroutine
dbcsr_t_pgrid_destroy dbcsr_tensor_types Subroutine

destroy process grid

dbcsr_t_pgrid_remap dbcsr_tensor_types Subroutine

remap a process grid (needed when mapping between tensor and matrix index is changed)

dbcsr_t_pgrid_set_strict_split dbcsr_tensor_types Subroutine

freeze current split factor such that it is never changed during contraction

dbcsr_t_print_contraction_index dbcsr_tensor Subroutine

print tensor contraction indices in a human readable way

dbcsr_t_put_2d_block_c_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_2d_block_c_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_2d_block_r_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_2d_block_r_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_3d_block_c_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_3d_block_c_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_3d_block_r_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_3d_block_r_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_4d_block_c_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_4d_block_c_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_4d_block_r_dp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_4d_block_r_sp dbcsr_tensor_block Subroutine

Template for dbcsr_t_put_block.

dbcsr_t_put_anyd_block dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_put_block (arbitrary tensor rank and arbitrary datatype)

dbcsr_t_put_anyd_block_c_dp dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_put_block, template for datatype

dbcsr_t_put_anyd_block_c_sp dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_put_block, template for datatype

dbcsr_t_put_anyd_block_r_dp dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_put_block, template for datatype

dbcsr_t_put_anyd_block_r_sp dbcsr_tensor_block Subroutine

Generic implementation of dbcsr_t_put_block, template for datatype

dbcsr_t_put_block dbcsr_tensor_block Interface
dbcsr_t_remap dbcsr_tensor Subroutine

Copy tensor to tensor with modified index mapping

dbcsr_t_reserve_blocks dbcsr_tensor_block Interface
dbcsr_t_reserve_blocks_index dbcsr_tensor_block Subroutine

reserve tensor blocks using block indices

dbcsr_t_reserve_blocks_index_array dbcsr_tensor_block Subroutine

reserve blocks from indices as array object

dbcsr_t_reserve_blocks_matrix_to_tensor dbcsr_tensor_block Subroutine

reserve tensor blocks using matrix template

dbcsr_t_reserve_blocks_template dbcsr_tensor_block Subroutine

reserve tensor blocks using template

dbcsr_t_reserve_blocks_tensor_to_matrix dbcsr_tensor_block Subroutine

reserve matrix blocks using tensor template

dbcsr_t_reserved_block_indices dbcsr_tensor_block Subroutine

indices of non-zero blocks

dbcsr_t_reset_randmat_seed dbcsr_tensor_test Subroutine

Reset the seed used for generating random matrices to default value

dbcsr_t_reshape dbcsr_tensor_reshape Subroutine

copy data (involves reshape)

dbcsr_t_scale dbcsr_tensor_types Subroutine

as dbcsr_scale

dbcsr_t_set dbcsr_tensor_types Interface
dbcsr_t_set_c_dp dbcsr_tensor_types Subroutine

As dbcsr_set

dbcsr_t_set_c_sp dbcsr_tensor_types Subroutine

As dbcsr_set

dbcsr_t_set_r_dp dbcsr_tensor_types Subroutine

As dbcsr_set

dbcsr_t_set_r_sp dbcsr_tensor_types Subroutine

As dbcsr_set

dbcsr_t_setup_test_tensor dbcsr_tensor_test Subroutine

Allocate and fill test tensor - entries are enumerated by their index s.t. they only depend on global properties of the tensor but not on distribution, matrix representation, etc.

dbcsr_t_split_blocks dbcsr_tensor_split Subroutine

Split tensor blocks into smaller blocks of maximum size PRODUCT(block_sizes).

dbcsr_t_split_blocks_generic dbcsr_tensor_split Subroutine

Split tensor blocks into smaller blocks

dbcsr_t_split_copyback dbcsr_tensor_split Subroutine

Copy tensor with split blocks to tensor with original block sizes.

dbcsr_t_test_formats dbcsr_tensor_test Subroutine

Test equivalence of all tensor formats, using a random distribution.

dbcsr_t_write_block dbcsr_tensor_io Subroutine

Write a tensor block

dbcsr_t_write_block_indices dbcsr_tensor_io Subroutine
dbcsr_t_write_blocks dbcsr_tensor_io Subroutine

Write all tensor blocks

dbcsr_t_write_split_info dbcsr_tensor_io Subroutine
dbcsr_t_write_tensor_dist dbcsr_tensor_io Subroutine

Write info on tensor distribution & load balance

dbcsr_t_write_tensor_info dbcsr_tensor_io Subroutine

Write tensor global info: block dimensions, full dimensions and process grid dimensions

dbcsr_tas_batched_mm_complete dbcsr_tas_mm Subroutine
dbcsr_tas_batched_mm_finalize dbcsr_tas_mm Subroutine
dbcsr_tas_batched_mm_init dbcsr_tas_mm Subroutine
dbcsr_tas_benchmark_mm dbcsr_tas_test Subroutine

Benchmark routine. Due to random sparsity (as opposed to structured sparsity pattern), this may not be representative for actual applications.

dbcsr_tas_blk_size_arb dbcsr_tas_global Interface
dbcsr_tas_blk_size_one dbcsr_tas_global Interface
dbcsr_tas_blk_size_repl dbcsr_tas_global Interface
dbcsr_tas_blk_size_t dbcsr_tensor_types Interface
dbcsr_tas_blk_sizes dbcsr_tas_base Subroutine

Get block size for a given row & column

dbcsr_tas_checksum dbcsr_tas_test Function

Calculate checksum of tall-and-skinny matrix consistent with dbcsr_checksum

dbcsr_tas_clear dbcsr_tas_base Subroutine

Clear matrix (erase all data)

dbcsr_tas_communicate_buffer dbcsr_tas_reshape_ops Subroutine

communicate buffer

dbcsr_tas_convert_to_dbcsr dbcsr_tas_base Subroutine

Convert a tall-and-skinny matrix into a normal DBCSR matrix. This is not recommended for matrices with a very large dimension.

dbcsr_tas_convert_to_tas dbcsr_tas_base Subroutine

Converts a DBCSR matrix into the tall-and-skinny matrix type.

dbcsr_tas_copy dbcsr_tas_base Subroutine

Copy matrix_a to matrix_b

dbcsr_tas_copy_distribution dbcsr_tas_base Subroutine

Copy a distribution

dbcsr_tas_create dbcsr_tas_base Interface
dbcsr_tas_create_new dbcsr_tas_base Subroutine

Create new tall-and-skinny matrix. Exactly like dbcsr_create_new but with custom types for row_blk_size and col_blk_size instead of arrays.

dbcsr_tas_create_split dbcsr_tas_split Subroutine

Split Cartesian process grid using a default split heuristic.

dbcsr_tas_create_split_rows_or_cols dbcsr_tas_split Subroutine

split mpi grid by rows or columns

dbcsr_tas_create_template dbcsr_tas_base Subroutine

Create matrix from template

dbcsr_tas_default_distvec dbcsr_tas_global Subroutine

get a load-balanced and randomized distribution along one tensor dimension

dbcsr_tas_destroy dbcsr_tas_base Subroutine
dbcsr_tas_dist_arb dbcsr_tas_global Interface
dbcsr_tas_dist_arb_default dbcsr_tas_global Function

Distribution that is more or less cyclic (round robin) and load balanced with different weights for each element. This is used for creating adhoc distributions whenever matrices are mapped to new grids. Only for small dimensions since distribution is created as an array

dbcsr_tas_dist_cyclic dbcsr_tas_global Interface
dbcsr_tas_dist_repl dbcsr_tas_global Interface
dbcsr_tas_dist_t dbcsr_tensor_types Interface
dbcsr_tas_distribution_destroy dbcsr_tas_base Subroutine
dbcsr_tas_distribution_new dbcsr_tas_base Subroutine

create new distribution. Exactly like dbcsr_distribution_new but with custom types for row_dist and col_dist instead of arrays.

dbcsr_tas_filter dbcsr_tas_base Interface
dbcsr_tas_filter_c_dp dbcsr_tas_base Subroutine

As dbcsr_filter

dbcsr_tas_filter_c_sp dbcsr_tas_base Subroutine

As dbcsr_filter

dbcsr_tas_filter_r_dp dbcsr_tas_base Subroutine

As dbcsr_filter

dbcsr_tas_filter_r_sp dbcsr_tas_base Subroutine

As dbcsr_filter

dbcsr_tas_finalize dbcsr_tas_base Subroutine
dbcsr_tas_get_block_p dbcsr_tas_base Interface
dbcsr_tas_get_block_p dbcsr_tas_base Interface
dbcsr_tas_get_block_p_area dbcsr_tas_base Subroutine

As dbcsr_get_block_p

dbcsr_tas_get_block_p_c_dp dbcsr_tas_base Subroutine

As dbcsr_get_block_p

dbcsr_tas_get_block_p_c_sp dbcsr_tas_base Subroutine

As dbcsr_get_block_p

dbcsr_tas_get_block_p_r_dp dbcsr_tas_base Subroutine

As dbcsr_get_block_p

dbcsr_tas_get_block_p_r_sp dbcsr_tas_base Subroutine

As dbcsr_get_block_p

dbcsr_tas_get_data_size dbcsr_tas_base Function

As dbcsr_get_data_size

dbcsr_tas_get_data_type dbcsr_tas_base Function

As dbcsr_get_data_type

dbcsr_tas_get_info dbcsr_tas_base Subroutine
dbcsr_tas_get_num_blocks dbcsr_tas_base Function

As dbcsr_get_num_blocks: get number of local blocks

dbcsr_tas_get_num_blocks_total dbcsr_tas_base Function

get total number of blocks

dbcsr_tas_get_nze dbcsr_tas_base Function

As dbcsr_get_nze: get number of local non-zero elements

dbcsr_tas_get_nze_total dbcsr_tas_base Function

Get total number of non-zero elements

dbcsr_tas_get_split_info dbcsr_tas_split Subroutine

Get info on split

dbcsr_tas_get_stored_coordinates dbcsr_tas_base Subroutine

As dbcsr_get_stored_coordinates

dbcsr_tas_info dbcsr_tas_base Function

get info on mpi grid splitting

dbcsr_tas_info_hold dbcsr_tas_split Subroutine
dbcsr_tas_iterator_blocks_left dbcsr_tas_base Function

As dbcsr_iterator_blocks_left

dbcsr_tas_iterator_next_area_block dbcsr_tas_base Subroutine

As dbcsr_iterator_next_block

dbcsr_tas_iterator_next_block dbcsr_tas_base Interface
dbcsr_tas_iterator_next_block dbcsr_tas_base Interface
dbcsr_tas_iterator_next_block_c_dp dbcsr_tas_base Subroutine

As dbcsr_iterator_next_block

dbcsr_tas_iterator_next_block_c_sp dbcsr_tas_base Subroutine

As dbcsr_iterator_next_block

dbcsr_tas_iterator_next_block_index dbcsr_tas_base Subroutine

As dbcsr_iterator_next_block

dbcsr_tas_iterator_next_block_r_dp dbcsr_tas_base Subroutine

As dbcsr_iterator_next_block

dbcsr_tas_iterator_next_block_r_sp dbcsr_tas_base Subroutine

As dbcsr_iterator_next_block

dbcsr_tas_iterator_start dbcsr_tas_base Subroutine

As dbcsr_iterator_start

dbcsr_tas_iterator_stop dbcsr_tas_base Subroutine

As dbcsr_iterator_stop

dbcsr_tas_merge dbcsr_tas_reshape_ops Subroutine

Merge submatrices of matrix_in to matrix_out by sum

dbcsr_tas_mp_comm dbcsr_tas_split Function

Create default cartesian process grid that is consistent with default split heuristic of dbcsr_tas_create_split \return new communicator

dbcsr_tas_mp_comm dbcsr_tas_split Interface
dbcsr_tas_mp_comm_from_matrix_sizes dbcsr_tas_split Function

Derive optimal cartesian process grid from matrix sizes. This ensures optimality for dense matrices only

dbcsr_tas_mp_dims dbcsr_tas_split Function

Get optimal process grid dimensions consistent with dbcsr_tas_create_split

dbcsr_tas_multiply dbcsr_tas_mm Subroutine

tall-and-skinny matrix-matrix multiplication. Undocumented dummy arguments are identical to arguments of dbcsr_multiply (see dbcsr_mm, dbcsr_multiply_generic).

dbcsr_tas_nblkcols_local dbcsr_tas_base Function
dbcsr_tas_nblkcols_total dbcsr_tas_base Function
dbcsr_tas_nblkrows_local dbcsr_tas_base Function
dbcsr_tas_nblkrows_total dbcsr_tas_base Function
dbcsr_tas_nfullcols_total dbcsr_tas_base Function
dbcsr_tas_nfullrows_total dbcsr_tas_base Function
dbcsr_tas_put_block dbcsr_tas_base Interface
dbcsr_tas_put_block dbcsr_tas_base Interface
dbcsr_tas_put_block_area dbcsr_tas_base Subroutine

As dbcsr_put_block

dbcsr_tas_put_block_c_dp dbcsr_tas_base Subroutine
dbcsr_tas_put_block_c_sp dbcsr_tas_base Subroutine
dbcsr_tas_put_block_r_dp dbcsr_tas_base Subroutine
dbcsr_tas_put_block_r_sp dbcsr_tas_base Subroutine
dbcsr_tas_random_bsizes dbcsr_tas_test Subroutine

Create random block sizes

dbcsr_tas_release_info dbcsr_tas_split Subroutine
dbcsr_tas_replicate dbcsr_tas_reshape_ops Subroutine

Replicate matrix_in such that each submatrix of matrix_out is an exact copy of matrix_in

dbcsr_tas_reserve_blocks dbcsr_tas_base Interface
dbcsr_tas_reserve_blocks_index dbcsr_tas_base Subroutine

As dbcsr_reserve_blocks

dbcsr_tas_reserve_blocks_template dbcsr_tas_base Subroutine

Make sure that matrix_out has same blocks reserved as matrix_in. This assumes that both matrices have same number of block rows and block columns.

dbcsr_tas_reset_randmat_seed dbcsr_tas_test Subroutine

Reset the seed used for generating random matrices to default value

dbcsr_tas_reshape dbcsr_tas_reshape_ops Subroutine

copy data (involves reshape)

dbcsr_tas_result_index dbcsr_tas_mm Subroutine

Estimate sparsity pattern of C resulting from A x B = C by multiplying the block norms of A and B Same dummy arguments as dbcsr_tas_multiply

dbcsr_tas_set dbcsr_tas_base Interface
dbcsr_tas_set_batched_state dbcsr_tas_mm Subroutine

set state flags during batched multiplication

dbcsr_tas_set_c_dp dbcsr_tas_base Subroutine

As dbcsr_set

dbcsr_tas_set_c_sp dbcsr_tas_base Subroutine

As dbcsr_set

dbcsr_tas_set_r_dp dbcsr_tas_base Subroutine

As dbcsr_set

dbcsr_tas_set_r_sp dbcsr_tas_base Subroutine

As dbcsr_set

dbcsr_tas_set_strict_split dbcsr_tas_split Subroutine

freeze current split factor such that it is never changed during multiplication

dbcsr_tas_setup_test_matrix dbcsr_tas_test Subroutine

Setup tall-and-skinny matrix for testing

dbcsr_tas_test_mm dbcsr_tas_test Subroutine

Test tall-and-skinny matrix multiplication for accuracy

dbcsr_tas_write_dist dbcsr_tas_io Subroutine

Write info on tall-and-skinny matrix distribution & load balance

dbcsr_tas_write_matrix_info dbcsr_tas_io Subroutine

Write basic infos of tall-and-skinny matrix: block dimensions, full dimensions, process grid dimensions

dbcsr_tas_write_split_info dbcsr_tas_io Subroutine

Print info on how matrix is split

dbcsr_test_read_args dbcsr_performance_driver Subroutine
dbcsr_test_scale_by_vectors dbcsr_test_scale_by_vector Function

Performs a variety of matrix multiplies of same matrices on different processor grids

dbcsr_to_csr_filter dbcsr_api Subroutine

Apply filtering threshold eps to DBCSR blocks in order to improve CSR sparsity (currently only used for testing purposes)

dbcsr_to_csr_filter dbcsr_csr_conversions Subroutine

Apply filtering threshold eps to DBCSR blocks in order to improve CSR sparsity (currently only used for testing purposes)

dbcsr_to_dense_local dbcsr_test_methods Subroutine

Convert a sparse matrix to a dense matrix

dbcsr_to_string dbcsr_log_handling Interface
dbcsr_trace dbcsr_api Interface
dbcsr_trace dbcsr_operations Interface
dbcsr_trace_c dbcsr_api Subroutine
dbcsr_trace_c dbcsr_operations Subroutine

traces a DBCSR matrix

dbcsr_trace_d dbcsr_api Subroutine
dbcsr_trace_d dbcsr_operations Subroutine

traces a DBCSR matrix

dbcsr_trace_s dbcsr_api Subroutine
dbcsr_trace_s dbcsr_operations Subroutine

traces a DBCSR matrix

dbcsr_trace_sd dbcsr_operations Subroutine

Trace of DBCSR matrices

dbcsr_trace_z dbcsr_api Subroutine
dbcsr_trace_z dbcsr_operations Subroutine

traces a DBCSR matrix

dbcsr_transpose_dims dbcsr_dist_operations Subroutine

Transposes a distribution but keeps the same mp_env

dbcsr_transpose_distribution dbcsr_dist_operations Subroutine

Transposes a distribution

dbcsr_transposed dbcsr_api Subroutine
dbcsr_transposed dbcsr_transformations Subroutine

Transposes a DBCSR matrix, keeping the same distribution

dbcsr_triu dbcsr_api Subroutine
dbcsr_triu dbcsr_operations Subroutine

triu of a dbcsr matrix

dbcsr_type_1d_to_2d dbcsr_data_methods_low Function

Returns 2-D data type corresponding to the given 1-D one. \return 2-D data type

dbcsr_type_2d_to_1d dbcsr_data_methods_low Function

Returns 1-d data type corresponding to the given 2-D one. \return 1-D data type

dbcsr_type_is_2d dbcsr_data_methods_low Function

Checks whether the data type is 2-D. \return Data type is 2-D.

dbcsr_unpack_i8_2i4 dbcsr_toollib Subroutine

Splits an array of int8 values into two int4 arrays.

dbcsr_unpack_meta dbcsr_dist_util Subroutine

Sets metadata form an array.

dbcsr_update_contiguous_blocks_c dbcsr_operations Subroutine

Low level function to sum contiguous chunks of blocks of the matrices (matrix_a = matrix_a + beta*matrix_b)

dbcsr_update_contiguous_blocks_d dbcsr_operations Subroutine

Low level function to sum contiguous chunks of blocks of the matrices (matrix_a = matrix_a + beta*matrix_b)

dbcsr_update_contiguous_blocks_s dbcsr_operations Subroutine

Low level function to sum contiguous chunks of blocks of the matrices (matrix_a = matrix_a + beta*matrix_b)

dbcsr_update_contiguous_blocks_z dbcsr_operations Subroutine

Low level function to sum contiguous chunks of blocks of the matrices (matrix_a = matrix_a + beta*matrix_b)

dbcsr_use_mutable dbcsr_methods Function

Returns whether work matrices should use the mutable data type

dbcsr_valid_index dbcsr_api Function
dbcsr_valid_index dbcsr_methods Function

Returns whether the index structure of the matrix is valid.

dbcsr_verify_matrix dbcsr_api Subroutine
dbcsr_verify_matrix dbcsr_dist_util Subroutine

Verify the correctness of a BCSR matrix.

dbcsr_warn dbcsr_base_hooks Subroutine

Issue a warning

dbcsr_warn_handler dbcsr_error_handling Subroutine

Signal a warning

dbcsr_warn_interface dbcsr_base_hooks Interface
dbcsr_win_create_any dbcsr_mp_operations Subroutine

Window initialization function of encapsulated data.

dbcsr_wm_use_mutable dbcsr_methods Function

Returns whether this work matrix uses the mutable type

dbcsr_work_create dbcsr_work_operations Subroutine

Creates a the working matrix(es) for a DBCSR matrix.

dbcsr_work_create dbcsr_api Subroutine
dbcsr_work_destroy dbcsr_work_operations Subroutine

Deallocates and destroys a work matrix.

dbcsr_work_destroy_all dbcsr_work_operations Subroutine

Deallocates and destroys a work matrix.

dbcsr_zero dbcsr_operations Subroutine

fill a dbcsr matrix with zeros

deallocate_stackbuffers dbcsr_mm_accdrv Subroutine

Helper routine used by setup_stackbuffers() and dbcsr_mm_accdrv_lib_finalize()

deallocate_streams dbcsr_mm_accdrv Subroutine

Helper routine used by setup_streams() and dbcsr_mm_accdrv_lib_finalize()

delay_non_master dbcsr_error_handling Subroutine

Delay non-master ranks/threads, used by dbcsr_abort_handler()

delete_preconnection dbcsr_files Subroutine

Remove an entry from the list of preconnected units

describe_mp_perf_env dbcsr_mpiwrap Subroutine
destroy_array_list dbcsr_array_list_methods Subroutine

destroy array list.

destroy_block dbcsr_tensor_block Subroutine

Destroy block

destroy_block_c_dp dbcsr_tensor_block Subroutine
destroy_block_c_sp dbcsr_tensor_block Subroutine
destroy_block_r_dp dbcsr_tensor_block Subroutine
destroy_block_r_sp dbcsr_tensor_block Subroutine
destroy_nd_to_2d_mapping dbcsr_tensor_index Subroutine
dev2host_c4_1D dbcsr_acc_devmem Subroutine

Transfers GPU devmem to 1D fortran-array.

dev2host_c8_1D dbcsr_acc_devmem Subroutine

Transfers GPU devmem to 1D fortran-array.

dev2host_i4_1D dbcsr_acc_devmem Subroutine

Transfers GPU devmem to 1D fortran-array.

dev2host_i8_1D dbcsr_acc_devmem Subroutine

Transfers GPU devmem to 1D fortran-array.

dev2host_r4_1D dbcsr_acc_devmem Subroutine

Transfers GPU devmem to 1D fortran-array.

dev2host_r8_1D dbcsr_acc_devmem Subroutine

Transfers GPU devmem to 1D fortran-array.

dict_destroy dbcsr_dict Interface
dict_get dbcsr_dict Interface
dict_haskey dbcsr_dict Interface
dict_i4tuple_callstat_destroy dbcsr_dict Subroutine

Deallocated the internal data-structures if the given dictionary. Caution: If the stored keys or values are pointers, their targets will not get deallocated by this routine.

dict_i4tuple_callstat_get dbcsr_dict Function

Gets a value for a given key from the dictionary. If the key is not found the default_value will be returned. If the key is not found and default_value was not provided the program stops.

dict_i4tuple_callstat_haskey dbcsr_dict Function

Checks whether a given key is currently stored in the dictionary.

dict_i4tuple_callstat_init dbcsr_dict Subroutine

Allocates the internal data-structures of the given dictionary.

dict_i4tuple_callstat_items dbcsr_dict Function

Returns a pointer to an array of all key/value-items stored in the dictionary. Caution: The caller is responsible for deallocating targeted array after usage.

dict_i4tuple_callstat_set dbcsr_dict Subroutine

Stores, and possibly overwrites, a given value under a given key.

dict_i4tuple_callstat_size dbcsr_dict Function

Returns the number of key/value-items currently stored in the dictionary.

dict_init dbcsr_dict Interface
dict_items dbcsr_dict Interface
dict_set dbcsr_dict Interface
dict_size dbcsr_dict Interface
dict_str_i4_destroy dbcsr_dict Subroutine

Deallocated the internal data-structures if the given dictionary. Caution: If the stored keys or values are pointers, their targets will not get deallocated by this routine.

dict_str_i4_get dbcsr_dict Function

Gets a value for a given key from the dictionary. If the key is not found the default_value will be returned. If the key is not found and default_value was not provided the program stops.

dict_str_i4_haskey dbcsr_dict Function

Checks whether a given key is currently stored in the dictionary.

dict_str_i4_init dbcsr_dict Subroutine

Allocates the internal data-structures of the given dictionary.

dict_str_i4_items dbcsr_dict Function

Returns a pointer to an array of all key/value-items stored in the dictionary. Caution: The caller is responsible for deallocating targeted array after usage.

dict_str_i4_set dbcsr_dict Subroutine

Stores, and possibly overwrites, a given value under a given key.

dict_str_i4_size dbcsr_dict Function

Returns the number of key/value-items currently stored in the dictionary.

dims_tensor dbcsr_tensor_types Subroutine

tensor dimensions

dist_compatible dbcsr_tas_mm Function

Check whether matrices have same distribution and same split.

dist_sparse_tensor_to_repl_dense_2d_array_r_dp dbcsr_tensor_test Subroutine

Transform a distributed sparse tensor to a replicated dense array. This is only useful for testing tensor contraction by matrix multiplication of dense arrays.

dist_sparse_tensor_to_repl_dense_3d_array_r_dp dbcsr_tensor_test Subroutine

Transform a distributed sparse tensor to a replicated dense array. This is only useful for testing tensor contraction by matrix multiplication of dense arrays.

dist_sparse_tensor_to_repl_dense_4d_array_r_dp dbcsr_tensor_test Subroutine

Transform a distributed sparse tensor to a replicated dense array. This is only useful for testing tensor contraction by matrix multiplication of dense arrays.

dist_sparse_tensor_to_repl_dense_array dbcsr_tensor_test Interface
distribute_lpt_random dbcsr_tas_global Subroutine

distribute nel elements with weights weights over nbin bins. load balanced distribution is obtained by using LPT algorithm together with randomization over equivalent bins (i.e. randomization over all bins with the smallest accumulated weight)

ensure_array_size dbcsr_ptr_util Interface
ensure_array_size_c dbcsr_ptr_util Subroutine

Ensures that an array is appropriately large.

ensure_array_size_d dbcsr_ptr_util Subroutine

Ensures that an array is appropriately large.

ensure_array_size_i dbcsr_ptr_util Subroutine

Ensures that an array is appropriately large.

ensure_array_size_l dbcsr_ptr_util Subroutine

Ensures that an array is appropriately large.

ensure_array_size_s dbcsr_ptr_util Subroutine

Ensures that an array is appropriately large.

ensure_array_size_z dbcsr_ptr_util Subroutine

Ensures that an array is appropriately large.

ensure_product_wm_cleared dbcsr_mm_sched Subroutine

Makes sure that the product_wm is cleared.

enumerate_blk_sizes dbcsr_mm_common Subroutine

Enumerate all occurring blocksizes

enumerate_block_elements dbcsr_tensor_test Subroutine

Enumerate tensor entries in block \blk_2 block values for 2 dimensions \blk_3 block values for 3 dimensions

f_dbcsr_timeset dbcsr_acc_timings Subroutine
f_dbcsr_timestop dbcsr_acc_timings Subroutine
factorial dbcsr_tensor_test Function

Compute factorial

file_exists dbcsr_files Function

Checks if file exists, considering also the file discovery mechanism.

fill_hash_tables dbcsr_mm_csr Subroutine

Fills row hashtable from an existing matrix.

find_all_local_elements dbcsr_dist_operations Subroutine

Finds the local virtual elements All elements are mapped at once. Therefore an entry in the resulting array can be used as a lookup index for any of the local element arrays. The distribution itself tells into which array to look.

find_block_of_element dbcsr_dist_util Subroutine

Finds block to which a full element belongs.

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find_cut_col dbcsr_mm_multrec Function
find_cut_row dbcsr_mm_multrec Function
find_first_valid_block dbcsr_iterator_operations Subroutine

Finds the first valid block, inclusive from the current position. If there is no valid block, pos is set to 0

find_proper_position dbcsr_iterator_operations Subroutine

Finds the next proper position accounting for threads First time: pos and row are set to 0. If there is no valid block, pos is set to 0

find_proper_position_caller dbcsr_iterator_operations Subroutine
find_proper_row dbcsr_iterator_operations Subroutine

Finds the row to which the current block belongs If there is no valid block, pos is set to 0

flush_stacks dbcsr_mm_csr Subroutine
frame_block_limit dbcsr_operations Subroutine

Determines the effect of limits on a block

gcd dbcsr_toollib Function
get_2d_indices_pgrid dbcsr_tensor_index Function

transform nd index to 2d index, using info from index mapping.

get_2d_indices_tensor dbcsr_tensor_index Function

transform nd index to 2d index, using info from index mapping.

get_accdrv_active_device_id dbcsr_config Function
get_array_elements dbcsr_array_list_methods Function

Get an element for each array.

get_arrays dbcsr_array_list_methods Subroutine

Get all arrays contained in list

get_data_2d_c dbcsr_data_methods_low Subroutine

Returns the single/double precision real/complex data

get_data_2d_d dbcsr_data_methods_low Subroutine

Returns the single/double precision real/complex data

get_data_2d_s dbcsr_data_methods_low Subroutine

Returns the single/double precision real/complex data

get_data_2d_z dbcsr_data_methods_low Subroutine

Returns the single/double precision real/complex data

get_data_c dbcsr_data_methods_low Subroutine

Returns the single/double precision real/complex data

get_data_d dbcsr_data_methods_low Subroutine

Returns the single/double precision real/complex data

get_data_s dbcsr_data_methods_low Subroutine

Returns the single/double precision real/complex data

get_data_z dbcsr_data_methods_low Subroutine

Returns the single/double precision real/complex data

get_internal_offsets dbcsr_dist_util Subroutine

Finds internal offsets For all local blocks in blk_local_els, it calculates its offset in the dense block to which it belongs.

get_ith_array dbcsr_array_list_methods Subroutine

get ith array

get_ith_array dbcsr_array_list_methods Interface
get_left_child dbcsr_min_heap Function
get_max_layers_3D dbcsr_mm_3d Function
get_mp_perf_env dbcsr_mpiwrap Function
get_nd_indices_pgrid dbcsr_tensor_index Function

transform 2d index to nd index, using info from index mapping.

get_nd_indices_tensor dbcsr_tensor_index Function

transform 2d index to nd index, using info from index mapping.

get_opt_nsplit dbcsr_tas_split Function

Heuristic to get good split factor for a given process grid OR a given number of processes \return split factor consistent with process grid or number of processes

get_parent dbcsr_min_heap Function
get_rank3D dbcsr_mm_3d Function

Return the rank of the 3D layer (3D communicator for C), Column-major order

get_stored_canonical dbcsr_dist_operations Subroutine

Canonical logic

get_timer_env dbcsr_timings Function

returns the current timer env from the stack

get_unit_number dbcsr_files Function

Returns the first logical unit that is not preconnected

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get_value dbcsr_min_heap Function
global_offsets_to_local dbcsr_dist_util Subroutine

Converts global offsets to local

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group_to_mrowcol dbcsr_tas_split Subroutine

maps a process subgroup to matrix rows/columns

group_to_world_proc_map dbcsr_tas_split Subroutine

map local process info to global info

has_mp_perf_env dbcsr_mpiwrap Function
hash_i4tuple dbcsr_dict Function
hash_str dbcsr_dict Function

This is joaat_hash from string_table.F, generates the hash of a given string

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hash_table_add dbcsr_mm_csr Subroutine

add a pair (c,p) to the hash table

hash_table_create dbcsr_mm_csr Subroutine

create a hash_table of given initial size. the hash table will expand as needed (but this requires rehashing)

hash_table_get dbcsr_mm_csr Function
hash_table_release dbcsr_mm_csr Subroutine
host2dev_c4_1D dbcsr_acc_devmem Subroutine

Transfers 1D fortran-array from host to GPU devmem.

host2dev_c4_2D dbcsr_acc_devmem Subroutine

Transfers 2D fortran-array from host to GPU devmem.

host2dev_c8_1D dbcsr_acc_devmem Subroutine

Transfers 1D fortran-array from host to GPU devmem.

host2dev_c8_2D dbcsr_acc_devmem Subroutine

Transfers 2D fortran-array from host to GPU devmem.

host2dev_i4_1D dbcsr_acc_devmem Subroutine

Transfers 1D fortran-array from host to GPU devmem.

host2dev_i4_2D dbcsr_acc_devmem Subroutine

Transfers 2D fortran-array from host to GPU devmem.

host2dev_i8_1D dbcsr_acc_devmem Subroutine

Transfers 1D fortran-array from host to GPU devmem.

host2dev_i8_2D dbcsr_acc_devmem Subroutine

Transfers 2D fortran-array from host to GPU devmem.

host2dev_r4_1D dbcsr_acc_devmem Subroutine

Transfers 1D fortran-array from host to GPU devmem.

host2dev_r4_2D dbcsr_acc_devmem Subroutine

Transfers 2D fortran-array from host to GPU devmem.

host2dev_r8_1D dbcsr_acc_devmem Subroutine

Transfers 1D fortran-array from host to GPU devmem.

host2dev_r8_2D dbcsr_acc_devmem Subroutine

Transfers 2D fortran-array from host to GPU devmem.

hybrid_alltoall_any dbcsr_mp_operations Subroutine
hybrid_alltoall_c1 dbcsr_mp_operations Subroutine

Row/column and global all-to-all

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hybrid_alltoall_d1 dbcsr_mp_operations Subroutine

Row/column and global all-to-all

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hybrid_alltoall_i1 dbcsr_mp_operations Subroutine

Row/column and global all-to-all

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hybrid_alltoall_s1 dbcsr_mp_operations Subroutine

Row/column and global all-to-all

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hybrid_alltoall_z1 dbcsr_mp_operations Subroutine

Row/column and global all-to-all

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i8_bsearch dbcsr_tas_split Function

binary search for 8-byte integers

image_calculator dbcsr_mm_dist_operations Subroutine

Transform between virtual process rows/columns and actual process rows/columns and images therein.

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index_linked_sort dbcsr_tensor Subroutine
index_unique dbcsr_tas_util Subroutine

Get all unique elements in index_in

integer_to_string dbcsr_string_utilities Function

Converts an integer number to a string. The WRITE statement will return an error message, if the number of digits of the integer number is larger the than the length of the supplied string.

internal_data_allocate dbcsr_data_methods_low Subroutine

Allocates pointers in the data type

internal_data_deallocate dbcsr_data_methods_low Subroutine

Allocates pointers in the data type

internal_mm_c_nn dbcsr_mm_hostdrv Subroutine
internal_mm_d_nn dbcsr_mm_hostdrv Subroutine
internal_mm_s_nn dbcsr_mm_hostdrv Subroutine
internal_mm_z_nn dbcsr_mm_hostdrv Subroutine
internal_process_mm_stack_c dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues internal MM calls.

internal_process_mm_stack_d dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues internal MM calls.

internal_process_mm_stack_s dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues internal MM calls.

internal_process_mm_stack_z dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues internal MM calls.

invert_transpose_flag dbcsr_tensor Subroutine
invert_transpose_flag dbcsr_tas_util Subroutine
iswap dbcsr_toollib Subroutine

Swaps two integers

iterator_advance dbcsr_iterator_operations Subroutine

Advances to the next block

iterator_next_1d_block_c dbcsr_iterator_operations Subroutine

Gets the next data block, single/double precision real/complex

iterator_next_1d_block_d dbcsr_iterator_operations Subroutine

Gets the next data block, single/double precision real/complex

iterator_next_1d_block_s dbcsr_iterator_operations Subroutine

Gets the next data block, single/double precision real/complex

iterator_next_1d_block_z dbcsr_iterator_operations Subroutine

Gets the next data block, single/double precision real/complex

iterator_next_2d_block_c dbcsr_iterator_operations Subroutine

Gets the next data block, single/double precision real/complex

iterator_next_2d_block_d dbcsr_iterator_operations Subroutine

Gets the next data block, single/double precision real/complex

iterator_next_2d_block_s dbcsr_iterator_operations Subroutine

Gets the next data block, single/double precision real/complex

iterator_next_2d_block_z dbcsr_iterator_operations Subroutine

Gets the next data block, single/double precision real/complex

iterator_next_area_block dbcsr_iterator_operations Subroutine

Gets the next data block encapsulated in an object.

iterator_next_block_index dbcsr_iterator_operations Subroutine

Gets the index information of the next block, no data.

joaat_hash dbcsr_toollib Function

generates the hash of a string and the index in the table

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lcm dbcsr_toollib Function
list_callstackentry_clear dbcsr_list_callstackentry Subroutine

Removes all values from the list. The list itself is not deallocated.

list_callstackentry_del dbcsr_list_callstackentry Subroutine

Removes the value at the given position from the list.

list_callstackentry_destroy dbcsr_list_callstackentry Subroutine

Deallocated the internal data-structures of the given list. Caution: If the stored values are pointers, their targets will not get deallocated by this routine.

list_callstackentry_get dbcsr_list_callstackentry Function

Returns the value at the given position from the list.

list_callstackentry_init dbcsr_list_callstackentry Subroutine

Allocates the internal data-structures of the given list. This has to be called before any of the other routines. For deallocation call list_[valuetype]_destroy.

list_callstackentry_insert dbcsr_list_callstackentry Subroutine

Inserts the given value at the given position within the list. Values which lay behind the insertion-position move one position up.

list_callstackentry_isready dbcsr_list_callstackentry Function

Test if the given list has been initialized.

list_callstackentry_peek dbcsr_list_callstackentry Function

Returns the last element in the list. Is equivalent to: list_callstackentry_get(list, list_callstackentry_size(list))

list_callstackentry_pop dbcsr_list_callstackentry Function

Returns the last element in the list and removes it. Is equivialent to: value = list_callstackentry_get(list, list_callstackentry_size(list)) call list_callstackentry_del(list, list_callstackentry_size(list))

list_callstackentry_push dbcsr_list_callstackentry Subroutine

Appends the given value at the end of the list.

list_callstackentry_set dbcsr_list_callstackentry Subroutine

Assings the given value to the given position in the list. Thereby, the former value at that position gets overwritten. If the position is out of bounds, the program stops.

list_callstackentry_size dbcsr_list_callstackentry Function

Returns the current size of the list.

list_clear dbcsr_list Interface
list_del dbcsr_list Interface
list_destroy dbcsr_list Interface
list_get dbcsr_list Interface
list_init dbcsr_list Interface
list_insert dbcsr_list Interface
list_isready dbcsr_list Interface
list_peek dbcsr_list Interface
list_pop dbcsr_list Interface
list_push dbcsr_list Interface
list_routinereport_clear dbcsr_list_routinereport Subroutine

Removes all values from the list. The list itself is not deallocated.

list_routinereport_del dbcsr_list_routinereport Subroutine

Removes the value at the given position from the list.

list_routinereport_destroy dbcsr_list_routinereport Subroutine

Deallocated the internal data-structures of the given list. Caution: If the stored values are pointers, their targets will not get deallocated by this routine.

list_routinereport_get dbcsr_list_routinereport Function

Returns the value at the given position from the list.

list_routinereport_init dbcsr_list_routinereport Subroutine

Allocates the internal data-structures of the given list. This has to be called before any of the other routines. For deallocation call list_[valuetype]_destroy.

list_routinereport_insert dbcsr_list_routinereport Subroutine

Inserts the given value at the given position within the list. Values which lay behind the insertion-position move one position up.

list_routinereport_isready dbcsr_list_routinereport Function

Test if the given list has been initialized.

list_routinereport_peek dbcsr_list_routinereport Function

Returns the last element in the list. Is equivalent to: list_routinereport_get(list, list_routinereport_size(list))

list_routinereport_pop dbcsr_list_routinereport Function

Returns the last element in the list and removes it. Is equivialent to: value = list_routinereport_get(list, list_routinereport_size(list)) call list_routinereport_del(list, list_routinereport_size(list))

list_routinereport_push dbcsr_list_routinereport Subroutine

Appends the given value at the end of the list.

list_routinereport_set dbcsr_list_routinereport Subroutine

Assings the given value to the given position in the list. Thereby, the former value at that position gets overwritten. If the position is out of bounds, the program stops.

list_routinereport_size dbcsr_list_routinereport Function

Returns the current size of the list.

list_routinestat_clear dbcsr_list_routinestat Subroutine

Removes all values from the list. The list itself is not deallocated.

list_routinestat_del dbcsr_list_routinestat Subroutine

Removes the value at the given position from the list.

list_routinestat_destroy dbcsr_list_routinestat Subroutine

Deallocated the internal data-structures of the given list. Caution: If the stored values are pointers, their targets will not get deallocated by this routine.

list_routinestat_get dbcsr_list_routinestat Function

Returns the value at the given position from the list.

list_routinestat_init dbcsr_list_routinestat Subroutine

Allocates the internal data-structures of the given list. This has to be called before any of the other routines. For deallocation call list_[valuetype]_destroy.

list_routinestat_insert dbcsr_list_routinestat Subroutine

Inserts the given value at the given position within the list. Values which lay behind the insertion-position move one position up.

list_routinestat_isready dbcsr_list_routinestat Function

Test if the given list has been initialized.

list_routinestat_peek dbcsr_list_routinestat Function

Returns the last element in the list. Is equivalent to: list_routinestat_get(list, list_routinestat_size(list))

list_routinestat_pop dbcsr_list_routinestat Function

Returns the last element in the list and removes it. Is equivialent to: value = list_routinestat_get(list, list_routinestat_size(list)) call list_routinestat_del(list, list_routinestat_size(list))

list_routinestat_push dbcsr_list_routinestat Subroutine

Appends the given value at the end of the list.

list_routinestat_set dbcsr_list_routinestat Subroutine

Assings the given value to the given position in the list. Thereby, the former value at that position gets overwritten. If the position is out of bounds, the program stops.

list_routinestat_size dbcsr_list_routinestat Function

Returns the current size of the list.

list_set dbcsr_list Interface
list_size dbcsr_list Interface
list_timerenv_clear dbcsr_list_timerenv Subroutine

Removes all values from the list. The list itself is not deallocated.

list_timerenv_del dbcsr_list_timerenv Subroutine

Removes the value at the given position from the list.

list_timerenv_destroy dbcsr_list_timerenv Subroutine

Deallocated the internal data-structures of the given list. Caution: If the stored values are pointers, their targets will not get deallocated by this routine.

list_timerenv_get dbcsr_list_timerenv Function

Returns the value at the given position from the list.

list_timerenv_init dbcsr_list_timerenv Subroutine

Allocates the internal data-structures of the given list. This has to be called before any of the other routines. For deallocation call list_[valuetype]_destroy.

list_timerenv_insert dbcsr_list_timerenv Subroutine

Inserts the given value at the given position within the list. Values which lay behind the insertion-position move one position up.

list_timerenv_isready dbcsr_list_timerenv Function

Test if the given list has been initialized.

list_timerenv_peek dbcsr_list_timerenv Function

Returns the last element in the list. Is equivalent to: list_timerenv_get(list, list_timerenv_size(list))

list_timerenv_pop dbcsr_list_timerenv Function

Returns the last element in the list and removes it. Is equivialent to: value = list_timerenv_get(list, list_timerenv_size(list)) call list_timerenv_del(list, list_timerenv_size(list))

list_timerenv_push dbcsr_list_timerenv Subroutine

Appends the given value at the end of the list.

list_timerenv_set dbcsr_list_timerenv Subroutine

Assings the given value to the given position in the list. Thereby, the former value at that position gets overwritten. If the position is out of bounds, the program stops.

list_timerenv_size dbcsr_list_timerenv Function

Returns the current size of the list.

local_filter dbcsr_mm_common Subroutine

Gathers the local elements from all data (full_data)

local_filter_sp dbcsr_mm_multrec Subroutine

Gathers the local elements from all data (full_data) for single precision elements.

m_abort dbcsr_machine_internal Subroutine

Can be used to get a nice core

m_chdir dbcsr_machine_internal Subroutine
m_cpuinfo dbcsr_machine Subroutine

reads /proc/cpuinfo if it exists (i.e. Linux) to return relevant info

m_datum dbcsr_machine Subroutine

returns a datum in human readable format using a standard Fortran routine

m_energy dbcsr_machine Function

returns the energy used since some time in the past. The precise meaning depends on the infrastructure is available. In the cray_pm_energy case, this is the energy used by the node in kJ.

m_flush dbcsr_machine_internal Subroutine

Flush a given unit

m_flush dbcsr_machine Subroutine

flushes units if the &GLOBAL flag is set accordingly

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m_getarg dbcsr_machine_internal Subroutine
m_getcwd dbcsr_machine_internal Subroutine
m_getlog dbcsr_machine_internal Subroutine
m_getpid dbcsr_machine_internal Subroutine
m_getuid dbcsr_machine_internal Subroutine
m_hostnm dbcsr_machine_internal Subroutine
m_iargc dbcsr_machine_internal Function

The number of arguments of the fortran program

m_memory dbcsr_machine_internal Subroutine

Returns the total amount of memory [bytes] in use, if known, zero otherwise

m_memory_details dbcsr_machine_internal Subroutine
m_mov dbcsr_machine_internal Subroutine
m_procrun dbcsr_machine_internal Function

Returns if a process is running on the local machine 1 if yes and 0 if not

m_walltime dbcsr_machine Function

returns time from a real-time clock, protected against rolling early/easily

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make_buffers dbcsr_mm_3d Subroutine

Prepare orig images for MPI windows

make_conformant_scalar_c dbcsr_operations Function

Encapsulates a given scalar value and makes it conform with the type of the matrix.

make_conformant_scalar_d dbcsr_operations Function

Encapsulates a given scalar value and makes it conform with the type of the matrix.

make_conformant_scalar_s dbcsr_operations Function

Encapsulates a given scalar value and makes it conform with the type of the matrix.

make_conformant_scalar_z dbcsr_operations Function

Encapsulates a given scalar value and makes it conform with the type of the matrix.

make_coordinate_tuple dbcsr_toollib Function
make_dense_data dbcsr_transformations Subroutine

Shuffles the data from blocked to standard dense form

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make_dense_index dbcsr_index_operations Subroutine

Makes the index for a dense matrix

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make_images dbcsr_mm_cannon Subroutine

Makes column-based and row-based images of a matrix.

make_index_canonical dbcsr_index_operations Subroutine

Makes a canonical index given the index arrays

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make_index_triangular dbcsr_index_operations Subroutine

Makes a CP2K triangular index given the index arrays

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make_layers_3D_AB dbcsr_mm_3d Subroutine

Make communicators for A and B matrices

make_layers_3D_C_reduction dbcsr_mm_3d Subroutine

Make communicators for 3D layers for C-reduction

make_m2s dbcsr_mm_cannon Subroutine

Make images from the matrix (left or right)

make_meta dbcsr_mm_3d Subroutine

Create meta indices

make_random_dbcsr_matrix dbcsr_test_csr_conversions Subroutine

Create a DBCSR matrix with random values and random blocks

make_sizes_dense dbcsr_mm_dist_operations Subroutine

Matches row/block sizes and offsets to a given distribution

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make_threads dbcsr_dist_methods Subroutine

Creates a distribution for threads

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make_undense_data dbcsr_transformations Subroutine

Shuffles the data from standard dense to blocked form

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make_undense_index dbcsr_index_operations Subroutine

Makes a blocked index from a dense matrix

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make_vdistribution dbcsr_mm_dist_operations Subroutine

Makes new virtual distribution of rows/columns.

map_all_local_elements dbcsr_mm_dist_operations Subroutine

Points to local virtual elements. All elements are mapped at once. Therefore an entry in the resulting array can be used as a lookup index for any of the local element arrays. The distribution itself tells into which array to look.

map_most_common dbcsr_dist_util Subroutine

Makes a lookup table from the most common elements.

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matching_prime dbcsr_mm_csr Function

finds a prime equal or larger than i, needed at creation

mem_alloc_c dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_c_2d dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_d dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_d_2d dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_i dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_i_2d dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_l dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_l_2d dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_s dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_s_2d dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_z dbcsr_ptr_util Subroutine

Allocates memory

mem_alloc_z_2d dbcsr_ptr_util Subroutine

Allocates memory

mem_copy_c dbcsr_ptr_util Subroutine

Copies memory area

mem_copy_d dbcsr_ptr_util Subroutine

Copies memory area

mem_copy_i dbcsr_ptr_util Subroutine

Copies memory area

mem_copy_l dbcsr_ptr_util Subroutine

Copies memory area

mem_copy_s dbcsr_ptr_util Subroutine

Copies memory area

mem_copy_z dbcsr_ptr_util Subroutine

Copies memory area

mem_dealloc_c dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_c_2d dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_d dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_d_2d dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_i dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_i_2d dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_l dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_l_2d dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_s dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_s_2d dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_z dbcsr_ptr_util Subroutine

Deallocates memory

mem_dealloc_z_2d dbcsr_ptr_util Subroutine

Deallocates memory

mem_zero_c dbcsr_ptr_util Subroutine

Zeros memory area

mem_zero_d dbcsr_ptr_util Subroutine

Zeros memory area

mem_zero_i dbcsr_ptr_util Subroutine

Zeros memory area

mem_zero_l dbcsr_ptr_util Subroutine

Zeros memory area

mem_zero_s dbcsr_ptr_util Subroutine

Zeros memory area

mem_zero_z dbcsr_ptr_util Subroutine

Zeros memory area

memory_allocate dbcsr_ptr_util Interface
memory_copy dbcsr_ptr_util Interface
memory_deallocate dbcsr_ptr_util Interface
memory_zero dbcsr_ptr_util Interface
mempool_collect_garbage dbcsr_mem_methods Subroutine

Ensures that pool_size < max_size, e.g. that there is a free slot.

merge_index dbcsr_work_operations Subroutine

Builds a new index from several work matrices.

merge_index_arrays dbcsr_index_operations Subroutine

Merges two indices

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meta_from_dist dbcsr_dist_util Subroutine

Fills meta information from a given distribution_2d

mostly_non_transposed dbcsr_dist_operations Function

Determines whether most blocks are stored transposed in normally.

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mp_abort dbcsr_mpiwrap Subroutine

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

mp_allgather dbcsr_mpiwrap Interface

move allgatherv to a separate declaration

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mp_allgather_c dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_c12 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgather_c2 dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_c22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_allgather_c23 dbcsr_mpiwrap Subroutine

Gathers matrix data from all processes and all processes receive the same data

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mp_allgather_c34 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_allgather_d dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_d12 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgather_d2 dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_d22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_allgather_d23 dbcsr_mpiwrap Subroutine

Gathers matrix data from all processes and all processes receive the same data

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mp_allgather_d34 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_allgather_i dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_i12 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgather_i2 dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_i22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_allgather_i23 dbcsr_mpiwrap Subroutine

Gathers matrix data from all processes and all processes receive the same data

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mp_allgather_i34 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_allgather_l dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_l12 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgather_l2 dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_l22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_allgather_l23 dbcsr_mpiwrap Subroutine

Gathers matrix data from all processes and all processes receive the same data

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mp_allgather_l34 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_allgather_r dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_r12 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgather_r2 dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_r22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_allgather_r23 dbcsr_mpiwrap Subroutine

Gathers matrix data from all processes and all processes receive the same data

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mp_allgather_r34 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_allgather_z dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_z12 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgather_z2 dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_allgather_z22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_allgather_z23 dbcsr_mpiwrap Subroutine

Gathers matrix data from all processes and all processes receive the same data

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mp_allgather_z34 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_allgatherv_cv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgatherv_dv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgatherv_iv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgatherv_lv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgatherv_rv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allgatherv_zv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_allocate dbcsr_mpiwrap Interface
mp_allocate_c dbcsr_mpiwrap Subroutine

Allocates special parallel memory

mp_allocate_d dbcsr_mpiwrap Subroutine

Allocates special parallel memory

mp_allocate_i dbcsr_mpiwrap Subroutine

Allocates special parallel memory

mp_allocate_l dbcsr_mpiwrap Subroutine

Allocates special parallel memory

mp_allocate_r dbcsr_mpiwrap Subroutine

Allocates special parallel memory

mp_allocate_z dbcsr_mpiwrap Subroutine

Allocates special parallel memory

mp_alltoall dbcsr_mpiwrap Interface
mp_alltoall_c dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 1 arrays, equal sizes

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mp_alltoall_c11v dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-1 data of different sizes

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mp_alltoall_c22 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-2 arrays, equal sizes

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mp_alltoall_c44 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 4 data, equal sizes

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mp_alltoall_d dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 1 arrays, equal sizes

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mp_alltoall_d11v dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-1 data of different sizes

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mp_alltoall_d22 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-2 arrays, equal sizes

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mp_alltoall_d44 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 4 data, equal sizes

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mp_alltoall_i dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 1 arrays, equal sizes

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mp_alltoall_i11v dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-1 data of different sizes

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mp_alltoall_i22 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-2 arrays, equal sizes

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mp_alltoall_i44 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 4 data, equal sizes

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mp_alltoall_l dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 1 arrays, equal sizes

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mp_alltoall_l11v dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-1 data of different sizes

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mp_alltoall_l22 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-2 arrays, equal sizes

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mp_alltoall_l44 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 4 data, equal sizes

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mp_alltoall_r dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 1 arrays, equal sizes

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mp_alltoall_r11v dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-1 data of different sizes

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mp_alltoall_r22 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-2 arrays, equal sizes

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mp_alltoall_r44 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 4 data, equal sizes

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mp_alltoall_z dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 1 arrays, equal sizes

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mp_alltoall_z11v dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-1 data of different sizes

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mp_alltoall_z22 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank-2 arrays, equal sizes

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mp_alltoall_z44 dbcsr_mpiwrap Subroutine

All-to-all data exchange, rank 4 data, equal sizes

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mp_bcast dbcsr_mpiwrap Interface
mp_bcast_am dbcsr_mpiwrap Subroutine
mp_bcast_av dbcsr_mpiwrap Subroutine
mp_bcast_b dbcsr_mpiwrap Subroutine
mp_bcast_bv dbcsr_mpiwrap Subroutine
mp_bcast_c dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_bcast_c3 dbcsr_mpiwrap Subroutine

Broadcasts rank-3 data to all processes

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mp_bcast_cm dbcsr_mpiwrap Subroutine

Broadcasts rank-2 data to all processes

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mp_bcast_cv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_bcast_d dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_bcast_d3 dbcsr_mpiwrap Subroutine

Broadcasts rank-3 data to all processes

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mp_bcast_dm dbcsr_mpiwrap Subroutine

Broadcasts rank-2 data to all processes

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mp_bcast_dv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_bcast_i dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_bcast_i3 dbcsr_mpiwrap Subroutine

Broadcasts rank-3 data to all processes

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mp_bcast_im dbcsr_mpiwrap Subroutine

Broadcasts rank-2 data to all processes

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mp_bcast_iv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_bcast_l dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_bcast_l3 dbcsr_mpiwrap Subroutine

Broadcasts rank-3 data to all processes

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mp_bcast_lm dbcsr_mpiwrap Subroutine

Broadcasts rank-2 data to all processes

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mp_bcast_lv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_bcast_r dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_bcast_r3 dbcsr_mpiwrap Subroutine

Broadcasts rank-3 data to all processes

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mp_bcast_rm dbcsr_mpiwrap Subroutine

Broadcasts rank-2 data to all processes

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mp_bcast_rv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_bcast_z dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_bcast_z3 dbcsr_mpiwrap Subroutine

Broadcasts rank-3 data to all processes

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mp_bcast_zm dbcsr_mpiwrap Subroutine

Broadcasts rank-2 data to all processes

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mp_bcast_zv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_cart_coords dbcsr_mpiwrap Subroutine
mp_cart_create dbcsr_mpiwrap Subroutine
mp_cart_rank dbcsr_mpiwrap Subroutine
mp_cart_sub dbcsr_mpiwrap Subroutine
mp_comm_compare dbcsr_mpiwrap Subroutine
mp_comm_dup dbcsr_mpiwrap Subroutine
mp_comm_free dbcsr_mpiwrap Subroutine
mp_comm_op_eq dbcsr_mpiwrap Function
mp_comm_op_ne dbcsr_mpiwrap Function
mp_comm_split dbcsr_mpiwrap Subroutine

splits the given communicator in group in subgroups trying to organize them in a way that the communication within each subgroup is efficient (but not necessarily the communication between subgroups)

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mp_comm_split_direct dbcsr_mpiwrap Subroutine

the direct way to split a communicator each color is a sub_comm, the rank order is accoring to the order in the orig comm

mp_deallocate dbcsr_mpiwrap Interface
mp_deallocate_c dbcsr_mpiwrap Subroutine

Deallocates special parallel memory

mp_deallocate_d dbcsr_mpiwrap Subroutine

Deallocates special parallel memory

mp_deallocate_i dbcsr_mpiwrap Subroutine

Deallocates special parallel memory

mp_deallocate_l dbcsr_mpiwrap Subroutine

Deallocates special parallel memory

mp_deallocate_r dbcsr_mpiwrap Subroutine

Deallocates special parallel memory

mp_deallocate_z dbcsr_mpiwrap Subroutine

Deallocates special parallel memory

mp_dims_create dbcsr_mpiwrap Subroutine
mp_environ dbcsr_mpiwrap Interface
mp_environ_c dbcsr_mpiwrap Subroutine
mp_environ_c2 dbcsr_mpiwrap Subroutine
mp_environ_l dbcsr_mpiwrap Subroutine

returns number of tasks and task id for a given mpi group simple and cartesian version.. recursive needed in case of failing mpi_comm_rank.

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mp_environ_pgrid dbcsr_tensor_types Subroutine

as mp_environ but for special pgrid type

mp_file_close dbcsr_mpiwrap Subroutine

Closes a file

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mp_file_delete dbcsr_mpiwrap Subroutine

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

mp_file_get_position dbcsr_mpiwrap Subroutine

Returns the file position

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mp_file_get_size dbcsr_mpiwrap Subroutine

Returns the file size

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mp_file_op_eq dbcsr_mpiwrap Function
mp_file_op_ne dbcsr_mpiwrap Function
mp_file_open dbcsr_mpiwrap Subroutine

Opens a file

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mp_file_read_at_all dbcsr_mpiwrap Interface
mp_file_read_at_all_c dbcsr_mpiwrap Subroutine
mp_file_read_at_all_ch dbcsr_mpiwrap Subroutine
mp_file_read_at_all_cv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file read using explicit offsets (serial) Unformatted stream read

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mp_file_read_at_all_d dbcsr_mpiwrap Subroutine
mp_file_read_at_all_dv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file read using explicit offsets (serial) Unformatted stream read

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mp_file_read_at_all_i dbcsr_mpiwrap Subroutine
mp_file_read_at_all_iv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file read using explicit offsets (serial) Unformatted stream read

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mp_file_read_at_all_l dbcsr_mpiwrap Subroutine
mp_file_read_at_all_lv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file read using explicit offsets (serial) Unformatted stream read

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mp_file_read_at_all_r dbcsr_mpiwrap Subroutine
mp_file_read_at_all_rv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file read using explicit offsets (serial) Unformatted stream read

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mp_file_read_at_all_z dbcsr_mpiwrap Subroutine
mp_file_read_at_all_zv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file read using explicit offsets (serial) Unformatted stream read

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mp_file_write_at dbcsr_mpiwrap Interface
mp_file_write_at_all dbcsr_mpiwrap Interface
mp_file_write_at_all_c dbcsr_mpiwrap Subroutine
mp_file_write_at_all_ch dbcsr_mpiwrap Subroutine
mp_file_write_at_all_cv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_all_d dbcsr_mpiwrap Subroutine
mp_file_write_at_all_dv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_all_i dbcsr_mpiwrap Subroutine
mp_file_write_at_all_iv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_all_l dbcsr_mpiwrap Subroutine
mp_file_write_at_all_lv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_all_r dbcsr_mpiwrap Subroutine
mp_file_write_at_all_rv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_all_z dbcsr_mpiwrap Subroutine
mp_file_write_at_all_zv dbcsr_mpiwrap Subroutine

(parallel) Blocking collective file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_c dbcsr_mpiwrap Subroutine
mp_file_write_at_ch dbcsr_mpiwrap Subroutine
mp_file_write_at_cv dbcsr_mpiwrap Subroutine

(parallel) Blocking individual file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_d dbcsr_mpiwrap Subroutine
mp_file_write_at_dv dbcsr_mpiwrap Subroutine

(parallel) Blocking individual file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_i dbcsr_mpiwrap Subroutine
mp_file_write_at_iv dbcsr_mpiwrap Subroutine

(parallel) Blocking individual file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_l dbcsr_mpiwrap Subroutine
mp_file_write_at_lv dbcsr_mpiwrap Subroutine

(parallel) Blocking individual file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_r dbcsr_mpiwrap Subroutine
mp_file_write_at_rv dbcsr_mpiwrap Subroutine

(parallel) Blocking individual file write using explicit offsets (serial) Unformatted stream write

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mp_file_write_at_z dbcsr_mpiwrap Subroutine
mp_file_write_at_zv dbcsr_mpiwrap Subroutine

(parallel) Blocking individual file write using explicit offsets (serial) Unformatted stream write

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mp_gather dbcsr_mpiwrap Interface
mp_gather_c dbcsr_mpiwrap Subroutine

Gathers a datum from all processes to one

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mp_gather_cm dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_cv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_d dbcsr_mpiwrap Subroutine

Gathers a datum from all processes to one

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mp_gather_dm dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_dv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_i dbcsr_mpiwrap Subroutine

Gathers a datum from all processes to one

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mp_gather_im dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_iv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_l dbcsr_mpiwrap Subroutine

Gathers a datum from all processes to one

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mp_gather_lm dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_lv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_r dbcsr_mpiwrap Subroutine

Gathers a datum from all processes to one

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mp_gather_rm dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_rv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_z dbcsr_mpiwrap Subroutine

Gathers a datum from all processes to one

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mp_gather_zm dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gather_zv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one

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mp_gatherv dbcsr_mpiwrap Interface
mp_gatherv_cv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one.

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mp_gatherv_dv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one.

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mp_gatherv_iv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one.

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mp_gatherv_lv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one.

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mp_gatherv_rv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one.

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mp_gatherv_zv dbcsr_mpiwrap Subroutine

Gathers data from all processes to one.

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mp_get_comm_count dbcsr_mpiwrap Function

Return the current number of communicators

mp_get_comm_handle dbcsr_mpiwrap Function
mp_get_file_handle dbcsr_mpiwrap Function
mp_get_info_handle dbcsr_mpiwrap Function
mp_get_library_version dbcsr_mpiwrap Subroutine

Get Version of the MPI Library (MPI 3)

mp_get_processor_name dbcsr_mpiwrap Subroutine

Get a unique specifier for the actual (as opposed to virtual) node (MPI 2.1)

mp_get_request_handle dbcsr_mpiwrap Function
mp_get_win_handle dbcsr_mpiwrap Function
mp_iallgather dbcsr_mpiwrap Interface
mp_iallgather_c dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_iallgather_c11 dbcsr_mpiwrap Subroutine

Gathers rank-1 data from all processes and all processes receive the same data

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mp_iallgather_c13 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_c22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_c24 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_c33 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_iallgather_d dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_iallgather_d11 dbcsr_mpiwrap Subroutine

Gathers rank-1 data from all processes and all processes receive the same data

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mp_iallgather_d13 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_d22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_d24 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_d33 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_iallgather_i dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_iallgather_i11 dbcsr_mpiwrap Subroutine

Gathers rank-1 data from all processes and all processes receive the same data

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mp_iallgather_i13 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_i22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_i24 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_i33 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_iallgather_l dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_iallgather_l11 dbcsr_mpiwrap Subroutine

Gathers rank-1 data from all processes and all processes receive the same data

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mp_iallgather_l13 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_l22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_l24 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_l33 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_iallgather_r dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_iallgather_r11 dbcsr_mpiwrap Subroutine

Gathers rank-1 data from all processes and all processes receive the same data

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mp_iallgather_r13 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_r22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_r24 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_r33 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_iallgather_z dbcsr_mpiwrap Subroutine

Gathers a datum from all processes and all processes receive the same data

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mp_iallgather_z11 dbcsr_mpiwrap Subroutine

Gathers rank-1 data from all processes and all processes receive the same data

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mp_iallgather_z13 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_z22 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_z24 dbcsr_mpiwrap Subroutine

Gathers rank-2 data from all processes and all processes receive the same data

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mp_iallgather_z33 dbcsr_mpiwrap Subroutine

Gathers rank-3 data from all processes and all processes receive the same data

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mp_iallgatherv_cv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_cv2 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_dv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_dv2 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_iv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_iv2 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_lv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_lv2 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_rv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_rv2 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_zv dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_iallgatherv_zv2 dbcsr_mpiwrap Subroutine

Gathers vector data from all processes and all processes receive the same data

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mp_ibcast dbcsr_mpiwrap Interface
mp_ibcast_c dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_ibcast_cv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_ibcast_d dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_ibcast_dv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_ibcast_i dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_ibcast_iv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_ibcast_l dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_ibcast_lv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_ibcast_r dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_ibcast_rv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_ibcast_z dbcsr_mpiwrap Subroutine

Broadcasts a datum to all processes.

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mp_ibcast_zv dbcsr_mpiwrap Subroutine

Broadcasts rank-1 data to all processes

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mp_info_op_eq dbcsr_mpiwrap Function
mp_info_op_ne dbcsr_mpiwrap Function
mp_irecv dbcsr_mpiwrap Interface
mp_irecv_bv dbcsr_mpiwrap Subroutine

Non-blocking receive of logical vector data

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mp_irecv_cm2 dbcsr_mpiwrap Subroutine

Non-blocking receive of matrix data

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mp_irecv_custom dbcsr_mpiwrap Subroutine

Non-blocking receive of vector data

mp_irecv_cv dbcsr_mpiwrap Subroutine

Non-blocking receive of vector data

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mp_irecv_dm2 dbcsr_mpiwrap Subroutine

Non-blocking receive of matrix data

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mp_irecv_dv dbcsr_mpiwrap Subroutine

Non-blocking receive of vector data

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mp_irecv_im2 dbcsr_mpiwrap Subroutine

Non-blocking receive of matrix data

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mp_irecv_iv dbcsr_mpiwrap Subroutine

Non-blocking receive of vector data

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mp_irecv_lm2 dbcsr_mpiwrap Subroutine

Non-blocking receive of matrix data

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mp_irecv_lv dbcsr_mpiwrap Subroutine

Non-blocking receive of vector data

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mp_irecv_rm2 dbcsr_mpiwrap Subroutine

Non-blocking receive of matrix data

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mp_irecv_rv dbcsr_mpiwrap Subroutine

Non-blocking receive of vector data

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mp_irecv_zm2 dbcsr_mpiwrap Subroutine

Non-blocking receive of matrix data

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mp_irecv_zv dbcsr_mpiwrap Subroutine

Non-blocking receive of vector data

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mp_iscatter dbcsr_mpiwrap Interface
mp_iscatter_c dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_cv2 dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_d dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_dv2 dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_i dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_iv2 dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_l dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_lv2 dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_r dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_rv2 dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_z dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatter_zv2 dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatterv_cv dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatterv_dv dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatterv_iv dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatterv_lv dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatterv_rv dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_iscatterv_zv dbcsr_mpiwrap Subroutine

Scatters data from one processes to all others

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mp_isend dbcsr_mpiwrap Interface
mp_isend_bv dbcsr_mpiwrap Subroutine

Non-blocking send of logical vector data

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mp_isend_cm2 dbcsr_mpiwrap Subroutine

Non-blocking send of matrix data

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mp_isend_custom dbcsr_mpiwrap Subroutine

Non-blocking send of custom type

mp_isend_cv dbcsr_mpiwrap Subroutine

Non-blocking send of vector data

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mp_isend_dm2 dbcsr_mpiwrap Subroutine

Non-blocking send of matrix data

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mp_isend_dv dbcsr_mpiwrap Subroutine

Non-blocking send of vector data

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mp_isend_im2 dbcsr_mpiwrap Subroutine

Non-blocking send of matrix data

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mp_isend_iv dbcsr_mpiwrap Subroutine

Non-blocking send of vector data

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mp_isend_lm2 dbcsr_mpiwrap Subroutine

Non-blocking send of matrix data

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mp_isend_lv dbcsr_mpiwrap Subroutine

Non-blocking send of vector data

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mp_isend_rm2 dbcsr_mpiwrap Subroutine

Non-blocking send of matrix data

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mp_isend_rv dbcsr_mpiwrap Subroutine

Non-blocking send of vector data

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mp_isend_zm2 dbcsr_mpiwrap Subroutine

Non-blocking send of matrix data

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mp_isend_zv dbcsr_mpiwrap Subroutine

Non-blocking send of vector data

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mp_isendrecv dbcsr_mpiwrap Interface
mp_isendrecv_c dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a scalar

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mp_isendrecv_cv dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a vector

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mp_isendrecv_d dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a scalar

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mp_isendrecv_dv dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a vector

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mp_isendrecv_i dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a scalar

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mp_isendrecv_iv dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a vector

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mp_isendrecv_l dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a scalar

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mp_isendrecv_lv dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a vector

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mp_isendrecv_r dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a scalar

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mp_isendrecv_rv dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a vector

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mp_isendrecv_z dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a scalar

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mp_isendrecv_zv dbcsr_mpiwrap Subroutine

Non-blocking send and receive of a vector

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mp_isum dbcsr_mpiwrap Interface
mp_isum_bv dbcsr_mpiwrap Subroutine

Logical OR reduction

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mp_isum_cv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_isum_dv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_isum_iv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_isum_lv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_isum_rv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_isum_zv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_isync dbcsr_mpiwrap Subroutine

synchronizes with a barrier a given group of mpi tasks

mp_max dbcsr_mpiwrap Interface
mp_max_c dbcsr_mpiwrap Subroutine

Finds the maximum of a datum with the result left on all processes.

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mp_max_cv dbcsr_mpiwrap Subroutine

Finds the element-wise maximum of a vector with the result left on all processes.

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mp_max_d dbcsr_mpiwrap Subroutine

Finds the maximum of a datum with the result left on all processes.

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mp_max_dv dbcsr_mpiwrap Subroutine

Finds the element-wise maximum of a vector with the result left on all processes.

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mp_max_i dbcsr_mpiwrap Subroutine

Finds the maximum of a datum with the result left on all processes.

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mp_max_iv dbcsr_mpiwrap Subroutine

Finds the element-wise maximum of a vector with the result left on all processes.

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mp_max_l dbcsr_mpiwrap Subroutine

Finds the maximum of a datum with the result left on all processes.

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mp_max_lv dbcsr_mpiwrap Subroutine

Finds the element-wise maximum of a vector with the result left on all processes.

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mp_max_r dbcsr_mpiwrap Subroutine

Finds the maximum of a datum with the result left on all processes.

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mp_max_rv dbcsr_mpiwrap Subroutine

Finds the element-wise maximum of a vector with the result left on all processes.

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mp_max_z dbcsr_mpiwrap Subroutine

Finds the maximum of a datum with the result left on all processes.

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mp_max_zv dbcsr_mpiwrap Subroutine

Finds the element-wise maximum of a vector with the result left on all processes.

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mp_maxloc dbcsr_mpiwrap Interface
mp_maxloc_dv dbcsr_mpiwrap Subroutine

Finds the location of the maximal element in a vector.

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mp_min dbcsr_mpiwrap Interface
mp_min_c dbcsr_mpiwrap Subroutine

Finds the minimum of a datum with the result left on all processes.

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mp_min_cv dbcsr_mpiwrap Subroutine

Finds the element-wise minimum of vector with the result left on all processes.

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mp_min_d dbcsr_mpiwrap Subroutine

Finds the minimum of a datum with the result left on all processes.

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mp_min_dv dbcsr_mpiwrap Subroutine

Finds the element-wise minimum of vector with the result left on all processes.

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mp_min_i dbcsr_mpiwrap Subroutine

Finds the minimum of a datum with the result left on all processes.

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mp_min_iv dbcsr_mpiwrap Subroutine

Finds the element-wise minimum of vector with the result left on all processes.

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mp_min_l dbcsr_mpiwrap Subroutine

Finds the minimum of a datum with the result left on all processes.

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mp_min_lv dbcsr_mpiwrap Subroutine

Finds the element-wise minimum of vector with the result left on all processes.

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mp_min_r dbcsr_mpiwrap Subroutine

Finds the minimum of a datum with the result left on all processes.

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mp_min_rv dbcsr_mpiwrap Subroutine

Finds the element-wise minimum of vector with the result left on all processes.

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mp_min_z dbcsr_mpiwrap Subroutine

Finds the minimum of a datum with the result left on all processes.

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mp_min_zv dbcsr_mpiwrap Subroutine

Finds the element-wise minimum of vector with the result left on all processes.

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mp_minloc dbcsr_mpiwrap Interface
mp_minloc_dv dbcsr_mpiwrap Subroutine

Finds the location of the minimal element in a vector.

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mp_perf_env_create dbcsr_mpiwrap Subroutine
mp_perf_env_describe dbcsr_mpiwrap Subroutine
mp_perf_env_release dbcsr_mpiwrap Subroutine
mp_perf_env_retain dbcsr_mpiwrap Subroutine
mp_probe dbcsr_mpiwrap Subroutine

probes for an incoming message with any tag

mp_prod dbcsr_mpiwrap Interface
mp_prod_c dbcsr_mpiwrap Subroutine

Multiplies a set of numbers scattered across a number of processes, then replicates the result.

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mp_prod_d dbcsr_mpiwrap Subroutine

Multiplies a set of numbers scattered across a number of processes, then replicates the result.

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mp_prod_i dbcsr_mpiwrap Subroutine

Multiplies a set of numbers scattered across a number of processes, then replicates the result.

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mp_prod_l dbcsr_mpiwrap Subroutine

Multiplies a set of numbers scattered across a number of processes, then replicates the result.

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mp_prod_r dbcsr_mpiwrap Subroutine

Multiplies a set of numbers scattered across a number of processes, then replicates the result.

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mp_prod_z dbcsr_mpiwrap Subroutine

Multiplies a set of numbers scattered across a number of processes, then replicates the result.

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mp_rank_compare dbcsr_mpiwrap Subroutine
mp_recv dbcsr_mpiwrap Interface
mp_recv_c dbcsr_mpiwrap Subroutine

Receive one datum from another process

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mp_recv_cv dbcsr_mpiwrap Subroutine

Receive rank-1 data from another process

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mp_recv_d dbcsr_mpiwrap Subroutine

Receive one datum from another process

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mp_recv_dv dbcsr_mpiwrap Subroutine

Receive rank-1 data from another process

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mp_recv_i dbcsr_mpiwrap Subroutine

Receive one datum from another process

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mp_recv_iv dbcsr_mpiwrap Subroutine

Receive rank-1 data from another process

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mp_recv_l dbcsr_mpiwrap Subroutine

Receive one datum from another process

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mp_recv_lv dbcsr_mpiwrap Subroutine

Receive rank-1 data from another process

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mp_recv_r dbcsr_mpiwrap Subroutine

Receive one datum from another process

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mp_recv_rv dbcsr_mpiwrap Subroutine

Receive rank-1 data from another process

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mp_recv_z dbcsr_mpiwrap Subroutine

Receive one datum from another process

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mp_recv_zv dbcsr_mpiwrap Subroutine

Receive rank-1 data from another process

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mp_reordering dbcsr_mpiwrap Subroutine

re-create the system default communicator with a different MPI rank order

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mp_request_op_eq dbcsr_mpiwrap Function
mp_request_op_ne dbcsr_mpiwrap Function
mp_rget dbcsr_mpiwrap Interface
mp_rget_cv dbcsr_mpiwrap Subroutine

Single-sided get function for vector data

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mp_rget_dv dbcsr_mpiwrap Subroutine

Single-sided get function for vector data

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mp_rget_iv dbcsr_mpiwrap Subroutine

Single-sided get function for vector data

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mp_rget_lv dbcsr_mpiwrap Subroutine

Single-sided get function for vector data

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mp_rget_rv dbcsr_mpiwrap Subroutine

Single-sided get function for vector data

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mp_rget_zv dbcsr_mpiwrap Subroutine

Single-sided get function for vector data

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mp_send dbcsr_mpiwrap Interface
mp_send_c dbcsr_mpiwrap Subroutine

Send one datum to another process

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mp_send_cv dbcsr_mpiwrap Subroutine

Send rank-1 data to another process

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mp_send_d dbcsr_mpiwrap Subroutine

Send one datum to another process

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mp_send_dv dbcsr_mpiwrap Subroutine

Send rank-1 data to another process

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mp_send_i dbcsr_mpiwrap Subroutine

Send one datum to another process

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mp_send_iv dbcsr_mpiwrap Subroutine

Send rank-1 data to another process

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mp_send_l dbcsr_mpiwrap Subroutine

Send one datum to another process

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mp_send_lv dbcsr_mpiwrap Subroutine

Send rank-1 data to another process

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mp_send_r dbcsr_mpiwrap Subroutine

Send one datum to another process

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mp_send_rv dbcsr_mpiwrap Subroutine

Send rank-1 data to another process

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mp_send_z dbcsr_mpiwrap Subroutine

Send one datum to another process

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mp_send_zv dbcsr_mpiwrap Subroutine

Send rank-1 data to another process

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mp_sendrecv dbcsr_mpiwrap Interface
mp_sendrecv_cv dbcsr_mpiwrap Subroutine

Sends and receives vector data

mp_sendrecv_dv dbcsr_mpiwrap Subroutine

Sends and receives vector data

mp_sendrecv_iv dbcsr_mpiwrap Subroutine

Sends and receives vector data

mp_sendrecv_lv dbcsr_mpiwrap Subroutine

Sends and receives vector data

mp_sendrecv_rv dbcsr_mpiwrap Subroutine

Sends and receives vector data

mp_sendrecv_zv dbcsr_mpiwrap Subroutine

Sends and receives vector data

mp_set_comm_handle dbcsr_mpiwrap Subroutine
mp_set_file_handle dbcsr_mpiwrap Subroutine
mp_set_info_handle dbcsr_mpiwrap Subroutine
mp_set_request_handle dbcsr_mpiwrap Subroutine
mp_set_win_handle dbcsr_mpiwrap Subroutine
mp_stop dbcsr_mpiwrap Subroutine

stops after an mpi error translating the error code

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mp_sum dbcsr_mpiwrap Interface
mp_sum_b dbcsr_mpiwrap Subroutine

Logical OR reduction

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mp_sum_bv dbcsr_mpiwrap Subroutine

Logical OR reduction

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mp_sum_c dbcsr_mpiwrap Subroutine

Sums a datum from all processes with result left on all processes.

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mp_sum_cm dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-2 array on all processes.

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mp_sum_cm3 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-3 array on all processes.

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mp_sum_cm4 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-4 array on all processes.

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mp_sum_cv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_sum_d dbcsr_mpiwrap Subroutine

Sums a datum from all processes with result left on all processes.

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mp_sum_dm dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-2 array on all processes.

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mp_sum_dm3 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-3 array on all processes.

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mp_sum_dm4 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-4 array on all processes.

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mp_sum_dv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_sum_i dbcsr_mpiwrap Subroutine

Sums a datum from all processes with result left on all processes.

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mp_sum_im dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-2 array on all processes.

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mp_sum_im3 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-3 array on all processes.

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mp_sum_im4 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-4 array on all processes.

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mp_sum_iv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_sum_l dbcsr_mpiwrap Subroutine

Sums a datum from all processes with result left on all processes.

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mp_sum_lm dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-2 array on all processes.

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mp_sum_lm3 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-3 array on all processes.

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mp_sum_lm4 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-4 array on all processes.

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mp_sum_lv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_sum_partial dbcsr_mpiwrap Interface
mp_sum_partial_cm dbcsr_mpiwrap Subroutine

Partial sum of data from all processes with result on each process.

mp_sum_partial_dm dbcsr_mpiwrap Subroutine

Partial sum of data from all processes with result on each process.

mp_sum_partial_im dbcsr_mpiwrap Subroutine

Partial sum of data from all processes with result on each process.

mp_sum_partial_lm dbcsr_mpiwrap Subroutine

Partial sum of data from all processes with result on each process.

mp_sum_partial_rm dbcsr_mpiwrap Subroutine

Partial sum of data from all processes with result on each process.

mp_sum_partial_zm dbcsr_mpiwrap Subroutine

Partial sum of data from all processes with result on each process.

mp_sum_r dbcsr_mpiwrap Subroutine

Sums a datum from all processes with result left on all processes.

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mp_sum_rm dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-2 array on all processes.

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mp_sum_rm3 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-3 array on all processes.

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mp_sum_rm4 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-4 array on all processes.

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mp_sum_root_cm dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_cv dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_dm dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_dv dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_im dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_iv dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_lm dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_lv dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_rm dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_rv dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_zm dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_root_zv dbcsr_mpiwrap Subroutine

Element-wise sum of data from all processes with result left only on one.

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mp_sum_rv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_sum_z dbcsr_mpiwrap Subroutine

Sums a datum from all processes with result left on all processes.

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mp_sum_zm dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-2 array on all processes.

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mp_sum_zm3 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-3 array on all processes.

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mp_sum_zm4 dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-4 array on all processes.

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mp_sum_zv dbcsr_mpiwrap Subroutine

Element-wise sum of a rank-1 array on all processes.

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mp_sync dbcsr_mpiwrap Subroutine

synchronizes with a barrier a given group of mpi tasks

mp_test dbcsr_mpiwrap Interface
mp_test_1 dbcsr_mpiwrap Subroutine

Tests for completion of the given request.

mp_testall dbcsr_mpiwrap Interface
mp_testall_tv dbcsr_mpiwrap Function

Tests for completion of the given requests. We use mpi_test so that we can use a single status.

mp_testany dbcsr_mpiwrap Interface
mp_testany_1 dbcsr_mpiwrap Subroutine

tests for completion of the given requests

mp_testany_2 dbcsr_mpiwrap Subroutine

tests for completion of the given requests

mp_type_free_m dbcsr_mpiwrap Subroutine
mp_type_indexed_make_c dbcsr_mpiwrap Function
mp_type_indexed_make_d dbcsr_mpiwrap Function
mp_type_indexed_make_i dbcsr_mpiwrap Function
mp_type_indexed_make_l dbcsr_mpiwrap Function
mp_type_indexed_make_r dbcsr_mpiwrap Function
mp_type_indexed_make_z dbcsr_mpiwrap Function
mp_type_make dbcsr_mpiwrap Interface
mp_type_make_c dbcsr_mpiwrap Function
mp_type_make_d dbcsr_mpiwrap Function
mp_type_make_i dbcsr_mpiwrap Function
mp_type_make_l dbcsr_mpiwrap Function
mp_type_make_r dbcsr_mpiwrap Function
mp_type_make_struct dbcsr_mpiwrap Function
mp_type_make_z dbcsr_mpiwrap Function
mp_type_size dbcsr_mpiwrap Subroutine

Returns the size of a data type in bytes

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mp_wait dbcsr_mpiwrap Subroutine

waits for completion of the given request

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mp_waitall dbcsr_mpiwrap Interface
mp_waitall_1 dbcsr_mpiwrap Subroutine

waits for completion of the given requests

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mp_waitall_2 dbcsr_mpiwrap Subroutine

waits for completion of the given requests

mp_waitany dbcsr_mpiwrap Subroutine

waits for completion of any of the given requests

mp_win_create dbcsr_mpiwrap Interface
mp_win_create_cv dbcsr_mpiwrap Subroutine

Window initialization function for vector data

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mp_win_create_dv dbcsr_mpiwrap Subroutine

Window initialization function for vector data

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mp_win_create_iv dbcsr_mpiwrap Subroutine

Window initialization function for vector data

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mp_win_create_lv dbcsr_mpiwrap Subroutine

Window initialization function for vector data

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mp_win_create_rv dbcsr_mpiwrap Subroutine

Window initialization function for vector data

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mp_win_create_zv dbcsr_mpiwrap Subroutine

Window initialization function for vector data

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mp_win_flush_all dbcsr_mpiwrap Subroutine

Window flush

mp_win_free dbcsr_mpiwrap Subroutine

Window free

mp_win_lock_all dbcsr_mpiwrap Subroutine

Window lock

mp_win_op_eq dbcsr_mpiwrap Function
mp_win_op_ne dbcsr_mpiwrap Function
mp_win_unlock_all dbcsr_mpiwrap Subroutine

Window lock

mp_world_finalize dbcsr_mpiwrap Subroutine

finalizes the system default communicator

mp_world_init dbcsr_mpiwrap Subroutine

initializes the system default communicator

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multiply_3D dbcsr_mm_3d Subroutine

Multiplies two DBCSR matrices (experimental MPI algorithm). This algorithm is experimental and it should be not used in production runs.

multiply_cannon dbcsr_mm_cannon Subroutine

Multiplies two DBCSR matrices

multiply_cannon_g2g dbcsr_mm_cannon Subroutine

Multiplies two DBCSR matrices

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multrec_filtering dbcsr_mm_multrec Subroutine

Applying in-place filtering on the workspace

multrec_filtering_c dbcsr_mm_multrec Subroutine

Applying in-place filtering on the workspace. \brief Use Frobenius norm

multrec_filtering_d dbcsr_mm_multrec Subroutine

Applying in-place filtering on the workspace. \brief Use Frobenius norm

multrec_filtering_s dbcsr_mm_multrec Subroutine

Applying in-place filtering on the workspace. \brief Use Frobenius norm

multrec_filtering_z dbcsr_mm_multrec Subroutine

Applying in-place filtering on the workspace. \brief Use Frobenius norm

my_checker_tr dbcsr_mm_csr Function

Determines whether a transpose must be applied

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ndims_buffer dbcsr_tensor_reshape Function
ndims_iterator dbcsr_tensor_block Function

Number of dimensions.

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ndims_mapping dbcsr_tensor_index Function
ndims_mapping_column dbcsr_tensor_index Function

how many tensor dimensions are mapped to matrix column

ndims_mapping_row dbcsr_tensor_index Function

how many tensor dimensions are mapped to matrix row

ndims_matrix_column dbcsr_tensor_types Function

how many tensor dimensions are mapped to matrix column

ndims_matrix_row dbcsr_tensor_types Function

how many tensor dimensions are mapped to matrix row

ndims_tensor dbcsr_tensor_types Function

tensor rank

new_dbcsr_tas_blk_size_arb dbcsr_tas_global Function
new_dbcsr_tas_blk_size_one dbcsr_tas_global Function
new_dbcsr_tas_blk_size_repl dbcsr_tas_global Function
new_dbcsr_tas_blk_size_t dbcsr_tensor_types Function

Create block size object for one matrix dimension \return block size object

new_dbcsr_tas_dist_arb dbcsr_tas_global Function
new_dbcsr_tas_dist_cyclic dbcsr_tas_global Function
new_dbcsr_tas_dist_repl dbcsr_tas_global Function
new_dbcsr_tas_dist_t dbcsr_tensor_types Function

Create distribution object for one matrix dimension \return distribution object

next_linebreak dbcsr_error_handling Function

Helper routine for print_abort_message()

nfull_elements dbcsr_dist_util Function

The sum of a subset of rows/columns \return sum of sizes of local elements

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number_of_arrays dbcsr_array_list_methods Function

number of arrays stored in list

open_file dbcsr_files Subroutine

Opens the requested file using a free unit number

opt_pgrid dbcsr_tensor Function
ordered_search dbcsr_toollib Subroutine

search a value in an ordered array of indices

pd_blk_cs dbcsr_dist_util Function
permute dbcsr_tensor_test Subroutine

Compute all permutations p of (1, 2, ..., n)

permute_index dbcsr_tensor_index Subroutine

reorder tensor index (no data)

pointer_c_rank_remap2 dbcsr_ptr_util Subroutine

Sets a rank-2 pointer to rank-1 data using Fortran 2003 pointer rank remapping.

pointer_d_rank_remap2 dbcsr_ptr_util Subroutine

Sets a rank-2 pointer to rank-1 data using Fortran 2003 pointer rank remapping.

pointer_i_rank_remap2 dbcsr_ptr_util Subroutine

Sets a rank-2 pointer to rank-1 data using Fortran 2003 pointer rank remapping.

pointer_l_rank_remap2 dbcsr_ptr_util Subroutine

Sets a rank-2 pointer to rank-1 data using Fortran 2003 pointer rank remapping.

pointer_rank_remap2 dbcsr_ptr_util Interface
pointer_s_rank_remap2 dbcsr_ptr_util Subroutine

Sets a rank-2 pointer to rank-1 data using Fortran 2003 pointer rank remapping.

pointer_view dbcsr_ptr_util Interface
pointer_view_a dbcsr_ptr_util Function

Repoints a pointer into a part of a data area

pointer_view_c dbcsr_ptr_util Function

Returns a pointer with different bounds.

pointer_view_d dbcsr_ptr_util Function

Returns a pointer with different bounds.

pointer_view_i dbcsr_ptr_util Function

Returns a pointer with different bounds.

pointer_view_l dbcsr_ptr_util Function

Returns a pointer with different bounds.

pointer_view_s dbcsr_ptr_util Function

Returns a pointer with different bounds.

pointer_view_z dbcsr_ptr_util Function

Returns a pointer with different bounds.

pointer_z_rank_remap2 dbcsr_ptr_util Subroutine

Sets a rank-2 pointer to rank-1 data using Fortran 2003 pointer rank remapping.

pos_relation dbcsr_operations Function

Determines the relation between two matrix positions.

prep_output_unit dbcsr_tas_io Function
prep_output_unit dbcsr_tensor_io Function
prepare_buffers_c dbcsr_mm_cannon Subroutine

Prepare buffers for multiplications

prepare_buffers_d dbcsr_mm_cannon Subroutine

Prepare buffers for multiplications

prepare_buffers_s dbcsr_mm_cannon Subroutine

Prepare buffers for multiplications

prepare_buffers_z dbcsr_mm_cannon Subroutine

Prepare buffers for multiplications

print_abort_message dbcsr_error_handling Subroutine

Prints a nicely formatted abort message box

print_gemm_parameters dbcsr_mm_hostdrv Subroutine

Helper-routine used by dbcsr_mm_hostdrv_process to print debug info.

print_kind_info dbcsr_kinds Subroutine

Print informations about the used data types.

print_message dbcsr_print_messages Subroutine

Perform a basic blocking of the text in message and print it optionally decorated with a frame of stars as defined by declev.

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print_preconnection_list dbcsr_files Subroutine

Print the list of preconnected units

print_reports dbcsr_timings_report Subroutine

Print the collected reports

print_source dbcsr_config Function
print_stack dbcsr_timings Subroutine

Print current routine stack

printmat_c dbcsr_io Subroutine
printmat_d dbcsr_io Subroutine
printmat_s dbcsr_io Subroutine

Prints the elements of a matrix.

printmat_z dbcsr_io Subroutine
product_matrix_size_guess dbcsr_mm_common Function

Guess the size of the product matrix from the A and B sparsities

quick_finalize dbcsr_work_operations Subroutine

Performs quick finalization of matrix The data area from the work matrix is accepted as the new matrix's data area and the index is built from the work matrix.

random_blk_sizes dbcsr_tensor_example_1 Subroutine
random_dist dbcsr_example_2 Subroutine
random_dist dbcsr_example_1 Subroutine
random_dist dbcsr_example_3 Subroutine
rebin_distribution dbcsr_dist_operations Subroutine

Makes new distribution with decimation and multiplicity

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rebin_imaged_distribution dbcsr_mm_dist_operations Subroutine

Makes new distribution with multiplicity

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rec_sort_index dbcsr_mm_common Subroutine

Sorts index for recursing.

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rec_split dbcsr_mm_common Subroutine
redistribute_and_sum dbcsr_tas_mm Subroutine
reimage_distribution dbcsr_mm_dist_operations Subroutine

Makes new distribution with decimation and multiplicity Multiplicity is being ignored, maybe this is a bug

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release_layers_3D_C_reduction dbcsr_mm_3d Subroutine

Release communicators for 3D layers for C-reduction

remap_layers3D dbcsr_mm_3d Subroutine

Remap the 4-rank array in a 3-rank array by introducing the virtual coordinate

remap_local2global dbcsr_mm_multrec Subroutine

Packs a globally-indexed array into a locally-indexed array.

reorder_arrays dbcsr_array_list_methods Subroutine

reorder array list.

repl_dist dbcsr_tas_global Function
repl_rowcols dbcsr_tas_global Function
reset_accdrv_active_device_id dbcsr_config Subroutine
reshape_mm_compatible dbcsr_tensor Subroutine

Prepare tensor for contraction: redistribute to a 2d format which can be contracted by matrix multiplication. This routine reshapes the two largest of the three tensors. Redistribution is avoided if tensors already in a consistent layout.

reshape_mm_compatible dbcsr_tas_mm Subroutine

Reshape either matrix1 or matrix2 to make sure that their process grids are compatible with the same split factor.

reshape_mm_small dbcsr_tensor Subroutine

Prepare tensor for contraction: redistribute to a 2d format which can be contracted by matrix multiplication. This routine reshapes the smallest of the three tensors.

reshape_mm_small dbcsr_tas_mm Subroutine

Make sure that smallest matrix involved in a multiplication is not split and bring it to the same process grid as the other 2 matrices.

reshape_mm_template dbcsr_tas_mm Subroutine

Reshape matrix_in s.t. it has same process grid, distribution and split as template

rm_mp_perf_env dbcsr_mpiwrap Subroutine
rm_timer_env dbcsr_timings Subroutine

removes the current timer env from the stack

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rma_transfer dbcsr_mm_3d Subroutine
roctxMarkA dbcsr_hip_profiling Interface
roctxRangePop dbcsr_hip_profiling Interface
roctxRangePushA dbcsr_hip_profiling Interface
routine_name2id dbcsr_timings Function

Internal routine used by timeset_handler and timings_setup_tracing. If no routine with given name is found in timer_env%routine_names then a new entry is created.

row_col_3D_reflected dbcsr_mm_3d Subroutine

Apply reflected order, i.e. row increasing value for odd col value, row decreasing value for even col value

set_accdrv_active_device_id dbcsr_config Subroutine
set_conf_par_int dbcsr_config Subroutine
set_conf_par_logical dbcsr_config Subroutine
set_conf_par_mm_driver dbcsr_config Subroutine
set_conf_par_real dbcsr_config Subroutine
set_data_area_area dbcsr_data_methods_low Subroutine

Points data area data pointers to another data area Assumes that no memory will be lost when repointing the pointer in the data area and that the area is initialized.

set_data_p_2d_c dbcsr_data_methods_low Subroutine

Sets a data pointer.

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set_data_p_2d_d dbcsr_data_methods_low Subroutine

Sets a data pointer.

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set_data_p_2d_s dbcsr_data_methods_low Subroutine

Sets a data pointer.

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set_data_p_2d_z dbcsr_data_methods_low Subroutine

Sets a data pointer.

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set_data_p_c dbcsr_data_methods_low Subroutine

Sets a data pointer.

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set_data_p_d dbcsr_data_methods_low Subroutine

Sets a data pointer.

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set_data_p_s dbcsr_data_methods_low Subroutine

Sets a data pointer.

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set_data_p_z dbcsr_data_methods_low Subroutine

Sets a data pointer.

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set_hashed_i4tuple_callstat dbcsr_dict Subroutine

Common code used internally by dict_set() and change_capacity().

set_hashed_str_i4 dbcsr_dict Subroutine

Common code used internally by dict_set() and change_capacity().

set_larnv_seed dbcsr_blas_operations Subroutine

generate a seed respecting the lapack constraints, - values between 0..4095 (2**12-1) - iseed(4) odd also try to avoid iseed that are zero. Have but with a unique 2D mapping (irow,icol), and a 'mini-seed' ival

setup_buffer_matrices dbcsr_mm_cannon Subroutine
setup_buffer_matrix dbcsr_mm_common Subroutine
setup_buffer_matrix_image dbcsr_mm_3d Subroutine
setup_buffers dbcsr_mm_3d Subroutine
setup_rec_index_2d dbcsr_mm_cannon Subroutine
setup_rec_index_images dbcsr_mm_3d Subroutine
setup_stackbuffers dbcsr_mm_accdrv Subroutine

Helper routine used by dbcsr_mm_accdrv_init()

setup_streams dbcsr_mm_accdrv Subroutine

Helper routine used by dbcsr_mm_accdrv_init()

sgn dbcsr_dist_util Function
sizes_2d dbcsr_tensor_test Function

mapped sizes in 2d

sizes_of_arrays dbcsr_array_list_methods Function

sizes of arrays stored in list

smm_process_mm_stack_c dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues SMM library calls

smm_process_mm_stack_d dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues SMM library calls

smm_process_mm_stack_s dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues SMM library calls

smm_process_mm_stack_z dbcsr_mm_hostdrv Subroutine

Processes MM stack and issues SMM library calls

sort dbcsr_toollib Interface
sparse_multrec dbcsr_mm_multrec Subroutine

Performs recursive multiplication

split_factor_estimate dbcsr_tas_mm Function

Estimate optimal split factor for AxB=C from occupancies (number of non-zero elements) This estimate is based on the minimization of communication volume whereby the communication of CARMA n-split step and CANNON-multiplication of submatrices are considered. \result estimated split factor

split_pgrid_index dbcsr_tensor_index Function

transform flat index to nd index

split_tensor_index dbcsr_tensor_index Function

transform flat index to nd index

stack_binning dbcsr_mm_accdrv Subroutine

Roughly order stacks with a cheaper Binning-scheme by Peter Messmer

stack_sort dbcsr_mm_accdrv Subroutine

Sort stack entries with respect to the c_id.

stats_add dbcsr_mm_sched Subroutine

Helper-routine used by dbcsr_mm_sched_process to supply statistics.

stats_collect_from_ranks dbcsr_mm_sched Subroutine

Collects statistics from all MPI-ranks

stats_collect_from_threads dbcsr_mm_sched Subroutine

Collects statistics from all OpenMP-threads into report

stats_init dbcsr_mm_sched Subroutine

Initialize a stats_type

stats_print_report dbcsr_mm_sched Subroutine

Prints collected statistics

str2int dbcsr_string_utilities Subroutine

Convert a string to integer

stream_array_force_size dbcsr_mm_accdrv Subroutine

Helper routine

stringify dbcsr_string_utilities Interface
sum_of_arrays dbcsr_array_list_methods Function

sum of all elements for each array stored in list

swap dbcsr_tas_util Interface
swap dbcsr_toollib Interface
swap_buffers dbcsr_mm_3d Subroutine
swap_i dbcsr_tas_util Subroutine
swap_i8 dbcsr_tas_util Subroutine
symmetry_compatible dbcsr_operations Function

checks if symmetries of two matrices are compatible for copying \brief data from matrix_a(source) to matrix_b(target)

symmetry_consistent dbcsr_operations Function

checks if matrix symmetry and data_type are consistent \brief note: does not check the symmetry of the data itself

tas_blk_size_t dbcsr_tensor_types Function
tas_dist_t dbcsr_tensor_types Function
tas_rowcols_t dbcsr_tensor_types Function
test_binary_io dbcsr_tests Subroutine

dumps and retrieves a dbcsr matrix, and checks a checksum

test_multiplies_multiproc dbcsr_tests Subroutine

Performs a variety of matrix multiplies of same matrices on different processor grids

test_scale_by_vector dbcsr_test_scale_by_vector Function

Performs T(v * T(M)) == M*v

timer_env_create dbcsr_timings Subroutine

creates a new timer env

timer_env_release dbcsr_timings Subroutine

releases the given timer env

timer_env_retain dbcsr_timings Subroutine

retains the given timer env

timeset dbcsr_base_hooks Subroutine

Start timer

timeset_handler dbcsr_timings Subroutine

Start timer

timeset_interface dbcsr_base_hooks Interface
timestop dbcsr_base_hooks Subroutine

Stop timer

timestop_handler dbcsr_timings Subroutine

End timer

timestop_interface dbcsr_base_hooks Interface
timings_register_hooks dbcsr_timings Subroutine

Registers handlers with base_hooks.F

timings_report_callgraph dbcsr_timings_report Subroutine

Write accumulated callgraph information as cachegrind-file. http://kcachegrind.sourceforge.net/cgi-bin/show.cgi/KcacheGrindCalltreeFormat

timings_report_print dbcsr_timings_report Subroutine

Print accumulated information on timers

timings_setup_tracing dbcsr_timings Subroutine

Set routine tracer

transpose_index_local dbcsr_index_operations Subroutine

Re-indexes row_p and blk_i according to columns.

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tree_to_linear_c dbcsr_work_operations Subroutine

Converts mutable data to linear (array) type.

tree_to_linear_d dbcsr_work_operations Subroutine

Converts mutable data to linear (array) type.

tree_to_linear_s dbcsr_work_operations Subroutine

Converts mutable data to linear (array) type.

tree_to_linear_z dbcsr_work_operations Subroutine

Converts mutable data to linear (array) type.

update_contraction_storage dbcsr_tensor Function

update contraction storage that keeps track of process grids during a batched contraction and decide if tensor process grid needs to be optimized

update_row_info dbcsr_iterator_operations Subroutine

Updates the row info stored in the iterator

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uppercase dbcsr_string_utilities Subroutine

Convert all lower case characters in a string to upper case.

v_to_p_i_dist dbcsr_mm_dist_operations Subroutine

Converts virtual 1-D distribution to process and image

v_to_p_i_dist_o dbcsr_mm_dist_operations Subroutine
win_setup dbcsr_mm_3d Subroutine
within_limits dbcsr_work_operations Function

Checks whether a point is within bounds \return whether the point is within the bounds

world_to_group_proc_map dbcsr_tas_split Subroutine

map global process info to group

write_1d_data_obj dbcsr_test_scale_by_vector Subroutine
write_matrix_dense dbcsr_test_scale_by_vector Subroutine