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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dcp_dbcsr_operations.F166 NULLIFY (col_blk_size, row_blk_size)
237 NULLIFY (col_blk_size, row_blk_size)
321 row_blk_size local
330 row_blk_size=row_blk_size, &
595 …CALL dbcsr_get_info(matrix, row_blk_size=row_blk_size, col_blk_size=col_blk_size, distribution=dis…
615 row_blk_size, col_blk_size_right_out, nze=0)
732 CALL dbcsr_get_info(sparse_matrix, row_blk_size=row_blk_size, data_type=data_type)
850 CALL dbcsr_get_info(template, row_blk_size=row_blk_size, data_type=data_type)
897 NULLIFY (row_blk_size, col_blk_size)
901 CALL create_bl_distribution(row_dist, row_blk_size, m, nprows)
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H A Dxas_tdp_utils.F748 CALL dbcsr_get_info(matrix_ks(1)%matrix, row_blk_size=row_blk_size)
821 CALL dbcsr_get_info(one_sp, row_blk_size=row_blk_size)
914 CALL dbcsr_get_info(matrix_s(1)%matrix, row_blk_size=row_blk_size)
1331 CALL dbcsr_get_info(matrix_s(1)%matrix, row_blk_size=row_blk_size)
1335 row_blk_size=row_blk_size, col_blk_size=col_blk_size)
1337 row_blk_size=row_blk_size, col_blk_size=col_blk_size)
1339 row_blk_size=row_blk_size, col_blk_size=col_blk_size)
1750 CALL dbcsr_get_info(matrix_s(1)%matrix, row_blk_size=row_blk_size)
1754 row_blk_size=row_blk_size, col_blk_size=col_blk_size)
1756 row_blk_size=row_blk_size, col_blk_size=col_blk_size)
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H A Dpao_param_gth.F62 row_blk_size local
79 ALLOCATE (row_blk_size(natoms), col_blk_size(natoms), nterms(natoms))
90 CALL dbcsr_get_info(matrix_s(1)%matrix, row_blk_size=blk_sizes_pri)
92 row_blk_size = blk_sizes_pri**2
97 row_blk_size=row_blk_size, &
125 DEALLOCATE (row_blk_size, col_blk_size, nterms)
176 row_blk_size=nterms, &
264 CALL dbcsr_get_info(pao%matrix_X, row_blk_size=nterms, group=group)
H A Dpao_param_linpot.F64 … INTEGER, DIMENSION(:), POINTER :: blk_sizes_pri, col_blk_size, row_blk_size local
83 ALLOCATE (row_blk_size(natoms), col_blk_size(natoms))
91 CALL dbcsr_get_info(pao%matrix_Y, row_blk_size=blk_sizes_pri)
92 row_blk_size = blk_sizes_pri**2
97 row_blk_size=row_blk_size, &
100 DEALLOCATE (row_blk_size, col_blk_size)
160 row_blk_size=blk_sizes_nterms, &
235 row_blk_size=blk_sizes_nterms, &
563 CALL dbcsr_get_info(pao%matrix_Y, row_blk_size=pri_basis_size)
H A Dqs_fb_filter_matrix_methods.F121 row_blk_size local
130 NULLIFY (halos, atomic_kind, ntfns, dummy_halo_atoms, row_blk_size, col_blk_size)
145 row_blk_size=row_blk_size, &
167 row_blk_size=row_blk_size, &
282 INTEGER, DIMENSION(:), POINTER :: col_blk_size, ntfns, row_blk_size local
294 NULLIFY (halos, atomic_kind, row_blk_size, col_blk_size, ntfns)
312 row_blk_size=row_blk_size, &
332 row_blk_size=row_blk_size, &
535 CALL dbcsr_get_info(H_mat, row_blk_size=row_block_size_data)
828 CALL dbcsr_get_info(H_mat, row_blk_size=row_block_size_data)
H A Dxas_tdp_kernel.F235 row_blk_size=blk_size, col_blk_size=blk_size)
256 row_blk_size=blk_size, col_blk_size=blk_size)
304 row_blk_size=blk_size, col_blk_size=blk_size)
381 row_blk_size=blk_size, col_blk_size=blk_size)
432 row_blk_size=blk_size, col_blk_size=blk_size)
472 row_blk_size=blk_size, col_blk_size=blk_size)
527 row_blk_size=blk_size, col_blk_size=blk_size)
728 row_blk_size=blk_size, col_blk_size=blk_size)
793 row_blk_size=blk_size, col_blk_size=blk_size)
856 row_blk_size=blk_size, col_blk_size=blk_size)
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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dcp_dbcsr_operations.F167 NULLIFY (col_blk_size, row_blk_size)
239 NULLIFY (col_blk_size, row_blk_size)
324 row_blk_size local
333 row_blk_size=row_blk_size, &
601 …CALL dbcsr_get_info(matrix, row_blk_size=row_blk_size, col_blk_size=col_blk_size, distribution=dis…
621 row_blk_size, col_blk_size_right_out, nze=0)
738 CALL dbcsr_get_info(sparse_matrix, row_blk_size=row_blk_size, data_type=data_type)
856 CALL dbcsr_get_info(template, row_blk_size=row_blk_size, data_type=data_type)
903 NULLIFY (row_blk_size, col_blk_size)
907 CALL create_bl_distribution(row_dist, row_blk_size, m, nprows)
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H A Dpao_param_gth.F62 row_blk_size local
79 ALLOCATE (row_blk_size(natoms), col_blk_size(natoms), nterms(natoms))
90 CALL dbcsr_get_info(matrix_s(1)%matrix, row_blk_size=blk_sizes_pri)
92 row_blk_size = blk_sizes_pri**2
97 row_blk_size=row_blk_size, &
125 DEALLOCATE (row_blk_size, col_blk_size, nterms)
176 row_blk_size=nterms, &
264 CALL dbcsr_get_info(pao%matrix_X, row_blk_size=nterms, group=group)
H A Dpao_param_linpot.F64 … INTEGER, DIMENSION(:), POINTER :: blk_sizes_pri, col_blk_size, row_blk_size local
83 ALLOCATE (row_blk_size(natoms), col_blk_size(natoms))
91 CALL dbcsr_get_info(pao%matrix_Y, row_blk_size=blk_sizes_pri)
92 row_blk_size = blk_sizes_pri**2
97 row_blk_size=row_blk_size, &
100 DEALLOCATE (row_blk_size, col_blk_size)
160 row_blk_size=blk_sizes_nterms, &
235 row_blk_size=blk_sizes_nterms, &
563 CALL dbcsr_get_info(pao%matrix_Y, row_blk_size=pri_basis_size)
H A Dqs_fb_filter_matrix_methods.F121 row_blk_size local
130 NULLIFY (halos, atomic_kind, ntfns, dummy_halo_atoms, row_blk_size, col_blk_size)
145 row_blk_size=row_blk_size, &
167 row_blk_size=row_blk_size, &
282 INTEGER, DIMENSION(:), POINTER :: col_blk_size, ntfns, row_blk_size local
294 NULLIFY (halos, atomic_kind, row_blk_size, col_blk_size, ntfns)
312 row_blk_size=row_blk_size, &
332 row_blk_size=row_blk_size, &
535 CALL dbcsr_get_info(H_mat, row_blk_size=row_block_size_data)
828 CALL dbcsr_get_info(H_mat, row_blk_size=row_block_size_data)
H A Dxas_tdp_kernel.F237 row_blk_size=blk_size, col_blk_size=blk_size)
258 row_blk_size=blk_size, col_blk_size=blk_size)
306 row_blk_size=blk_size, col_blk_size=blk_size)
383 row_blk_size=blk_size, col_blk_size=blk_size)
434 row_blk_size=blk_size, col_blk_size=blk_size)
474 row_blk_size=blk_size, col_blk_size=blk_size)
529 row_blk_size=blk_size, col_blk_size=blk_size)
735 row_blk_size=blk_size, col_blk_size=blk_size)
806 row_blk_size=blk_size, col_blk_size=blk_size)
871 row_blk_size=blk_size, col_blk_size=blk_size)
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/dports/math/dbcsr/dbcsr-2.1.0/src/tas/
H A Ddbcsr_tas_test.F129 row_blk_size=rbsize_obj, col_blk_size=cbsize_obj, own_dist=.TRUE.)
189 INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: row_blk_size, col_blk_size
232 row_blk_size => dbcsr_row_block_sizes(dbcsr_a)
235 row_blk_size=row_blk_size, col_blk_size=col_blk_size, &
237 row_blk_size => dbcsr_row_block_sizes(dbcsr_b)
240 row_blk_size=row_blk_size, col_blk_size=col_blk_size, &
242 row_blk_size => dbcsr_row_block_sizes(dbcsr_c)
245 row_blk_size=row_blk_size, col_blk_size=col_blk_size, &
339 … row_blk_size_obj=dbcsr_a%row_blk_size, col_blk_size_obj=dbcsr_a%col_blk_size, &
343 … row_blk_size_obj=dbcsr_b%row_blk_size, col_blk_size_obj=dbcsr_b%col_blk_size, &
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H A Ddbcsr_tas_base.F178 matrix%nblkrows = row_blk_size%nmrowcol
184 matrix%nfullrows = row_blk_size%nfullrowcol
187 ALLOCATE (matrix%row_blk_size, source=row_blk_size)
229 row_blk_size=row_blk_size_vec, &
251 ALLOCATE (matrix%row_blk_size, source=matrix_in%row_blk_size)
273 DEALLOCATE (matrix%row_blk_size)
568 row_blk_size=row_size_vec, &
630 NULLIFY (col_blk_size, row_blk_size)
634 row_blk_size=row_blk_size, col_blk_size=col_blk_size)
833 row_size = matrix%row_blk_size%data(row)
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H A Ddbcsr_tas_io.F54 CLASS(dbcsr_tas_rowcol_data), ALLOCATABLE :: row_blk_size, col_blk_size local
64 row_blk_size=row_blk_size, col_blk_size=col_blk_size, name=name)
79 DO iblk = 1, row_blk_size%nmrowcol
80 WRITE (unit_nr_prv, '(I4,1X)', advance='no') row_blk_size%data(iblk)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/tas/
H A Ddbcsr_tas_test.F129 row_blk_size=rbsize_obj, col_blk_size=cbsize_obj, own_dist=.TRUE.)
189 INTEGER, DIMENSION(:), POINTER, CONTIGUOUS :: row_blk_size, col_blk_size
232 row_blk_size => dbcsr_row_block_sizes(dbcsr_a)
235 row_blk_size=row_blk_size, col_blk_size=col_blk_size, &
237 row_blk_size => dbcsr_row_block_sizes(dbcsr_b)
240 row_blk_size=row_blk_size, col_blk_size=col_blk_size, &
242 row_blk_size => dbcsr_row_block_sizes(dbcsr_c)
245 row_blk_size=row_blk_size, col_blk_size=col_blk_size, &
339 … row_blk_size_obj=dbcsr_a%row_blk_size, col_blk_size_obj=dbcsr_a%col_blk_size, &
343 … row_blk_size_obj=dbcsr_b%row_blk_size, col_blk_size_obj=dbcsr_b%col_blk_size, &
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H A Ddbcsr_tas_base.F177 matrix%nblkrows = row_blk_size%nmrowcol
183 matrix%nfullrows = row_blk_size%nfullrowcol
186 ALLOCATE (matrix%row_blk_size, source=row_blk_size)
228 row_blk_size=row_blk_size_vec, &
250 ALLOCATE (matrix%row_blk_size, source=matrix_in%row_blk_size)
272 DEALLOCATE (matrix%row_blk_size)
570 row_blk_size=row_size_vec, &
633 NULLIFY (col_blk_size, row_blk_size)
637 row_blk_size=row_blk_size, col_blk_size=col_blk_size)
850 row_size = matrix%row_blk_size%data(row)
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H A Ddbcsr_tas_io.F54 CLASS(dbcsr_tas_rowcol_data), ALLOCATABLE :: row_blk_size, col_blk_size local
64 row_blk_size=row_blk_size, col_blk_size=col_blk_size, name=name)
79 DO iblk = 1, row_blk_size%nmrowcol
80 WRITE (unit_nr_prv, '(I4,1X)', advance='no') row_blk_size%data(iblk)
/dports/science/cp2k-data/cp2k-7.1.0/src/dbcsrx/
H A Ddbcsr_vector.F121 CALL dbcsr_get_info(matrix, data_type=data_type, row_blk_size=row_blk_size, distribution=dist)
131 row_blk_size=row_blk_size,&
166 ALLOCATE (row_dist(1), row_blk_size(1))
168 row_blk_size(1) = nrow
173 row_blk_size=row_blk_size,&
179 DEALLOCATE (row_dist, row_blk_size)
205 CALL dbcsr_get_info(matrix, data_type=data_type, row_blk_size=row_blk_size, distribution=dist)
217 row_blk_size=row_blk_size,&
253 ALLOCATE (row_dist(nprows), row_blk_size(nprows))
254 row_blk_size(:) = nrow
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/dbcsrx/
H A Ddbcsr_vector.F120 CALL dbcsr_get_info(matrix, data_type=data_type, row_blk_size=row_blk_size, distribution=dist)
130 row_blk_size=row_blk_size, &
165 ALLOCATE (row_dist(1), row_blk_size(1))
167 row_blk_size(1) = nrow
172 row_blk_size=row_blk_size, &
178 DEALLOCATE (row_dist, row_blk_size)
203 CALL dbcsr_get_info(matrix, data_type=data_type, row_blk_size=row_blk_size, distribution=dist)
215 row_blk_size=row_blk_size, &
251 ALLOCATE (row_dist(nprows), row_blk_size(nprows))
252 row_blk_size(:) = nrow
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/dports/math/dbcsr/dbcsr-2.1.0/src/dist/
H A Ddbcsr_dist_util.F326 SUBROUTINE meta_from_dist(meta, dist, row_blk_size, col_blk_size) argument
333 INTEGER, DIMENSION(:), INTENT(IN), POINTER :: row_blk_size, col_blk_size local
345 nfullrows_total = SUM(row_blk_size)
350 nfullrows_local = nfullrows_local + row_blk_size(blkrows_local(i))
447 INTEGER, DIMENSION(:), POINTER :: col_blk_size, row_blk_size local
465 row_blk_size => array_data(matrix%row_blk_size)
479 m = row_blk_size(br)
488 m = row_blk_size(br)
615 row_blk_size => array_data(m%row_blk_size)
664 IF (SIZE(row_blk_size) /= m%nblkrows_total) &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/dist/
H A Ddbcsr_dist_util.F338 SUBROUTINE meta_from_dist(meta, dist, row_blk_size, col_blk_size) argument
345 INTEGER, DIMENSION(:), INTENT(IN), POINTER :: row_blk_size, col_blk_size local
359 nfullrows_total = SUM(row_blk_size)
364 nfullrows_local = nfullrows_local + row_blk_size(blkrows_local(i))
468 INTEGER, DIMENSION(:), POINTER :: col_blk_size, row_blk_size local
486 row_blk_size => array_data(matrix%row_blk_size)
500 m = row_blk_size(br)
509 m = row_blk_size(br)
636 row_blk_size => array_data(m%row_blk_size)
685 IF (SIZE(row_blk_size) /= m%nblkrows_total) &
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/dports/math/dbcsr/dbcsr-2.1.0/src/work/
H A Ddbcsr_work_operations.F226 CALL array_release(matrix%row_blk_size)
270 matrix%row_blk_size = row_blk_size_obj
271 CALL array_hold(matrix%row_blk_size)
272 ELSEIF (PRESENT(row_blk_size)) THEN
273 CALL array_new(matrix%row_blk_size, row_blk_size, gift=reuse_arrays)
499 ELSEIF (PRESENT(row_blk_size)) THEN
500 blk_size => row_blk_size
570 ELSEIF (PRESENT(row_blk_size)) THEN
573 row_blk_size=row_blk_size, &
1478 rbs => array_data(matrix%row_blk_size)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/work/
H A Ddbcsr_work_operations.F227 CALL array_release(matrix%row_blk_size)
271 matrix%row_blk_size = row_blk_size_obj
272 CALL array_hold(matrix%row_blk_size)
273 ELSEIF (PRESENT(row_blk_size)) THEN
274 CALL array_new(matrix%row_blk_size, row_blk_size, gift=reuse_arrays)
503 ELSEIF (PRESENT(row_blk_size)) THEN
504 blk_size => row_blk_size
574 ELSEIF (PRESENT(row_blk_size)) THEN
577 row_blk_size=row_blk_size, &
1492 rbs => array_data(matrix%row_blk_size)
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/dports/math/dbcsr/dbcsr-2.1.0/src/ops/
H A Ddbcsr_csr_conversions.F452 prev_row_blk_size, row_blk_offset, row_blk_size local
514 DO m = 1, row_blk_size !nr of rows
523 prev_row_blk_size = row_blk_size
704 DO m = 1, row_blk_size !nr of rows
735 prev_row_blk_size = row_blk_size
1033 row_blk_size local
1057 ALLOCATE (block_abs(row_blk_size*col_blk_size))
1058 ALLOCATE (csr_sparsity_blk(row_blk_size*col_blk_size))
1352 NULLIFY (row_blk_size, rdist, row_blk_size_new)
1357 row_blk_size=row_blk_size, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/ops/
H A Ddbcsr_csr_conversions.F511 prev_row_blk_size, row_blk_offset, row_blk_size local
573 DO m = 1, row_blk_size !nr of rows
582 prev_row_blk_size = row_blk_size
765 DO m = 1, row_blk_size !nr of rows
796 prev_row_blk_size = row_blk_size
1098 row_blk_size local
1122 ALLOCATE (block_abs(row_blk_size*col_blk_size))
1123 ALLOCATE (csr_sparsity_blk(row_blk_size*col_blk_size))
1420 NULLIFY (row_blk_size, rdist, row_blk_size_new)
1425 row_blk_size=row_blk_size, &
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