/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | cp_dbcsr_operations.F | 166 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) [all …]
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H A D | xas_tdp_utils.F | 748 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) [all …]
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H A D | pao_param_gth.F | 62 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)
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H A D | pao_param_linpot.F | 64 … 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)
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H A D | qs_fb_filter_matrix_methods.F | 121 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)
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H A D | xas_tdp_kernel.F | 235 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) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | cp_dbcsr_operations.F | 167 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) [all …]
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H A D | pao_param_gth.F | 62 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)
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H A D | pao_param_linpot.F | 64 … 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)
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H A D | qs_fb_filter_matrix_methods.F | 121 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)
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H A D | xas_tdp_kernel.F | 237 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) [all …]
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/dports/math/dbcsr/dbcsr-2.1.0/src/tas/ |
H A D | dbcsr_tas_test.F | 129 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, & [all …]
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H A D | dbcsr_tas_base.F | 178 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) [all …]
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H A D | dbcsr_tas_io.F | 54 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)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/tas/ |
H A D | dbcsr_tas_test.F | 129 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, & [all …]
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H A D | dbcsr_tas_base.F | 177 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) [all …]
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H A D | dbcsr_tas_io.F | 54 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)
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/dports/science/cp2k-data/cp2k-7.1.0/src/dbcsrx/ |
H A D | dbcsr_vector.F | 121 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 [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/dbcsrx/ |
H A D | dbcsr_vector.F | 120 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 [all …]
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/dports/math/dbcsr/dbcsr-2.1.0/src/dist/ |
H A D | dbcsr_dist_util.F | 326 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) & [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/dist/ |
H A D | dbcsr_dist_util.F | 338 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) & [all …]
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/dports/math/dbcsr/dbcsr-2.1.0/src/work/ |
H A D | dbcsr_work_operations.F | 226 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) [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/work/ |
H A D | dbcsr_work_operations.F | 227 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) [all …]
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/dports/math/dbcsr/dbcsr-2.1.0/src/ops/ |
H A D | dbcsr_csr_conversions.F | 452 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, & [all …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/exts/dbcsr/src/ops/ |
H A D | dbcsr_csr_conversions.F | 511 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, & [all …]
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