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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/fm/
H A Dcp_fm_struct.F173 fmstruct%ncol_block = template_fmstruct%ncol_block
209 IF (PRESENT(ncol_block)) THEN
211 fmstruct%ncol_block = ncol_block
216 fmstruct%ncol_block = MAX(1, MIN(fmstruct%ncol_block, dumblock))
224 fmstruct%ncol_block = fmstruct%nrow_block
270 fmstruct%ncol_block = fmstruct%ncol_global
450 IF (PRESENT(ncol_block)) ncol_block = fmstruct%ncol_block
574 ncol_block=ncol_block)
593 nfilled_blocks = ncol_global/ncol_block
646 ncol_block=ncol_block, &
[all …]
H A Dcp_fm_diag_utils.F208 INTEGER :: gcd_max, ipe, jpe, ncol_block, & local
218 nrow_block=nrow_block, ncol_block=ncol_block)
252 IF (numroc(ncol_global, ncol_block, ipe, 0, npcol) == 0) &
300 io_unit, ngroups, ncol_block local
330 …ncol_block = -1 ! normally we also want to adjust the block size according to the optimal # of CPUs
360 CALL cp_fm_get_info(matrix, ncol_block=ncol_block)
402 ncol_block=ncol_block)
H A Dcp_fm_diag.F582 IF (matrix%matrix_struct%nrow_block /= matrix%matrix_struct%ncol_block) THEN
764 irow_local, ncol_block, nrow_block local
799 ncol_block = work%matrix_struct%ncol_block
811 ipcol = indxg2p(icol_global, ncol_block, mypcol, &
815 icol_local = indxg2l(icol_global, ncol_block, mypcol, &
832 ipcol = indxg2p(icol_global, ncol_block, mypcol, &
836 icol_local = indxg2l(icol_global, ncol_block, mypcol, &
H A Dcp_cfm_types.F658 nrow_block, ncol_block, nrow_local, ncol_local, & argument
663 INTEGER, OPTIONAL, INTENT(OUT) :: ncol_block, ncol_global, & local
684 IF (PRESENT(ncol_block)) ncol_block = matrix%matrix_struct%ncol_block
732 indxl2g(i, matrix%matrix_struct%ncol_block, mypcol, &
1104 src_block_tmp = (/send_dist%nrow_block, send_dist%ncol_block/)
1112 dest_block_tmp = (/recv_dist%nrow_block, recv_dist%ncol_block/)
H A Dcp_fm_types.F620 INTEGER :: i, i0, j, j0, ncol, ncol_block, & local
657 nrow_block=nrow_block, ncol_block=ncol_block, &
866 nrow_block, ncol_block, nrow_local, ncol_local, & argument
873 ncol_block, nrow_local, ncol_local local
903 ncol_block=ncol_block)
1558 src_block_tmp = (/send_dist%nrow_block, send_dist%ncol_block/)
1566 dest_block_tmp = (/recv_dist%nrow_block, recv_dist%ncol_block/)
2101 … CALL cp_fm_get_info(fm, nrow_global=nrow_global, ncol_global=ncol_global, ncol_block=max_block, &
2208 … CALL cp_fm_get_info(fm, nrow_global=nrow_global, ncol_global=ncol_global, ncol_block=max_block, &
2326 … CALL cp_fm_get_info(fm, nrow_global=nrow_global, ncol_global=ncol_global, ncol_block=max_block, &
/dports/science/cp2k-data/cp2k-7.1.0/src/fm/
H A Dcp_fm_struct.F173 fmstruct%ncol_block = template_fmstruct%ncol_block
209 IF (PRESENT(ncol_block)) THEN
211 fmstruct%ncol_block = ncol_block
216 fmstruct%ncol_block = MAX(1, MIN(fmstruct%ncol_block, dumblock))
224 fmstruct%ncol_block = fmstruct%nrow_block
270 fmstruct%ncol_block = fmstruct%ncol_global
450 IF (PRESENT(ncol_block)) ncol_block = fmstruct%ncol_block
574 ncol_block=ncol_block)
593 nfilled_blocks = ncol_global/ncol_block
646 ncol_block=ncol_block, &
[all …]
H A Dcp_fm_diag_utils.F208 INTEGER :: gcd_max, ipe, jpe, ncol_block, & local
218 nrow_block=nrow_block, ncol_block=ncol_block)
252 IF (numroc(ncol_global, ncol_block, ipe, 0, npcol) == 0) &
300 io_unit, ngroups, ncol_block local
330 …ncol_block = -1 ! normally we also want to adjust the block size according to the optimal # of CPUs
360 CALL cp_fm_get_info(matrix, ncol_block=ncol_block)
402 ncol_block=ncol_block)
H A Dcp_fm_diag.F582 IF (matrix%matrix_struct%nrow_block /= matrix%matrix_struct%ncol_block) THEN
764 irow_local, ncol_block, nrow_block local
799 ncol_block = work%matrix_struct%ncol_block
811 ipcol = indxg2p(icol_global, ncol_block, mypcol, &
815 icol_local = indxg2l(icol_global, ncol_block, mypcol, &
832 ipcol = indxg2p(icol_global, ncol_block, mypcol, &
836 icol_local = indxg2l(icol_global, ncol_block, mypcol, &
H A Dcp_cfm_types.F658 nrow_block, ncol_block, nrow_local, ncol_local, & argument
663 INTEGER, OPTIONAL, INTENT(OUT) :: ncol_block, ncol_global, & local
684 IF (PRESENT(ncol_block)) ncol_block = matrix%matrix_struct%ncol_block
732 indxl2g(i, matrix%matrix_struct%ncol_block, mypcol, &
1104 src_block_tmp = (/send_dist%nrow_block, send_dist%ncol_block/)
1112 dest_block_tmp = (/recv_dist%nrow_block, recv_dist%ncol_block/)
H A Dcp_fm_types.F627 INTEGER :: i, i0, j, j0, ncol, ncol_block, & local
664 nrow_block=nrow_block, ncol_block=ncol_block, &
873 nrow_block, ncol_block, nrow_local, ncol_local, & argument
880 ncol_block, nrow_local, ncol_local local
910 ncol_block=ncol_block)
1540 src_block_tmp = (/send_dist%nrow_block, send_dist%ncol_block/)
1548 dest_block_tmp = (/recv_dist%nrow_block, recv_dist%ncol_block/)
2083 … CALL cp_fm_get_info(fm, nrow_global=nrow_global, ncol_global=ncol_global, ncol_block=max_block, &
2190 … CALL cp_fm_get_info(fm, nrow_global=nrow_global, ncol_global=ncol_global, ncol_block=max_block, &
2308 … CALL cp_fm_get_info(fm, nrow_global=nrow_global, ncol_global=ncol_global, ncol_block=max_block, &
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_matrix_pools.F231 ncg, ncol_block, nmo, nrg, nrow_block, & local
240 ncol_block = cp_fm_struct_get_ncol_block()
350 ncol_block=ncol_block)
383 ncol_block=ncol_block)
397 ncol_block=ncol_block)
428 ncol_block=ncol_block)
444 ncol_block=ncol_block)
477 ncol_block=ncol_block)
491 ncol_block=ncol_block)
521 ncol_block=ncol_block)
[all …]
H A Dcp_dbcsr_operations.F143 INTEGER :: col, group, handle, ncol_block, ncol_global, nrow_block, nrow_global, row local
163 ncol_block = fm%matrix_struct%ncol_block
169 … nrow_block=nrow_block, ncol_block=ncol_block, & ! BLACS parameters
212 INTEGER :: handle, ncol_block, nfullcols_total, & local
234 ncol_block = fm%matrix_struct%ncol_block
241 nrow_block=nrow_block, ncol_block=ncol_block, &
1226 IF (ncol_block .EQ. 0) THEN
1230 nblkcols = ncolumns/ncol_block
1231 sz = MOD(ncolumns, ncol_block)
1235 col_blk_sizes = ncol_block
[all …]
H A Dmp2_ri_grad_util.F482 ncol_block=ncol_block)
509 send_pcol = cp_fm_indxg2p(jjB, ncol_block, dummy_proc, &
633 send_pcol = cp_fm_indxg2p(jjB, ncol_block, dummy_proc, &
762 j_local = cp_fm_indxg2l(j_sub, ncol_block, dummy_proc, &
887 ncol_block=ncol_block)
959 rec_pcol = cp_fm_indxg2p(jjB, ncol_block, dummy_proc, &
1263 ncol_block=ncol_block)
1291 send_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
1408 rec_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
1414 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
[all …]
H A Drpa_communication.F127 ncol_block=ncol_block_s)
140 ncol_block=ncol_block_d)
377 ncol_block=ncol_block_s)
390 ncol_block=ncol_block_d)
675 ncol_block=ncol_block)
703 send_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
804 rec_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
810 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
829 rec_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
835 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
[all …]
H A Dlibrary_tests.F1279 INTEGER :: i_loop, i_rep, k, m, n, N_loop, n_rep, ncol_block, & local
1307 … section_vals_val_get(cp_fm_gemm_test_section, "ncol_block", i_rep_section=i_rep, i_val=ncol_block)
1329 WRITE (iw, '(T2,A,T50,I5,A,I5)') 'requested block size', nrow_block, ' by ', ncol_block
1354 … nrow_block=nrow_block, ncol_block=ncol_block, force_block=force_blocksize)
1355 … CALL cp_fm_struct_get(fmstruct_a, nrow_block=nrow_block_actual, ncol_block=ncol_block_actual)
1367 … nrow_block=nrow_block, ncol_block=ncol_block, force_block=force_blocksize)
1368 … CALL cp_fm_struct_get(fmstruct_b, nrow_block=nrow_block_actual, ncol_block=ncol_block_actual)
1377 … nrow_block=nrow_block, ncol_block=ncol_block, force_block=force_blocksize)
1378 … CALL cp_fm_struct_get(fmstruct_c, nrow_block=nrow_block_actual, ncol_block=ncol_block_actual)
H A Dmp2_ri_grad.F1285 ncol_block=ncol_block)
1303 ncol_block=ncol_block_1i)
1328 ncol_block=ncol_block_2a)
1399 send_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
1401 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
1429 send_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
1431 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
1854 ncol_block=ncol_block)
1866 ncol_block=ncol_block)
1940 j_global = cp_fm_indxl2g(jjB, ncol_block, send_pcol, &
[all …]
H A Dqs_linres_op.F1020 ncol_block, ncol_global, ncol_local, npcol, nprow, nrow_block, & local
1037 ncol_block = matrix%matrix_struct%ncol_block
1049 icol_global = indxl2g(icol_local, ncol_block, mypcol, &
H A Dmp2_ri_2c.F1146 j_col_global, LLL, MMM, ncol_block, ncol_local, npcol, nprow, nrow_block, nrow_local, & local
1166 ncol_block=ncol_block)
1187 send_pcol = cp_fm_indxg2p(MMM, ncol_block, dummy_proc, &
1269 send_pcol = cp_fm_indxg2p(MMM, ncol_block, dummy_proc, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_matrix_pools.F231 ncg, ncol_block, nmo, nrg, nrow_block, & local
240 ncol_block = cp_fm_struct_get_ncol_block()
350 ncol_block=ncol_block)
383 ncol_block=ncol_block)
397 ncol_block=ncol_block)
428 ncol_block=ncol_block)
444 ncol_block=ncol_block)
477 ncol_block=ncol_block)
491 ncol_block=ncol_block)
521 ncol_block=ncol_block)
[all …]
H A Dcp_dbcsr_operations.F164 ncol_block = fm%matrix_struct%ncol_block
170 … nrow_block=nrow_block, ncol_block=ncol_block, & ! BLACS parameters
214 INTEGER :: handle, ncol_block, nfullcols_total, & local
236 ncol_block = fm%matrix_struct%ncol_block
243 nrow_block=nrow_block, ncol_block=ncol_block, &
1204 nrow_block, ncol_block, group, pgrid, row_blk_sizes, col_blk_sizes) argument
1232 IF(ncol_block.EQ.0) THEN
1236 nblkcols = ncolumns / ncol_block
1237 sz = MOD(ncolumns, ncol_block)
1241 col_blk_sizes = ncol_block
[all …]
H A Dmp2_ri_grad_util.F482 ncol_block=ncol_block)
509 send_pcol = cp_fm_indxg2p(jjB, ncol_block, dummy_proc, &
633 send_pcol = cp_fm_indxg2p(jjB, ncol_block, dummy_proc, &
762 j_local = cp_fm_indxg2l(j_sub, ncol_block, dummy_proc, &
887 ncol_block=ncol_block)
959 rec_pcol = cp_fm_indxg2p(jjB, ncol_block, dummy_proc, &
1263 ncol_block=ncol_block)
1291 send_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
1408 rec_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
1414 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
[all …]
H A Drpa_communication.F127 ncol_block=ncol_block_s)
140 ncol_block=ncol_block_d)
377 ncol_block=ncol_block_s)
390 ncol_block=ncol_block_d)
675 ncol_block=ncol_block)
703 send_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
804 rec_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
810 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
829 rec_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
835 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
[all …]
H A Dlibrary_tests.F1398 INTEGER :: i_loop, i_rep, k, m, n, N_loop, n_rep, ncol_block, & local
1426 … section_vals_val_get(cp_fm_gemm_test_section, "ncol_block", i_rep_section=i_rep, i_val=ncol_block)
1448 WRITE (iw, '(T2,A,T50,I5,A,I5)') 'requested block size', nrow_block, ' by ', ncol_block
1473 … nrow_block=nrow_block, ncol_block=ncol_block, force_block=force_blocksize)
1474 … CALL cp_fm_struct_get(fmstruct_a, nrow_block=nrow_block_actual, ncol_block=ncol_block_actual)
1486 … nrow_block=nrow_block, ncol_block=ncol_block, force_block=force_blocksize)
1487 … CALL cp_fm_struct_get(fmstruct_b, nrow_block=nrow_block_actual, ncol_block=ncol_block_actual)
1496 … nrow_block=nrow_block, ncol_block=ncol_block, force_block=force_blocksize)
1497 … CALL cp_fm_struct_get(fmstruct_c, nrow_block=nrow_block_actual, ncol_block=ncol_block_actual)
H A Dmp2_ri_grad.F1278 ncol_block=ncol_block)
1296 ncol_block=ncol_block_1i)
1321 ncol_block=ncol_block_2a)
1392 send_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
1394 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
1422 send_pcol = cp_fm_indxg2p(j_global, ncol_block, dummy_proc, &
1424 j_local = cp_fm_indxg2l(j_global, ncol_block, dummy_proc, &
1847 ncol_block=ncol_block)
1859 ncol_block=ncol_block)
1933 j_global = cp_fm_indxl2g(jjB, ncol_block, send_pcol, &
[all …]
H A Dqs_linres_op.F1020 ncol_block, ncol_global, ncol_local, npcol, nprow, nrow_block, & local
1037 ncol_block = matrix%matrix_struct%ncol_block
1049 icol_global = indxl2g(icol_local, ncol_block, mypcol, &

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