/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | rpa_communication.F | 182 map_rec_size(proc_receive) = map_rec_size(proc_receive) + 1 244 IF (map_rec_size(proc_receive) > 0) THEN 259 IF (map_rec_size(proc_receive) > 0) THEN 287 IF (map_rec_size(proc_receive) > 0) THEN 429 IF (map_rec_size(proc_receive) > 0) THEN 491 IF (map_rec_size(proc_receive) > 0) THEN 720 proc_receive = MAX(0, proc_receive) 721 proc_receive = MIN(proc_receive, para_env_sub%num_pe - 1) 725 IF (iaia < itmp(1)) proc_receive = proc_receive - 1 726 IF (iaia > itmp(2)) proc_receive = proc_receive + 1 [all …]
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H A D | mp2_ri_gpw.F | 592 null_mat_rec, proc_receive, & 1770 external_ab, proc_receive, & 2094 rec_ij_index = num_ij_pairs(proc_receive) 2099 …(ij_index - MIN(1, integ_group_pos2color_sub(proc_receive)))*ngroup + integ_group_pos2color_sub(pr… 2116 BI_C_rec, proc_receive, & 2190 null_mat_rec, proc_receive, & 2209 rec_ij_index = num_ij_pairs(proc_receive) 2214 …(ij_index - MIN(1, integ_group_pos2color_sub(proc_receive)))*ngroup + integ_group_pos2color_sub(pr… 2231 BI_C_rec, proc_receive, & 2304 null_mat_rec, proc_receive, & [all …]
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H A D | mp2_ri_grad_util.F | 151 BIb_C_rec, proc_receive, & 565 map_rec_size(proc_receive) = map_rec_size(proc_receive) + 1 658 IF (map_rec_size(proc_receive) > 0) THEN 669 IF (map_rec_size(proc_receive) > 0) THEN 740 IF (map_rec_size(proc_receive) > 0) THEN 965 map_rec_size(proc_receive) = map_rec_size(proc_receive) + 1 1308 proc_receive = MAX(0, proc_receive) 1309 proc_receive = MIN(proc_receive, para_env_sub%num_pe - 1) 1313 IF (iaia < itmp(1)) proc_receive = proc_receive - 1 1314 IF (iaia > itmp(2)) proc_receive = proc_receive + 1 [all …]
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H A D | mp2_ri_grad.F | 1564 IF (map_rec_size(proc_receive) > 0) THEN 1572 size_rec_buffer = map_rec_size(proc_receive) 1573 IF (map_rec_size(proc_receive) > 0) THEN 1625 IF (map_rec_size(proc_receive) > 0) THEN 1633 DO jjB = 1, sizes_1i(2, proc_receive) 1642 DO iiB = 1, sizes_1i(1, proc_receive) 1660 DO jjB = 1, sizes_2a(2, proc_receive) 1669 DO iiB = 1, sizes_2a(1, proc_receive) 1725 rec_row_size = sizes(1, proc_receive) 1726 rec_col_size = sizes(2, proc_receive) [all …]
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H A D | mp2_gpw_method.F | 147 INTEGER :: p_best, potential_type, proc_receive, proc_send, q, q_best, row, row_offset, & local 543 proc_receive = proc_map(mepos_in_EX_group - index_proc_shift) 545 CALL get_group_dist(gd_exchange, proc_receive, EX_start, EX_end, size_EX) 550 … CALL get_group_dist(gd_exchange, proc_receive, EX_start_send, EX_end_send, size_EX_send) 557 CALL mp_sendrecv(BIb_send, proc_send, BIb_EX, proc_receive, para_env_exchange%group) 713 nrow_rec, proc_receive, proc_send, & local 752 proc_receive = proc_map(para_env_sub%mepos - proc_shift) 756 …CALL mp_sendrecv(local_col_row_info, proc_send, rec_col_row_info, proc_receive, para_env_sub%group) 770 CALL mp_sendrecv(local_BI, proc_send, rec_BI, proc_receive, para_env_sub%group)
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H A D | mp2_direct_method.F | 124 primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & local 698 proc_receive = proc_map(para_env%mepos - index_proc_shift) 730 … CALL mp_sendrecv(zero_mat, proc_send, BIb_RS_mat_rec, proc_receive, para_env%group) 752 … CALL mp_sendrecv(zero_mat_big, proc_send, BIb_RS_mat_rec_big, proc_receive, para_env%group) 980 index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & local 1002 proc_receive = proc_map(para_env%mepos - index_proc_shift) 1009 … CALL mp_sendrecv(size_parameter_send, proc_send, size_parameter_rec, proc_receive, para_env%group) 1064 CALL mp_sendrecv(BIb_RS_mat, proc_send, BIb_RS_mat_rec, proc_receive, para_env%group) 1150 index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & local 1173 proc_receive = proc_map(para_env%mepos - index_proc_shift) [all …]
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H A D | mp2_gpw.F | 779 my_mu_start, ncol_local, ncol_rec, nrow_local, nrow_rec, proc_receive, & local 857 proc_receive = proc_map(para_env%mepos - proc_shift) 990 INTEGER :: blk, col, col_offset, col_size, handle, i, i_global, j, j_global, proc_receive, & local 1026 proc_receive = proc_map(para_env_sub%mepos - proc_shift) 1028 CALL get_group_dist(gd_array, proc_receive, rec_mu_start, rec_mu_end, rec_mu_size) 1034 CALL mp_sendrecv(Cread, proc_send, rec_C, proc_receive, para_env_sub%group)
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H A D | mp2_integrals.F | 1427 ncol_rec, nrow_local, nrow_rec, proc_receive, proc_receive_static, proc_send, & local 1493 proc_receive = proc_map(para_env%mepos - proc_shift) 1570 nrow_rec, proc_receive, proc_send, & local 1609 proc_receive = proc_map(para_env_sub%mepos - proc_shift) 1613 …CALL mp_sendrecv(local_col_row_info, proc_send, rec_col_row_info, proc_receive, para_env_sub%group) 1627 CALL mp_sendrecv(local_BI, proc_send, rec_BI, proc_receive, para_env_sub%group)
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H A D | rpa_main.F | 789 proc_receive, proc_send, proc_shift, rec_B_size, rec_B_virtual_end, rec_B_virtual_start local 818 proc_receive = sub_proc_map(para_env_sub%mepos - proc_shift) 820 …CALL get_group_dist(gd_B_virtual, proc_receive, rec_B_virtual_start, rec_B_virtual_end, rec_B_size) 830 BIb_C_rec(:, :, 1:occ_high - occ_low + 1), proc_receive, &
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H A D | mp2_ri_2c.F | 723 nsgf, potential_type, proc_receive, proc_receive_static, proc_send, proc_send_static, & local 895 proc_receive = proc_map(para_env_exchange%mepos - proc_shift) 897 CALL get_group_dist(gd_sub_array, proc_receive, rec_L_start, rec_L_end, rec_L_size)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | rpa_communication.F | 182 map_rec_size(proc_receive) = map_rec_size(proc_receive) + 1 244 IF (map_rec_size(proc_receive) > 0) THEN 259 IF (map_rec_size(proc_receive) > 0) THEN 287 IF (map_rec_size(proc_receive) > 0) THEN 429 IF (map_rec_size(proc_receive) > 0) THEN 491 IF (map_rec_size(proc_receive) > 0) THEN 720 proc_receive = MAX(0, proc_receive) 721 proc_receive = MIN(proc_receive, para_env_sub%num_pe - 1) 725 IF (iaia < itmp(1)) proc_receive = proc_receive - 1 726 IF (iaia > itmp(2)) proc_receive = proc_receive + 1 [all …]
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H A D | mp2_ri_gpw.F | 592 null_mat_rec, proc_receive, & 1770 external_ab, proc_receive, & 2094 rec_ij_index = num_ij_pairs(proc_receive) 2099 …(ij_index - MIN(1, integ_group_pos2color_sub(proc_receive)))*ngroup + integ_group_pos2color_sub(pr… 2116 BI_C_rec, proc_receive, & 2190 null_mat_rec, proc_receive, & 2209 rec_ij_index = num_ij_pairs(proc_receive) 2214 …(ij_index - MIN(1, integ_group_pos2color_sub(proc_receive)))*ngroup + integ_group_pos2color_sub(pr… 2231 BI_C_rec, proc_receive, & 2304 null_mat_rec, proc_receive, & [all …]
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H A D | mp2_ri_grad_util.F | 151 BIb_C_rec, proc_receive, & 565 map_rec_size(proc_receive) = map_rec_size(proc_receive) + 1 658 IF (map_rec_size(proc_receive) > 0) THEN 669 IF (map_rec_size(proc_receive) > 0) THEN 740 IF (map_rec_size(proc_receive) > 0) THEN 965 map_rec_size(proc_receive) = map_rec_size(proc_receive) + 1 1308 proc_receive = MAX(0, proc_receive) 1309 proc_receive = MIN(proc_receive, para_env_sub%num_pe - 1) 1313 IF (iaia < itmp(1)) proc_receive = proc_receive - 1 1314 IF (iaia > itmp(2)) proc_receive = proc_receive + 1 [all …]
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H A D | mp2_ri_grad.F | 1557 IF (map_rec_size(proc_receive) > 0) THEN 1565 size_rec_buffer = map_rec_size(proc_receive) 1566 IF (map_rec_size(proc_receive) > 0) THEN 1618 IF (map_rec_size(proc_receive) > 0) THEN 1626 DO jjB = 1, sizes_1i(2, proc_receive) 1635 DO iiB = 1, sizes_1i(1, proc_receive) 1653 DO jjB = 1, sizes_2a(2, proc_receive) 1662 DO iiB = 1, sizes_2a(1, proc_receive) 1718 rec_row_size = sizes(1, proc_receive) 1719 rec_col_size = sizes(2, proc_receive) [all …]
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H A D | mp2_gpw_method.F | 147 INTEGER :: p_best, potential_type, proc_receive, proc_send, q, q_best, row, row_offset, & local 543 proc_receive = proc_map(mepos_in_EX_group - index_proc_shift) 545 CALL get_group_dist(gd_exchange, proc_receive, EX_start, EX_end, size_EX) 550 … CALL get_group_dist(gd_exchange, proc_receive, EX_start_send, EX_end_send, size_EX_send) 557 CALL mp_sendrecv(BIb_send, proc_send, BIb_EX, proc_receive, para_env_exchange%group) 713 nrow_rec, proc_receive, proc_send, & local 752 proc_receive = proc_map(para_env_sub%mepos - proc_shift) 756 …CALL mp_sendrecv(local_col_row_info, proc_send, rec_col_row_info, proc_receive, para_env_sub%group) 770 CALL mp_sendrecv(local_BI, proc_send, rec_BI, proc_receive, para_env_sub%group)
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H A D | mp2_direct_method.F | 124 primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & local 698 proc_receive = proc_map(para_env%mepos - index_proc_shift) 730 … CALL mp_sendrecv(zero_mat, proc_send, BIb_RS_mat_rec, proc_receive, para_env%group) 752 … CALL mp_sendrecv(zero_mat_big, proc_send, BIb_RS_mat_rec_big, proc_receive, para_env%group) 980 index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & local 1002 proc_receive = proc_map(para_env%mepos - index_proc_shift) 1009 … CALL mp_sendrecv(size_parameter_send, proc_send, size_parameter_rec, proc_receive, para_env%group) 1064 CALL mp_sendrecv(BIb_RS_mat, proc_send, BIb_RS_mat_rec, proc_receive, para_env%group) 1150 index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & local 1173 proc_receive = proc_map(para_env%mepos - index_proc_shift) [all …]
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H A D | mp2_gpw.F | 878 my_mu_start, ncol_local, ncol_rec, nrow_local, nrow_rec, proc_receive, & local 956 proc_receive = proc_map(para_env%mepos - proc_shift) 1089 INTEGER :: blk, col, col_offset, col_size, handle, i, i_global, j, j_global, proc_receive, & local 1125 proc_receive = proc_map(para_env_sub%mepos - proc_shift) 1127 CALL get_group_dist(gd_array, proc_receive, rec_mu_start, rec_mu_end, rec_mu_size) 1133 CALL mp_sendrecv(Cread, proc_send, rec_C, proc_receive, para_env_sub%group)
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H A D | mp2_ri_2c.F | 725 nsgf, potential_type, proc_receive, proc_receive_static, proc_send, proc_send_static, & local 897 proc_receive = proc_map(para_env_exchange%mepos - proc_shift) 899 CALL get_group_dist(gd_sub_array, proc_receive, rec_L_start, rec_L_end, rec_L_size)
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H A D | mp2_integrals.F | 1566 ncol_rec, nrow_local, nrow_rec, proc_receive, proc_receive_static, proc_send, & local 1632 proc_receive = proc_map(para_env%mepos - proc_shift) 1709 nrow_rec, proc_receive, proc_send, & local 1748 proc_receive = proc_map(para_env_sub%mepos - proc_shift) 1752 …CALL mp_sendrecv(local_col_row_info, proc_send, rec_col_row_info, proc_receive, para_env_sub%group) 1766 CALL mp_sendrecv(local_BI, proc_send, rec_BI, proc_receive, para_env_sub%group)
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H A D | rpa_main.F | 793 proc_receive, proc_send, proc_shift, rec_B_size, rec_B_virtual_end, rec_B_virtual_start local 822 proc_receive = sub_proc_map(para_env_sub%mepos - proc_shift) 824 …CALL get_group_dist(gd_B_virtual, proc_receive, rec_B_virtual_start, rec_B_virtual_end, rec_B_size) 834 BIb_C_rec(:, :, 1:occ_high - occ_low + 1), proc_receive, &
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