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Searched refs:gd_array (Results 1 – 15 of 15) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dbse.F378 gd_array, color_sub, para_env) argument
386 TYPE(group_dist_d1_type) :: gd_array local
449 …CALL allocate_and_fill_local_array(B_iaQ_bse_local, fm_mat_S, gd_array, color_sub, homo, virtual, …
451 …CALL allocate_and_fill_local_array(B_bar_iaQ_bse_local, fm_mat_S_bar_ia_bse, gd_array, color_sub, …
454 …CALL allocate_and_fill_local_array(B_bar_ijQ_bse_local, fm_mat_S_bar_ij_bse, gd_array, color_sub, …
457 …CALL allocate_and_fill_local_array(B_abQ_bse_local, fm_mat_S_ab_bse, gd_array, color_sub, virtual,…
479 SUBROUTINE allocate_and_fill_local_array(B_local, fm_mat_S, gd_array, & argument
484 TYPE(group_dist_d1_type) :: gd_array local
509 CALL get_group_dist(gd_array, pos=imepos, starts=start_RI, ends=end_RI)
516 CALL get_group_dist(gd_array, color_sub, start_RI, end_RI, size_RI)
H A Dmp2_gpw.F612 gd_array, gd_B_virtual, &
619 gd_array, gd_B_virtual_beta, &
626 gd_array, gd_B_virtual, &
635 gd_array, gd_B_virtual, &
789 TYPE(group_dist_d1_type) :: gd_array local
796 CALL create_group_dist(gd_array, para_env_sub%num_pe, dimen)
922 mat_munu, gd_array, proc_map)
926 mat_munu, gd_array, proc_map)
946 mat_munu, gd_array, proc_map)
953 CALL release_group_dist(gd_array)
[all …]
H A Dmp2_ri_2c.F148 gd_array, calc_PQ_cond_num, cond_num, do_svd, eps_svd, & argument
165 TYPE(group_dist_d1_type), INTENT(OUT) :: gd_array local
194 gd_array, calc_PQ_cond_num, cond_num, &
224 CALL release_group_dist(gd_array)
232 gd_array, calc_PQ_cond_num, cond_num, &
251 gd_array, ngroup, dimen_RI, dimen_RI_red, para_env)
333 TYPE(group_dist_d1_type), INTENT(INOUT) :: gd_array local
347 CALL release_group_dist(gd_array)
349 CALL create_group_dist(gd_array, ngroup, dimen_RI_red)
708 TYPE(group_dist_d1_type), INTENT(OUT) :: gd_array local
[all …]
H A Dmp2_ri_gpw.F72 gd_array, gd_B_virtual, & argument
82 TYPE(group_dist_d1_type), INTENT(INOUT) :: gd_array, gd_B_virtual local
169 mp2_env, para_env, para_env_sub, gd_array, gd_B_virtual, &
190 gd_array%sizes, calc_forces, &
281 CALL get_group_dist(gd_array, proc_receive, sizes=rec_L_size)
716 DEALLOCATE (gd_array%sizes)
718 ALLOCATE (gd_array%sizes(0:iiB - 1))
719 gd_array%sizes(:) = sizes_array_orig
802 gd_array, gd_B_virtual, &
836 CALL release_group_dist(gd_array)
[all …]
H A Dmp2_integrals.F172 …SUBROUTINE mp2_ri_gpw_compute_in(BIb_C, BIb_C_gw, BIb_C_bse_ij, BIb_C_bse_ab, gd_array, gd_B_virtu… argument
192 TYPE(group_dist_d1_type), INTENT(OUT) :: gd_array, gd_B_virtual local
430 … gd_array, calc_PQ_cond_num .AND. .NOT. do_svd, cond_num, do_svd, eps_svd, &
601 …CALL contract_B_L(BIb_C, my_Lrows, gd_B_virtual%sizes, gd_array%sizes, qs_env%mp2_env%eri_blksize,…
612 …CALL contract_B_L(BIb_C_beta, my_Lrows, gd_B_virtual_beta%sizes, gd_array%sizes, qs_env%mp2_env%er…
625 …CALL contract_B_L(BIb_C_gw, my_Lrows, gd_B_all%sizes, gd_array%sizes, qs_env%mp2_env%eri_blksize, &
636 …CALL contract_B_L(BIb_C_gw_beta, my_Lrows, gd_B_all%sizes, gd_array%sizes, qs_env%mp2_env%eri_blks…
651 …CALL contract_B_L(BIb_C_bse_ab, my_Lrows, gd_B_virt_bse%sizes, gd_array%sizes, qs_env%mp2_env%eri_…
662 …CALL contract_B_L(BIb_C_bse_ij, my_Lrows, gd_B_occ_bse%sizes, gd_array%sizes, qs_env%mp2_env%eri_b…
H A Drpa_main.F153 gd_array, gd_B_virtual, gd_B_all, gd_B_occ_bse, gd_B_virt_bse, & argument
174 TYPE(group_dist_d1_type), INTENT(INOUT) :: gd_array, gd_B_virtual, gd_B_all, & local
328 CALL get_group_dist(gd_array, color_sub, my_group_L_start, my_group_L_end, my_group_L_size)
356 … mem_min = 2.0_dp*REAL(homo, KIND=dp)*maxsize(gd_B_virtual)*maxsize(gd_array)*8.0_dp/(1024**2)
678 gd_array, color_sub, &
702 gd_array, color_sub, &
708 CALL release_group_dist(gd_array)
1267 gd_array, color_sub, & argument
1303 TYPE(group_dist_d1_type), INTENT(IN) :: gd_array local
1978 gd_array, color_sub, para_env)
H A Dmp2_ri_grad_util.F86 my_B_size, my_B_virtual_start, gd_array, gd_B_virtual, & argument
97 TYPE(group_dist_d1_type), INTENT(IN) :: gd_array, gd_B_virtual local
241 CALL get_group_dist(gd_array, pos_group, gd_array_new, i)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dbse.F378 gd_array, color_sub, para_env) argument
386 TYPE(group_dist_d1_type) :: gd_array local
449 …CALL allocate_and_fill_local_array(B_iaQ_bse_local, fm_mat_S, gd_array, color_sub, homo, virtual, …
451 …CALL allocate_and_fill_local_array(B_bar_iaQ_bse_local, fm_mat_S_bar_ia_bse, gd_array, color_sub, …
454 …CALL allocate_and_fill_local_array(B_bar_ijQ_bse_local, fm_mat_S_bar_ij_bse, gd_array, color_sub, …
457 …CALL allocate_and_fill_local_array(B_abQ_bse_local, fm_mat_S_ab_bse, gd_array, color_sub, virtual,…
479 SUBROUTINE allocate_and_fill_local_array(B_local, fm_mat_S, gd_array, & argument
484 TYPE(group_dist_d1_type) :: gd_array local
509 CALL get_group_dist(gd_array, pos=imepos, starts=start_RI, ends=end_RI)
516 CALL get_group_dist(gd_array, color_sub, start_RI, end_RI, size_RI)
H A Dmp2_ri_2c.F149 gd_array, calc_PQ_cond_num, cond_num, do_svd, eps_svd, & argument
166 TYPE(group_dist_d1_type), INTENT(OUT) :: gd_array local
196 gd_array, calc_PQ_cond_num, cond_num, &
226 CALL release_group_dist(gd_array)
234 gd_array, calc_PQ_cond_num, cond_num, &
253 gd_array, ngroup, dimen_RI, dimen_RI_red, para_env)
335 TYPE(group_dist_d1_type), INTENT(INOUT) :: gd_array local
349 CALL release_group_dist(gd_array)
351 CALL create_group_dist(gd_array, ngroup, dimen_RI_red)
710 TYPE(group_dist_d1_type), INTENT(OUT) :: gd_array local
[all …]
H A Dmp2_gpw.F708 gd_array, gd_B_virtual, &
715 gd_array, gd_B_virtual_beta, &
722 gd_array, gd_B_virtual, &
731 gd_array, gd_B_virtual, &
888 TYPE(group_dist_d1_type) :: gd_array local
895 CALL create_group_dist(gd_array, para_env_sub%num_pe, dimen)
1021 mat_munu, gd_array, proc_map)
1025 mat_munu, gd_array, proc_map)
1045 mat_munu, gd_array, proc_map)
1052 CALL release_group_dist(gd_array)
[all …]
H A Dmp2_ri_gpw.F72 gd_array, gd_B_virtual, & argument
82 TYPE(group_dist_d1_type), INTENT(INOUT) :: gd_array, gd_B_virtual local
169 mp2_env, para_env, para_env_sub, gd_array, gd_B_virtual, &
190 gd_array%sizes, calc_forces, &
281 CALL get_group_dist(gd_array, proc_receive, sizes=rec_L_size)
716 DEALLOCATE (gd_array%sizes)
718 ALLOCATE (gd_array%sizes(0:iiB - 1))
719 gd_array%sizes(:) = sizes_array_orig
802 gd_array, gd_B_virtual, &
836 CALL release_group_dist(gd_array)
[all …]
H A Drpa_main.F173 gd_array, gd_B_virtual, gd_B_all, gd_B_occ_bse, gd_B_virt_bse, & argument
196 TYPE(group_dist_d1_type), INTENT(INOUT) :: gd_array, gd_B_virtual, gd_B_all, & local
327 CALL get_group_dist(gd_array, color_sub, my_group_L_start, my_group_L_end, my_group_L_size)
357 … mem_min = 2.0_dp*REAL(homo, KIND=dp)*maxsize(gd_B_virtual)*maxsize(gd_array)*8.0_dp/(1024**2)
682 gd_array, color_sub, &
706 eps_filter, gd_array, color_sub, &
712 CALL release_group_dist(gd_array)
1393 eps_filter, gd_array, color_sub, & argument
1434 TYPE(group_dist_d1_type), INTENT(IN) :: gd_array local
2191 gd_array, color_sub, para_env)
H A Dmp2_integrals.F204 …SUBROUTINE mp2_ri_gpw_compute_in(BIb_C, BIb_C_gw, BIb_C_bse_ij, BIb_C_bse_ab, gd_array, gd_B_virtu… argument
224 TYPE(group_dist_d1_type), INTENT(OUT) :: gd_array, gd_B_virtual local
465 … gd_array, calc_PQ_cond_num .AND. .NOT. do_svd, cond_num, do_svd, eps_svd, &
604 …CALL contract_B_L(BIb_C, my_Lrows, gd_B_virtual%sizes, gd_array%sizes, qs_env%mp2_env%eri_blksize,…
615 …CALL contract_B_L(BIb_C_beta, my_Lrows, gd_B_virtual_beta%sizes, gd_array%sizes, qs_env%mp2_env%er…
628 …CALL contract_B_L(BIb_C_gw, my_Lrows, gd_B_all%sizes, gd_array%sizes, qs_env%mp2_env%eri_blksize, &
639 …CALL contract_B_L(BIb_C_gw_beta, my_Lrows, gd_B_all%sizes, gd_array%sizes, qs_env%mp2_env%eri_blks…
654 …CALL contract_B_L(BIb_C_bse_ab, my_Lrows, gd_B_virt_bse%sizes, gd_array%sizes, qs_env%mp2_env%eri_…
665 …CALL contract_B_L(BIb_C_bse_ij, my_Lrows, gd_B_occ_bse%sizes, gd_array%sizes, qs_env%mp2_env%eri_b…
H A Dmp2_ri_grad_util.F86 my_B_size, my_B_virtual_start, gd_array, gd_B_virtual, & argument
97 TYPE(group_dist_d1_type), INTENT(IN) :: gd_array, gd_B_virtual local
241 CALL get_group_dist(gd_array, pos_group, gd_array_new, i)
/dports/www/coppermine/cpg1.6.x-1.6.12/include/
H A Dfunctions.inc.php3945 $gd_array = gd_info();
3947 if (array_key_exists('GD Version' , $gd_array) == TRUE) {
3948 …] = array('Exact version', preg_replace('/[[:alpha:][:space:]()]+/', '', $gd_array['GD Version']));
3950 foreach ($gd_array as $key => $value) {
3954 unset($gd_array);