igrid_level (reference) in projects: dports

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Searched refs:igrid_level (Results 1 – 25 of 26) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/
H A D	main.F	60 DO igrid_level=1,ngrid_levels 62 rs_grids(igrid_level)%lb, & 63 rs_grids(igrid_level)%ub, & 74 …ALLOCATE(rs_grids(igrid_level)%r(rs_grids(igrid_level)%lb_local(1):rs_grids(igrid_level)%ub_local(… 75 … rs_grids(igrid_level)%lb_local(2):rs_grids(igrid_level)%ub_local(2), & 76 … rs_grids(igrid_level)%lb_local(3):rs_grids(igrid_level)%ub_local(3))) 88 DO igrid_level=1,ngrid_levels 89 … CALL init_cube_info(cube_info(igrid_level),rs_grids(igrid_level)%dr,rs_grids(igrid_level)%dh, & 181 DO igrid_level=1,ngrid_levels 185 DO igrid_level=1,ngrid_levels [all …]
/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/
H A D	main.F	60 DO igrid_level=1,ngrid_levels 62 rs_grids(igrid_level)%lb, & 63 rs_grids(igrid_level)%ub, & 74 …ALLOCATE(rs_grids(igrid_level)%r(rs_grids(igrid_level)%lb_local(1):rs_grids(igrid_level)%ub_local(… 75 … rs_grids(igrid_level)%lb_local(2):rs_grids(igrid_level)%ub_local(2), & 76 … rs_grids(igrid_level)%lb_local(3):rs_grids(igrid_level)%ub_local(3))) 88 DO igrid_level=1,ngrid_levels 89 … CALL init_cube_info(cube_info(igrid_level),rs_grids(igrid_level)%dr,rs_grids(igrid_level)%dh, & 181 DO igrid_level=1,ngrid_levels 185 DO igrid_level=1,ngrid_levels [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/pw_env/
H A D	rs_pw_interface.F	108 DO igrid_level = 1, gridlevel_info%ngrid_levels 127 mgrid_rspace(igrid_level - 1)%pw, pw_pools(igrid_level)%pool, & 205 IF (igrid_level /= 1) THEN 214 mgrid_rspace(igrid_level - 1)%pw, pw_pools(igrid_level)%pool, & 281 IF (igrid_level /= auxbas_grid) THEN 283 CALL pw_transfer(mgrid_gspace(igrid_level)%pw, mgrid_rspace(igrid_level)%pw) 292 IF (igrid_level /= auxbas_grid) THEN 295 mgrid_rspace(igrid_level)%pw%cr3d = & 305 mgrid_rspace(igrid_level + 1)%pw, pw_pools(igrid_level + 1)%pool, & 308 mgrid_rspace(igrid_level + 1)%pw%cr3d = & [all …]
H A D	pw_env_types.F	`194 INTEGER :: i, igrid_level local 216 DO igrid_level = 1, SIZE(pw_env%cube_info) 217 CALL destroy_cube_info(pw_env%cube_info(igrid_level))`
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/pw_env/
H A D	rs_pw_interface.F	108 DO igrid_level = 1, gridlevel_info%ngrid_levels 127 mgrid_rspace(igrid_level - 1)%pw, pw_pools(igrid_level)%pool, & 205 IF (igrid_level /= 1) THEN 214 mgrid_rspace(igrid_level - 1)%pw, pw_pools(igrid_level)%pool, & 281 IF (igrid_level /= auxbas_grid) THEN 283 CALL pw_transfer(mgrid_gspace(igrid_level)%pw, mgrid_rspace(igrid_level)%pw) 292 IF (igrid_level /= auxbas_grid) THEN 295 mgrid_rspace(igrid_level)%pw%cr3d = & 305 mgrid_rspace(igrid_level + 1)%pw, pw_pools(igrid_level + 1)%pool, & 308 mgrid_rspace(igrid_level + 1)%pw%cr3d = & [all …]
H A D	pw_env_types.F	`194 INTEGER :: i, igrid_level local 216 DO igrid_level = 1, SIZE(pw_env%cube_info) 217 CALL destroy_cube_info(pw_env%cube_info(igrid_level))`
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	qs_external_density.F	`63 INTEGER :: extunit, gid, handle, i, igrid_level, & local 105 DO igrid_level = 1, gridlevel_info%ngrid_levels 106 CALL rs_grid_create(rs_rho_ext(igrid_level)%rs_grid, & 107 rs_descs(igrid_level)%rs_desc) 108 CALL rs_grid_zero(rs_rho_ext(igrid_level)%rs_grid) 111 igrid_level = igrid_level - 1 124 dr(i) = rs_descs(igrid_level)%rs_desc%dh(i, i) 126 npoints = rs_descs(igrid_level)%rs_desc%npts 127 lbounds = rs_descs(igrid_level)%rs_desc%lb 128 ubounds = rs_descs(igrid_level)%rs_desc%ub [all …]`
H A D	qs_collocate_density.F	596 DO igrid_level = 1, gridlevel_info%ngrid_levels 821 DO igrid_level = 1, gridlevel_info%ngrid_levels 822 CALL pw_zero(mgrid_rspace(igrid_level)%pw) 828 DO igrid_level = 1, gridlevel_info%ngrid_levels 829 CALL pw_zero(mgrid_gspace(igrid_level)%pw) 1689 …loop_tasks: DO itask = task_list%taskstart(ipair, igrid_level), task_list%taskstop(ipair, igrid_le… 2100 igrid_level = tasks(itask)%grid_level 2254 rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 2263 rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 2463 … lb(dir) = rs_rho(igrid_level)%rs_grid%lb_local(dir) + rs_rho(igrid_level)%rs_grid%desc%border [all …]
H A D	pw_env_methods.F	`369 DO igrid_level = 1, ngrid_level 372 cutilev = cutoff(igrid_level) 392 IF (igrid_level == 1) THEN 425 NULLIFY (pw_pools(igrid_level)%pool) 495 DO igrid_level = 1, SIZE(pw_pools) 560 DO igrid_level = 1, ngrid_level 577 …IF (rs_descs(igrid_level)%rs_desc%distributed) higher_grid_layout = rs_descs(igrid_level)%rs_desc%… 580 CALL rs_grid_create(rs_grids(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 724 DO igrid_level = 1, ngrid_level 798 DO igrid_level = 1, ngrid_level [all …]`
H A D	task_list_methods.F	353 igrid_level_old = igrid_level 366 task_list%npairs(igrid_level) = ipair 396 igrid_level_old = igrid_level 420 … WRITE (6, *) "Total number of pairs(grid_level) ", igrid_level, task_list%npairs(igrid_level) 449 … DO itask = task_list%taskstart(ipair, igrid_level), task_list%taskstop(ipair, igrid_level) 559 … rs_descs(igrid_level)%rs_desc, cube_info(igrid_level), & 1786 DO igrid_level = 1, SIZE(rs_descs) 1802 DO igrid_level = 1, SIZE(rs_descs) 1808 CALL get_current_loads(loads(:, igrid_level), rs_descs, igrid_level, ntasks, & 1820 DO igrid_level = 1, SIZE(rs_descs) [all …]
H A D	mp2_eri_gpw.F	274 igrid_level = gaussian_gridlevel(pw_env_sub%gridlevel_info, MINVAL(zeta(:, iset))) 276 IF (.NOT. ALL(rs_v(igrid_level)%rs_grid%desc%perd == 1)) THEN 280 tp(dir) = MODULO(tp(dir), rs_v(igrid_level)%rs_grid%desc%npts(dir)) 281 IF (rs_v(igrid_level)%rs_grid%desc%perd(dir) .NE. 1) THEN 282 … lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) + rs_v(igrid_level)%rs_grid%desc%border 283 … ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) - rs_v(igrid_level)%rs_grid%desc%border 285 lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) 286 ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) 289 location(dir) = tp(dir) + rs_v(igrid_level)%rs_grid%desc%lb(dir) 320 rsgrid=rs_v(igrid_level)%rs_grid, & [all …]
H A D	qs_integrate_potential_product.F	363 DO igrid_level = 1, gridlevel_info%ngrid_levels 364 IF (rs_v(igrid_level)%rs_grid%desc%distributed) THEN 510 loop_pairs: DO ipair = 1, task_list%npairs(igrid_level) 511 …loop_tasks: DO itask = task_list%taskstart(ipair, igrid_level), task_list%taskstop(ipair, igrid_le… 663 IF (rs_v(igrid_level)%rs_grid%desc%distributed) THEN 679 ra, rab, rs_v(igrid_level)%rs_grid, cell, & 680 cube_info(igrid_level), & 694 cube_info(igrid_level), & 708 ra, rab, rs_v(igrid_level)%rs_grid, cell, & 709 cube_info(igrid_level), & [all …]
H A D	qs_linres_current.F	887 CALL rs_grid_create(rs_rho(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 892 CALL rs_grid_create(rs_current(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 1140 rs_current(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1149 … rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1197 … rs_current(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1207 … rs_current(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1217 … CALL rs_grid_mult_and_add(rs_current(igrid_level)%rs_grid, rs_rho(igrid_level)%rs_grid, & 1478 CALL rs_grid_create(rs_gauge(1)%rs(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 1479 CALL rs_grid_create(rs_gauge(2)%rs(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 1480 CALL rs_grid_create(rs_gauge(3)%rs(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) [all …]
H A D	mp2_ri_grad.F	541 IF (.NOT. ALL(rs_v(igrid_level)%rs_grid%desc%perd == 1)) THEN 546 IF (rs_v(igrid_level)%rs_grid%desc%perd(dir) .NE. 1) THEN 547 … lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) + rs_v(igrid_level)%rs_grid%desc%border 548 … ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) - rs_v(igrid_level)%rs_grid%desc%border 550 lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) 551 ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) 795 IF (.NOT. ALL(rs_v(igrid_level)%rs_grid%desc%perd == 1)) THEN 801 … lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) + rs_v(igrid_level)%rs_grid%desc%border 802 … ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) - rs_v(igrid_level)%rs_grid%desc%border 804 lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) [all …]
H A D	qs_integrate_potential_single.F	773 igrid_level = gaussian_gridlevel(gridlevel_info, zeta(ipgf, iset)) 774 rs_grid => rs_v(igrid_level)%rs_grid 823 rs_grid => rs_v(igrid_level)%rs_grid 1011 igrid_level = gaussian_gridlevel(gridlevel_info, zetp) 1012 rs_grid => rs_v(igrid_level)%rs_grid 1061 igrid_level = gaussian_gridlevel(gridlevel_info, zetp) 1062 rs_grid => rs_v(igrid_level)%rs_grid 1076 rsgrid=rs_v(igrid_level)%rs_grid, cell=cell, & 1077 cube_info=pw_env%cube_info(igrid_level), & 1088 rsgrid=rs_v(igrid_level)%rs_grid, cell=cell, & [all …]
H A D	cp_control_utils.F	569 DO igrid_level = 1, ngrid_level 570 qs_control%e_cutoff(igrid_level) = cutofflist(igrid_level) 574 DO igrid_level = ngrid_level, 1, -1 580 IF (igrid_level == 1) THEN 587 DO igrid_level = 2, ngrid_level 588 qs_control%e_cutoff(igrid_level) = qs_control%e_cutoff(igrid_level - 1)/ & 593 DO igrid_level = 2, ngrid_level 594 IF (qs_control%e_cutoff(igrid_level) > qs_control%e_cutoff(igrid_level - 1)) THEN 596 ELSE IF (qs_control%e_cutoff(igrid_level) == qs_control%e_cutoff(igrid_level - 1)) THEN 1669 qs_control%e_cutoff(igrid_level), & [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	qs_external_density.F	`63 INTEGER :: extunit, gid, handle, i, igrid_level, & local 105 DO igrid_level = 1, gridlevel_info%ngrid_levels 106 CALL rs_grid_create(rs_rho_ext(igrid_level)%rs_grid, & 107 rs_descs(igrid_level)%rs_desc) 108 CALL rs_grid_zero(rs_rho_ext(igrid_level)%rs_grid) 111 igrid_level = igrid_level - 1 124 dr(i) = rs_descs(igrid_level)%rs_desc%dh(i, i) 126 npoints = rs_descs(igrid_level)%rs_desc%npts 127 lbounds = rs_descs(igrid_level)%rs_desc%lb 128 ubounds = rs_descs(igrid_level)%rs_desc%ub [all …]`
H A D	pw_env_methods.F	`377 DO igrid_level = 1, ngrid_level 380 cutilev = cutoff(igrid_level) 400 IF (igrid_level == 1) THEN 433 NULLIFY (pw_pools(igrid_level)%pool) 503 DO igrid_level = 1, SIZE(pw_pools) 568 DO igrid_level = 1, ngrid_level 585 …IF (rs_descs(igrid_level)%rs_desc%distributed) higher_grid_layout = rs_descs(igrid_level)%rs_desc%… 588 CALL rs_grid_create(rs_grids(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 732 DO igrid_level = 1, ngrid_level 810 DO igrid_level = 1, ngrid_level [all …]`
H A D	task_list_methods.F	336 igrid_level_old = igrid_level 349 task_list%npairs(igrid_level) = ipair 373 igrid_level_old = igrid_level 397 … WRITE (6, *) "Total number of pairs(grid_level) ", igrid_level, task_list%npairs(igrid_level) 420 … DO itask = task_list%taskstart(ipair, igrid_level), task_list%taskstop(ipair, igrid_level) 532 … rs_descs(igrid_level)%rs_desc, cube_info(igrid_level), & 1915 DO igrid_level = 1, SIZE(rs_descs) 1931 DO igrid_level = 1, SIZE(rs_descs) 1937 …CALL get_current_loads(loads(:, igrid_level), rs_descs, igrid_level, ntasks, nimages, natoms, maxs… 1949 DO igrid_level = 1, SIZE(rs_descs) [all …]
H A D	mp2_eri_gpw.F	275 igrid_level = gaussian_gridlevel(pw_env_sub%gridlevel_info, MINVAL(zeta(:, iset))) 277 IF (.NOT. ALL(rs_v(igrid_level)%rs_grid%desc%perd == 1)) THEN 281 tp(dir) = MODULO(tp(dir), rs_v(igrid_level)%rs_grid%desc%npts(dir)) 282 IF (rs_v(igrid_level)%rs_grid%desc%perd(dir) .NE. 1) THEN 283 … lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) + rs_v(igrid_level)%rs_grid%desc%border 284 … ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) - rs_v(igrid_level)%rs_grid%desc%border 286 lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) 287 ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) 290 location(dir) = tp(dir) + rs_v(igrid_level)%rs_grid%desc%lb(dir) 316 rsgrid=rs_v(igrid_level)%rs_grid, & [all …]
H A D	qs_collocate_density.F	863 CALL pw_zero(mgrid_rspace(igrid_level)%pw) 1716 …loop_tasks: DO itask = task_list%taskstart(ipair, igrid_level), task_list%taskstop(ipair, igrid_le… 1845 rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1858 rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1872 rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1884 rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 2310 rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 2322 rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 2539 … lb(dir) = rs_rho(igrid_level)%rs_grid%lb_local(dir) + rs_rho(igrid_level)%rs_grid%desc%border 2540 … ub(dir) = rs_rho(igrid_level)%rs_grid%ub_local(dir) - rs_rho(igrid_level)%rs_grid%desc%border [all …]
H A D	qs_integrate_potential_product.F	329 DO igrid_level = 1, gridlevel_info%ngrid_levels 330 IF (rs_v(igrid_level)%rs_grid%desc%distributed) THEN 457 loop_gridlevels: DO igrid_level = 1, gridlevel_info%ngrid_levels 476 loop_pairs: DO ipair = 1, task_list%npairs(igrid_level) 477 …loop_tasks: DO itask = task_list%taskstart(ipair, igrid_level), task_list%taskstop(ipair, igrid_le… 633 IF (rs_v(igrid_level)%rs_grid%desc%distributed) THEN 650 cube_info(igrid_level), & 664 cube_info(igrid_level), & 679 cube_info(igrid_level), & 692 cube_info(igrid_level), & [all …]
H A D	qs_linres_current.F	900 CALL rs_grid_create(rs_rho(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 905 CALL rs_grid_create(rs_current(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 1130 … rs_current(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1142 … rs_rho(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1154 … rs_current(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1168 … rs_current(igrid_level)%rs_grid, cell, cube_info(igrid_level), & 1207 … CALL rs_grid_mult_and_add(rs_current(igrid_level)%rs_grid, rs_rho(igrid_level)%rs_grid, & 1295 CALL rs_grid_create(rs_gauge(1)%rs(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 1296 CALL rs_grid_create(rs_gauge(2)%rs(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) 1297 CALL rs_grid_create(rs_gauge(3)%rs(igrid_level)%rs_grid, rs_descs(igrid_level)%rs_desc) [all …]
H A D	mp2_ri_grad.F	542 IF (.NOT. ALL(rs_v(igrid_level)%rs_grid%desc%perd == 1)) THEN 547 IF (rs_v(igrid_level)%rs_grid%desc%perd(dir) .NE. 1) THEN 548 … lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) + rs_v(igrid_level)%rs_grid%desc%border 549 … ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) - rs_v(igrid_level)%rs_grid%desc%border 551 lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) 552 ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) 793 IF (.NOT. ALL(rs_v(igrid_level)%rs_grid%desc%perd == 1)) THEN 799 … lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) + rs_v(igrid_level)%rs_grid%desc%border 800 … ub(dir) = rs_v(igrid_level)%rs_grid%ub_local(dir) - rs_v(igrid_level)%rs_grid%desc%border 802 lb(dir) = rs_v(igrid_level)%rs_grid%lb_local(dir) [all …]
H A D	qs_integrate_potential_single.F	769 igrid_level = gaussian_gridlevel(gridlevel_info, zeta(ipgf, iset)) 770 rs_grid => rs_v(igrid_level)%rs_grid 819 rs_grid => rs_v(igrid_level)%rs_grid 1013 igrid_level = gaussian_gridlevel(gridlevel_info, zetp) 1014 rs_grid => rs_v(igrid_level)%rs_grid 1064 igrid_level = gaussian_gridlevel(gridlevel_info, zetp) 1065 rs_grid => rs_v(igrid_level)%rs_grid 1071 ra, rab, rab2, rs_v(igrid_level)%rs_grid, cell, & 1072 pw_env%cube_info(igrid_level), & 1083 ra, rab, rab2, rs_v(igrid_level)%rs_grid, cell, & [all …]