Home
last modified time | relevance | path

Searched refs:mpi_io (Results 1 – 25 of 44) sorted by relevance

12

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_scf_post_gpw.F988 mpi_io=mpi_io)
1074 mpi_io=mpi_io)
2138 mpi_io=mpi_io)
2290 mpi_io=mpi_io)
2874 mpi_io=mpi_io)
2892 mpi_io=mpi_io)
2922 mpi_io=mpi_io)
2940 mpi_io=mpi_io)
2987 mpi_io=mpi_io)
3000 mpi_io=mpi_io)
[all …]
H A Dqs_scf_post_tb.F1116 mpi_io = .TRUE.
1132 mpi_io=mpi_io)
1137 mpi_io = .TRUE.
1162 mpi_io = .TRUE.
1293 mpi_io = .TRUE.
1327 mpi_io = .TRUE.
1359 mpi_io = .TRUE.
1463 mpi_io = .TRUE.
1478 stride=section_get_ivals(elf_section, "STRIDE"), mpi_io=mpi_io)
1604 log_filename=.FALSE., mpi_io=mpi_io)
[all …]
H A Dcp_realspace_grid_cube.F41 SUBROUTINE cp_pw_to_cube(pw, unit_nr, title, particles, stride, zero_tails, mpi_io) argument
47 LOGICAL, INTENT(IN), OPTIONAL :: zero_tails, mpi_io local
70 mpi_io=mpi_io)
74 mpi_io=mpi_io)
H A Dqs_sccs.F329 mpi_io = .TRUE.
333 mpi_io=mpi_io, fout=mpi_filename)
335 IF (.NOT. mpi_io) THEN
345 mpi_io=mpi_io)
346 CALL cp_print_key_finished_output(cube_unit, logger, input, TRIM(cube_path), mpi_io=mpi_io)
413 mpi_io = .TRUE.
417 mpi_io=mpi_io, fout=mpi_filename)
429 mpi_io=mpi_io)
720 mpi_io = .TRUE.
724 mpi_io=mpi_io, fout=mpi_filename)
[all …]
H A Dminbas_wfn_analysis.F501 LOGICAL :: explicit, mpi_io local
547 mpi_io = .TRUE.
550 mpi_io=mpi_io)
553 … CALL cp_pw_to_cube(wf_r%pw, iw, title, particles=particles, stride=stride, mpi_io=mpi_io)
554 … CALL cp_print_key_finished_output(iw, logger, print_section, "MINBAS_CUBE", mpi_io=mpi_io)
565 mpi_io = .TRUE.
568 mpi_io=mpi_io)
571 … CALL cp_pw_to_cube(wf_r%pw, iw, title, particles=particles, stride=stride, mpi_io=mpi_io)
572 … CALL cp_print_key_finished_output(iw, logger, print_section, "MINBAS_CUBE", mpi_io=mpi_io)
H A Dmolecular_states.F117 LOGICAL :: explicit, mpi_io local
332 mpi_io = .TRUE.
335 mpi_io=mpi_io)
338 … "MOLECULAR_STATES%CUBES%STRIDE"), mpi_io=mpi_io)
340 "MOLECULAR_STATES%CUBES", mpi_io=mpi_io)
H A Dqs_energy_window.F95 LOGICAL :: mpi_io, print_cube, restrict_range local
287 mpi_io = .TRUE.
290 log_filename=.FALSE., mpi_io=mpi_io)
292 … CALL cp_pw_to_cube(rho_r%pw, print_unit, title, particles=particles, stride=stride, mpi_io=mpi_io)
294 "PRINT%ENERGY_WINDOWS", mpi_io=mpi_io)
H A Dstm_images.F282 LOGICAL :: mpi_io local
382 mpi_io = .TRUE.
385 log_filename=.FALSE., mpi_io=mpi_io)
389 mpi_io=mpi_io)
391 CALL cp_print_key_finished_output(unit_nr, logger, stm_section, mpi_io=mpi_io)
H A Dqs_cdft_utils.F109 LOGICAL :: build, in_memory, mpi_io local
423 mpi_io = .TRUE.
428 log_filename=.FALSE., mpi_io=mpi_io)
434 …cube(becke_control%cavity%pw, unit_nr, "CAVITY", particles=particles, stride=stride, mpi_io=mpi_io)
435 …nt_key_finished_output(unit_nr, logger, cdft_constraint_section, "PROGRAM_RUN_INFO", mpi_io=mpi_io)
1278 LOGICAL :: mpi_io local
1297 mpi_io = .TRUE.
1302 log_filename=.FALSE., mpi_io=mpi_io)
1313 mpi_io=mpi_io)
1314 …nt_key_finished_output(unit_nr, logger, cdft_constraint_section, "PROGRAM_RUN_INFO", mpi_io=mpi_io)
H A Dtransport.F665 LOGICAL :: do_current_cube, do_transport, mpi_io local
738 mpi_io = .TRUE.
741 log_filename=.FALSE., mpi_io=mpi_io)
744 mpi_io=mpi_io)
746 mpi_io=mpi_io)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_scf_post_gpw.F990 mpi_io=mpi_io)
1076 mpi_io=mpi_io)
2194 mpi_io=mpi_io)
2346 mpi_io=mpi_io)
2930 mpi_io=mpi_io)
2948 mpi_io=mpi_io)
2978 mpi_io=mpi_io)
2996 mpi_io=mpi_io)
3043 mpi_io=mpi_io)
3056 mpi_io=mpi_io)
[all …]
H A Dqs_scf_post_tb.F1139 mpi_io = .TRUE.
1155 mpi_io=mpi_io)
1160 mpi_io = .TRUE.
1185 mpi_io = .TRUE.
1316 mpi_io = .TRUE.
1350 mpi_io = .TRUE.
1382 mpi_io = .TRUE.
1486 mpi_io = .TRUE.
1501 stride=section_get_ivals(elf_section, "STRIDE"), mpi_io=mpi_io)
1627 log_filename=.FALSE., mpi_io=mpi_io)
[all …]
H A Dqs_sccs.F329 mpi_io = .TRUE.
333 mpi_io=mpi_io, fout=mpi_filename)
346 mpi_io=mpi_io)
418 mpi_io=mpi_io, fout=mpi_filename)
431 mpi_io=mpi_io)
684 mpi_io = .TRUE.
688 mpi_io=mpi_io, fout=mpi_filename)
749 mpi_io = .TRUE.
753 mpi_io=mpi_io, fout=mpi_filename)
784 mpi_io = .TRUE.
[all …]
H A Dcp_realspace_grid_cube.F41 SUBROUTINE cp_pw_to_cube(pw, unit_nr, title, particles, stride, zero_tails, mpi_io) argument
47 LOGICAL, INTENT(IN), OPTIONAL :: zero_tails, mpi_io local
70 mpi_io=mpi_io)
74 mpi_io=mpi_io)
H A Dminbas_wfn_analysis.F501 LOGICAL :: explicit, mpi_io local
547 mpi_io = .TRUE.
550 mpi_io=mpi_io)
553 … CALL cp_pw_to_cube(wf_r%pw, iw, title, particles=particles, stride=stride, mpi_io=mpi_io)
554 … CALL cp_print_key_finished_output(iw, logger, print_section, "MINBAS_CUBE", mpi_io=mpi_io)
565 mpi_io = .TRUE.
568 mpi_io=mpi_io)
571 … CALL cp_pw_to_cube(wf_r%pw, iw, title, particles=particles, stride=stride, mpi_io=mpi_io)
572 … CALL cp_print_key_finished_output(iw, logger, print_section, "MINBAS_CUBE", mpi_io=mpi_io)
H A Dmolecular_states.F117 LOGICAL :: explicit, mpi_io local
332 mpi_io = .TRUE.
335 mpi_io=mpi_io)
338 … "MOLECULAR_STATES%CUBES%STRIDE"), mpi_io=mpi_io)
340 "MOLECULAR_STATES%CUBES", mpi_io=mpi_io)
H A Dqs_energy_window.F95 LOGICAL :: mpi_io, print_cube, restrict_range local
287 mpi_io = .TRUE.
290 log_filename=.FALSE., mpi_io=mpi_io)
292 … CALL cp_pw_to_cube(rho_r%pw, print_unit, title, particles=particles, stride=stride, mpi_io=mpi_io)
294 "PRINT%ENERGY_WINDOWS", mpi_io=mpi_io)
H A Dstm_images.F282 LOGICAL :: mpi_io local
382 mpi_io = .TRUE.
385 log_filename=.FALSE., mpi_io=mpi_io)
389 mpi_io=mpi_io)
391 CALL cp_print_key_finished_output(unit_nr, logger, stm_section, mpi_io=mpi_io)
H A Dqs_cdft_utils.F110 LOGICAL :: build, in_memory, mpi_io local
429 mpi_io = .TRUE.
434 log_filename=.FALSE., mpi_io=mpi_io)
440 …cube(becke_control%cavity%pw, unit_nr, "CAVITY", particles=particles, stride=stride, mpi_io=mpi_io)
441 …nt_key_finished_output(unit_nr, logger, cdft_constraint_section, "PROGRAM_RUN_INFO", mpi_io=mpi_io)
1284 LOGICAL :: mpi_io local
1303 mpi_io = .TRUE.
1308 log_filename=.FALSE., mpi_io=mpi_io)
1319 mpi_io=mpi_io)
1320 …nt_key_finished_output(unit_nr, logger, cdft_constraint_section, "PROGRAM_RUN_INFO", mpi_io=mpi_io)
H A Dtransport.F665 LOGICAL :: do_current_cube, do_transport, mpi_io local
738 mpi_io = .TRUE.
741 log_filename=.FALSE., mpi_io=mpi_io)
744 mpi_io=mpi_io)
746 mpi_io=mpi_io)
H A Dqs_loc_methods.F870 LOGICAL :: add_idir, add_spin, mpi_io local
942 mpi_io = .TRUE.
945 mpi_io=mpi_io)
955 stride=section_get_ivals(print_key, "STRIDE"), mpi_io=mpi_io)
956 CALL cp_print_key_finished_output(unit_out_c, logger, print_key, "", mpi_io=mpi_io)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/input/
H A Dcp_output_handling.F829 … file_action, file_status, do_backup, on_file, is_new_file, mpi_io, &
841 LOGICAL, INTENT(INOUT), OPTIONAL :: mpi_io local
883 IF (PRESENT(mpi_io)) THEN
885 IF (cp_mpi_io_get() .AND. logger%para_env%num_pe > 1 .AND. mpi_io) THEN
891 CALL mp_file_get_amode(mpi_io, replace, mpi_amode, TRIM(my_file_form), &
899 mpi_io = my_mpi_io
1043 mpi_io) argument
1049 mpi_io local
1065 IF (PRESENT(mpi_io)) my_mpi_io = mpi_io
/dports/science/cp2k-data/cp2k-7.1.0/src/input/
H A Dcp_output_handling.F829 … file_action, file_status, do_backup, on_file, is_new_file, mpi_io, &
841 LOGICAL, INTENT(INOUT), OPTIONAL :: mpi_io local
883 IF (PRESENT(mpi_io)) THEN
885 IF (cp_mpi_io_get() .AND. logger%para_env%num_pe > 1 .AND. mpi_io) THEN
891 CALL mp_file_get_amode(mpi_io, replace, mpi_amode, TRIM(my_file_form), &
899 mpi_io = my_mpi_io
1043 mpi_io) argument
1049 mpi_io local
1065 IF (PRESENT(mpi_io)) my_mpi_io = mpi_io
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/emd/
H A Drt_propagation_output.F686 LOGICAL :: mpi_io local
742 mpi_io = .TRUE.
745 log_filename=.FALSE., mpi_io=mpi_io)
748 mpi_io=mpi_io)
751 mpi_io=mpi_io)
/dports/science/cp2k-data/cp2k-7.1.0/src/emd/
H A Drt_propagation_output.F686 LOGICAL :: mpi_io local
742 mpi_io = .TRUE.
745 log_filename=.FALSE., mpi_io=mpi_io)
748 mpi_io=mpi_io)
751 mpi_io=mpi_io)

12