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Octopus
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Data Types | |
type | restart_basic_data_t |
restart_basic_data_t stores global information about a specific component we want to save. This includes the tag, and the specific sub folder. These information are the same for all restart objects. More... | |
type | restart_basic_t |
restart_basic_t stores the basic information about a restart object. More... | |
interface | restart_block_signals |
block signals while writing the restart files More... | |
type | restart_data_t |
type | restart_t |
interface | restart_unblock_signals |
unblock signals when writing restart is finished More... | |
Functions/Subroutines | |
logical function, public | clean_stop (comm) |
returns true if a file named stop exists More... | |
subroutine | restart_basic_init (restart, namespace, data_type, type, ierr, dir) |
logical function | restart_basic_do_i_write (restart) |
subroutine | restart_init (restart, namespace, data_type, type, mc, ierr, mesh, dir, exact) |
Initializes a specific restart object. More... | |
subroutine | restart_basic_end (restart) |
subroutine | restart_end (restart) |
character(len=max_path_len) function | restart_basic_dir (restart) |
Returns the name of the directory containing the restart information. The use of this function should be avoided, as the access to the restart data should always be done through this module, and it is only provided to allow some older parts of the code to keep functioning until someone fixes them. More... | |
subroutine | restart_basic_open_dir (restart, dirname, ierr) |
Change the restart directory to dirname, where "dirname" is a subdirectory of the base restart directory. More... | |
subroutine | restart_basic_close_dir (restart) |
Change back to the base directory. To be called after restart_basic_open_dir. More... | |
subroutine | restart_basic_mkdir (restart, dirname) |
Make directory "dirname" inside the current restart directory. More... | |
subroutine | restart_basic_rm (restart, name) |
Remove directory or file "name" that is located inside the current restart directory. More... | |
integer function | restart_basic_open (restart, filename, status, position, silent) |
Open file "filename" found inside the current restart directory. Depending on the type of restart, the file will be used for reading (RESTART_TYPE_LOAD), or for writing (RESTART_TYPE_DUMP). Note that this function only be used to open formatted files and that unformatted data should be accessed using the restart_*_binary subroutines. More... | |
subroutine | restart_basic_write (restart, iunit, lines, nlines, ierr) |
subroutine | restart_basic_read (restart, iunit, lines, nlines, ierr) |
subroutine | restart_basic_close (restart, iunit) |
Close a file previously opened with restart_basic_open. More... | |
logical pure function | restart_basic_skip (restart) |
Returns true if the restart information should neither be read nor written. This might happen because the user chose not to write any restart information, or because the restart information is not available for reading. More... | |
logical pure function | restart_basic_has_flag (restart, flag) |
Returns true if... More... | |
logical pure function | restart_has_map (restart) |
Returns true if the restart was from a different order of mesh points. More... | |
integer pure function | restart_basic_get_data_type (restart) |
Returns the data type of the restart. More... | |
character(:) function, allocatable | restart_basic_get_info (restart) |
character(:) function, allocatable | restart_get_info (restart) |
subroutine | drestart_write_mesh_function (restart, space, filename, mesh, ff, ierr, root) |
subroutine | drestart_read_mesh_function (restart, space, filename, mesh, ff, ierr) |
In domain parallel case each process reads a part of the file. At the end all the processes have the corresponding mesh part. More... | |
subroutine | drestart_write_binary1 (restart, filename, np, ff, ierr, root) |
subroutine | drestart_write_binary2 (restart, filename, np, ff, ierr, root) |
subroutine | drestart_write_binary3 (restart, filename, np, ff, ierr, root) |
subroutine | drestart_write_binary5 (restart, filename, np, ff, ierr, root) |
subroutine | drestart_read_binary1 (restart, filename, np, ff, ierr) |
subroutine | drestart_read_binary2 (restart, filename, np, ff, ierr) |
subroutine | drestart_read_binary3 (restart, filename, np, ff, ierr) |
subroutine | drestart_read_binary5 (restart, filename, np, ff, ierr) |
subroutine | drestart_write_binary1_int32 (restart, filename, np, ff, ierr, root) |
subroutine | drestart_write_binary2_int32 (restart, filename, np, ff, ierr, root) |
subroutine | drestart_write_binary3_int32 (restart, filename, np, ff, ierr, root) |
subroutine | drestart_write_binary5_int32 (restart, filename, np, ff, ierr, root) |
subroutine | drestart_read_binary1_int32 (restart, filename, np, ff, ierr) |
subroutine | drestart_read_binary2_int32 (restart, filename, np, ff, ierr) |
subroutine | drestart_read_binary3_int32 (restart, filename, np, ff, ierr) |
subroutine | drestart_read_binary5_int32 (restart, filename, np, ff, ierr) |
subroutine | zrestart_write_mesh_function (restart, space, filename, mesh, ff, ierr, root) |
subroutine | zrestart_read_mesh_function (restart, space, filename, mesh, ff, ierr) |
In domain parallel case each process reads a part of the file. At the end all the processes have the corresponding mesh part. More... | |
subroutine | zrestart_write_binary1 (restart, filename, np, ff, ierr, root) |
subroutine | zrestart_write_binary2 (restart, filename, np, ff, ierr, root) |
subroutine | zrestart_write_binary3 (restart, filename, np, ff, ierr, root) |
subroutine | zrestart_write_binary5 (restart, filename, np, ff, ierr, root) |
subroutine | zrestart_read_binary1 (restart, filename, np, ff, ierr) |
subroutine | zrestart_read_binary2 (restart, filename, np, ff, ierr) |
subroutine | zrestart_read_binary3 (restart, filename, np, ff, ierr) |
subroutine | zrestart_read_binary5 (restart, filename, np, ff, ierr) |
subroutine | zrestart_write_binary1_int32 (restart, filename, np, ff, ierr, root) |
subroutine | zrestart_write_binary2_int32 (restart, filename, np, ff, ierr, root) |
subroutine | zrestart_write_binary3_int32 (restart, filename, np, ff, ierr, root) |
subroutine | zrestart_write_binary5_int32 (restart, filename, np, ff, ierr, root) |
subroutine | zrestart_read_binary1_int32 (restart, filename, np, ff, ierr) |
subroutine | zrestart_read_binary2_int32 (restart, filename, np, ff, ierr) |
subroutine | zrestart_read_binary3_int32 (restart, filename, np, ff, ierr) |
subroutine | zrestart_read_binary5_int32 (restart, filename, np, ff, ierr) |
Variables | |
integer, parameter | restart_n_data_types = 14 |
The data_types refer mainly to the run-mode of the calculation. More... | |
integer, parameter, public | restart_undefined = -1 |
integer, parameter, public | restart_all = 0 |
integer, parameter, public | restart_gs = 1 |
integer, parameter, public | restart_unocc = 2 |
integer, parameter, public | restart_td = 3 |
integer, parameter, public | restart_em_resp = 4 |
integer, parameter, public | restart_em_resp_fd = 5 |
integer, parameter, public | restart_kdotp = 6 |
integer, parameter, public | restart_vib_modes = 7 |
integer, parameter, public | restart_vdw = 8 |
integer, parameter, public | restart_casida = 9 |
integer, parameter, public | restart_oct = 10 |
integer, parameter, public | restart_partition = 11 |
integer, parameter, public | restart_proj = 12 |
integer, parameter, public | restart_iteration = 13 |
integer, parameter, public | restart_custom = 14 |
integer, parameter, public | restart_type_dump = 1 |
integer, parameter, public | restart_type_load = 2 |
integer, parameter, public | restart_flag_states = 1 |
For each data type, we can write different information into the restart file, which are selected by the restart flags: More... | |
integer, parameter, public | restart_flag_rho = 2 |
integer, parameter, public | restart_flag_vhxc = 4 |
integer, parameter, public | restart_flag_mix = 8 |
integer, parameter, public | restart_flag_skip = 16 |
integer, parameter, public | restart_flag_literal = 32 |
character(len=4), dimension(2), parameter | type_string = (/ "DUMP", "LOAD"/) |
type(restart_basic_data_t), dimension(restart_undefined:restart_n_data_types), parameter | basic_info = [ restart_basic_data_t("Undefined", ""), restart_basic_data_t("All", ""), restart_basic_data_t("Ground-state", GS_DIR), restart_basic_data_t("Unoccupied states", GS_DIR), restart_basic_data_t("Time-dependent", TD_DIR), restart_basic_data_t("EM Resp.", EM_RESP_DIR), restart_basic_data_t("EM Resp. FD", EM_RESP_FD_DIR), restart_basic_data_t("KdotP", KDOTP_DIR), restart_basic_data_t("Vib. Modes", VIB_MODES_DIR), restart_basic_data_t("VdW", VDW_DIR), restart_basic_data_t("Casida", CASIDA_DIR), restart_basic_data_t("Optimal Control", OCT_DIR), restart_basic_data_t("Mesh Partition", PARTITION_DIR, RESTART_FLAG_SKIP), restart_basic_data_t("GS for TDOutput", GS_DIR), restart_basic_data_t("Iteration counter", ITERATION_DIR), restart_basic_data_t("Custom data", "") ] |
Information about the components for a given system. More... | |
logical function, public restart_oct_m::clean_stop | ( | type(mpi_comm), intent(in) | comm | ) |
returns true if a file named stop exists
Definition at line 334 of file restart.F90.
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[out] | restart | Restart information |
[in] | data_type | Restart data type (RESTART_GS, RESTART_TD, etc) |
[in] | type | Is this restart used for dumping (type = RESTART_TYPE_DUMP) or for loading (type = RESTART_TYPE_LOAD)? |
[out] | ierr | Error code, if any. Required for LOAD, should not be present for DUMP. |
[in] | dir | Directory where to find the restart data. It is mandatory if data_type=RESTART_UNDEFINED and is ignored in all the other cases. |
Definition at line 366 of file restart.F90.
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Definition at line 691 of file restart.F90.
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Initializes a specific restart object.
A restart object should only be used for one data type at a time. Note that the folder pwd, used to read/write some of the data is stored and can be changed by the functions restart_basic_open_dir() and restart_basic_close_dir().
[out] | restart | Restart information |
[in] | data_type | Restart data type (RESTART_GS, RESTART_TD, etc) |
[in] | type | Is this restart used for dumping (type = RESTART_TYPE_DUMP) or for loading (type = RESTART_TYPE_LOAD)? |
[in] | mc | The multicommunicator in charge of handling this restart. |
[out] | ierr | Error code, if any. Required for LOAD, should not be present for DUMP. |
[in] | mesh | If present, depending on the type of restart, the mesh information is either dumped or the mesh compatibility is checked. |
[in] | dir | Directory where to find the restart data. It is mandatory if data_type=RESTART_UNDEFINED and is ignored in all the other cases. |
[in] | exact | If loading the restart information, should the mesh be exactly the same or not? |
Definition at line 705 of file restart.F90.
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Definition at line 869 of file restart.F90.
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Definition at line 883 of file restart.F90.
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Returns the name of the directory containing the restart information. The use of this function should be avoided, as the access to the restart data should always be done through this module, and it is only provided to allow some older parts of the code to keep functioning until someone fixes them.
Definition at line 917 of file restart.F90.
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Change the restart directory to dirname, where "dirname" is a subdirectory of the base restart directory.
Definition at line 932 of file restart.F90.
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Change back to the base directory. To be called after restart_basic_open_dir.
Definition at line 966 of file restart.F90.
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Make directory "dirname" inside the current restart directory.
Definition at line 981 of file restart.F90.
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Remove directory or file "name" that is located inside the current restart directory.
Definition at line 999 of file restart.F90.
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Open file "filename" found inside the current restart directory. Depending on the type of restart, the file will be used for reading (RESTART_TYPE_LOAD), or for writing (RESTART_TYPE_DUMP). Note that this function only be used to open formatted files and that unformatted data should be accessed using the restart_*_binary subroutines.
Definition at line 1021 of file restart.F90.
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Definition at line 1069 of file restart.F90.
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Definition at line 1096 of file restart.F90.
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Close a file previously opened with restart_basic_open.
Definition at line 1113 of file restart.F90.
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Returns true if the restart information should neither be read nor written. This might happen because the user chose not to write any restart information, or because the restart information is not available for reading.
Definition at line 1132 of file restart.F90.
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Returns true if...
Definition at line 1142 of file restart.F90.
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Returns true if the restart was from a different order of mesh points.
Definition at line 1153 of file restart.F90.
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Returns the data type of the restart.
Definition at line 1162 of file restart.F90.
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Definition at line 1168 of file restart.F90.
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Definition at line 1177 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1255 of file restart.F90.
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In domain parallel case each process reads a part of the file. At the end all the processes have the corresponding mesh part.
Definition at line 1337 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1434 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1476 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1518 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1560 of file restart.F90.
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Definition at line 1602 of file restart.F90.
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Definition at line 1630 of file restart.F90.
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Definition at line 1658 of file restart.F90.
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Definition at line 1685 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1712 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1726 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1740 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1754 of file restart.F90.
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Definition at line 1768 of file restart.F90.
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Definition at line 1782 of file restart.F90.
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Definition at line 1796 of file restart.F90.
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Definition at line 1809 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1897 of file restart.F90.
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In domain parallel case each process reads a part of the file. At the end all the processes have the corresponding mesh part.
Definition at line 1979 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2076 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2118 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2160 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2202 of file restart.F90.
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Definition at line 2244 of file restart.F90.
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Definition at line 2272 of file restart.F90.
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Definition at line 2300 of file restart.F90.
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Definition at line 2327 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2354 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2368 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2382 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2396 of file restart.F90.
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Definition at line 2410 of file restart.F90.
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Definition at line 2424 of file restart.F90.
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Definition at line 2438 of file restart.F90.
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Definition at line 2451 of file restart.F90.
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The data_types refer mainly to the run-mode of the calculation.
Definition at line 154 of file restart.F90.
integer, parameter, public restart_oct_m::restart_undefined = -1 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_all = 0 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_gs = 1 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_unocc = 2 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_td = 3 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_em_resp = 4 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_em_resp_fd = 5 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_kdotp = 6 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_vib_modes = 7 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_vdw = 8 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_casida = 9 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_oct = 10 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_partition = 11 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_proj = 12 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_iteration = 13 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_custom = 14 |
Definition at line 156 of file restart.F90.
integer, parameter, public restart_oct_m::restart_type_dump = 1 |
Definition at line 183 of file restart.F90.
integer, parameter, public restart_oct_m::restart_type_load = 2 |
Definition at line 183 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_states = 1 |
For each data type, we can write different information into the restart file, which are selected by the restart flags:
Definition at line 188 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_rho = 2 |
Definition at line 188 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_vhxc = 4 |
Definition at line 188 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_mix = 8 |
Definition at line 188 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_skip = 16 |
Definition at line 188 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_literal = 32 |
Definition at line 188 of file restart.F90.
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Definition at line 206 of file restart.F90.
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Information about the components for a given system.
These information build the template for constructing the actual restart paths for each object
Definition at line 296 of file restart.F90.