Octopus
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Data Types | |
interface | drestart_read_binary |
interface | drestart_write_binary |
interface | restart_block_signals |
from signals.c More... | |
type | restart_data_t |
interface | restart_read_mesh_function |
type | restart_t |
interface | restart_unblock_signals |
interface | restart_write_mesh_function |
interface | zrestart_read_binary |
interface | zrestart_write_binary |
Functions/Subroutines | |
logical function, public | clean_stop (comm) |
returns true if a file named stop exists More... | |
subroutine, public | restart_module_init (namespace) |
subroutine, public | restart_init (restart, namespace, data_type, type, mc, ierr, mesh, dir, exact) |
Initializes a restart object. More... | |
subroutine, public | restart_end (restart) |
character(len=max_path_len) function, public | restart_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, public | restart_open_dir (restart, dirname, ierr) |
Change the restart directory to dirname, where "dirname" is a subdirectory of the base restart directory. More... | |
subroutine, public | restart_close_dir (restart) |
Change back to the base directory. To be called after restart_open_dir. More... | |
subroutine, public | restart_mkdir (restart, dirname) |
Make directory "dirname" inside the current restart directory. More... | |
subroutine, public | restart_rm (restart, name) |
Remove directory or file "name" that is located inside the current restart directory. More... | |
integer function, public | restart_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, public | restart_write (restart, iunit, lines, nlines, ierr) |
subroutine, public | restart_read (restart, iunit, lines, nlines, ierr) |
subroutine, public | restart_close (restart, iunit) |
Close a file previously opened with restart_open. More... | |
logical pure function, public | restart_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, public | restart_has_flag (restart, flag) |
Returns true if... More... | |
logical pure function, public | restart_has_map (restart) |
Returns true if the restart was from a different order of mesh points. More... | |
logical pure function, public | restart_are_basedirs_equal (type1, type2) |
Returns true if... More... | |
integer pure function | restart_get_data_type (restart) |
Returns the data type of the restart. More... | |
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, 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 | restart_n_data_types = 12 |
integer, parameter, public | restart_type_dump = 1 |
integer, parameter, public | restart_type_load = 2 |
integer, parameter, public | restart_flag_states = 1 |
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 |
type(restart_data_t), dimension(restart_n_data_types) | info |
logical function, public restart_oct_m::clean_stop | ( | type(mpi_comm), intent(in) | comm | ) |
returns true if a file named stop exists
[in] | comm | communicator spanning all nodes that will call this function, i.e. not any slaves |
Definition at line 275 of file restart.F90.
subroutine, public restart_oct_m::restart_module_init | ( | type(namespace_t), intent(in) | namespace | ) |
Definition at line 307 of file restart.F90.
subroutine, public restart_oct_m::restart_init | ( | type(restart_t), intent(out) | restart, |
type(namespace_t), intent(in), target | namespace, | ||
integer, intent(in) | data_type, | ||
integer, intent(in) | type, | ||
type(multicomm_t), intent(in), target | mc, | ||
integer, intent(out) | ierr, | ||
class(mesh_t), intent(in), optional | mesh, | ||
character(len=*), intent(in), optional | dir, | ||
logical, intent(in), optional | exact | ||
) |
Initializes a restart object.
[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 515 of file restart.F90.
subroutine, public restart_oct_m::restart_end | ( | type(restart_t), intent(inout) | restart | ) |
Definition at line 721 of file restart.F90.
character(len=max_path_len) function, public restart_oct_m::restart_dir | ( | type(restart_t), intent(in) | 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.
Definition at line 756 of file restart.F90.
subroutine, public restart_oct_m::restart_open_dir | ( | type(restart_t), intent(inout) | restart, |
character(len=*), intent(in) | dirname, | ||
integer, intent(out) | ierr | ||
) |
Change the restart directory to dirname, where "dirname" is a subdirectory of the base restart directory.
Definition at line 771 of file restart.F90.
subroutine, public restart_oct_m::restart_close_dir | ( | type(restart_t), intent(inout) | restart | ) |
Change back to the base directory. To be called after restart_open_dir.
Definition at line 805 of file restart.F90.
subroutine, public restart_oct_m::restart_mkdir | ( | type(restart_t), intent(in) | restart, |
character(len=*), intent(in) | dirname | ||
) |
Make directory "dirname" inside the current restart directory.
Definition at line 820 of file restart.F90.
subroutine, public restart_oct_m::restart_rm | ( | type(restart_t), intent(in) | restart, |
character(len=*), intent(in) | name | ||
) |
Remove directory or file "name" that is located inside the current restart directory.
Definition at line 838 of file restart.F90.
integer function, public restart_oct_m::restart_open | ( | type(restart_t), intent(in) | restart, |
character(len=*), intent(in) | filename, | ||
character(len=*), intent(in), optional | status, | ||
character(len=*), intent(in), optional | position, | ||
logical, intent(in), optional | 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.
Definition at line 860 of file restart.F90.
subroutine, public restart_oct_m::restart_write | ( | type(restart_t), intent(in) | restart, |
integer, intent(in) | iunit, | ||
character(len=*), dimension(:), intent(in) | lines, | ||
integer, intent(in) | nlines, | ||
integer, intent(out) | ierr | ||
) |
Definition at line 907 of file restart.F90.
subroutine, public restart_oct_m::restart_read | ( | type(restart_t), intent(in) | restart, |
integer, intent(in) | iunit, | ||
character(len=*), dimension(:), intent(out) | lines, | ||
integer, intent(in) | nlines, | ||
integer, intent(out) | ierr | ||
) |
Definition at line 934 of file restart.F90.
subroutine, public restart_oct_m::restart_close | ( | type(restart_t), intent(in) | restart, |
integer, intent(inout) | iunit | ||
) |
Close a file previously opened with restart_open.
Definition at line 951 of file restart.F90.
logical pure function, public restart_oct_m::restart_skip | ( | type(restart_t), intent(in) | 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.
Definition at line 968 of file restart.F90.
logical pure function, public restart_oct_m::restart_has_flag | ( | type(restart_t), intent(in) | restart, |
integer, intent(in) | flag | ||
) |
Returns true if...
Definition at line 978 of file restart.F90.
logical pure function, public restart_oct_m::restart_has_map | ( | type(restart_t), intent(in) | restart | ) |
Returns true if the restart was from a different order of mesh points.
Definition at line 989 of file restart.F90.
logical pure function, public restart_oct_m::restart_are_basedirs_equal | ( | integer, intent(in) | type1, |
integer, intent(in) | type2 | ||
) |
Returns true if...
Definition at line 999 of file restart.F90.
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Returns the data type of the restart.
Definition at line 1008 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1084 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 1165 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1262 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1304 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1346 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1388 of file restart.F90.
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Definition at line 1430 of file restart.F90.
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Definition at line 1458 of file restart.F90.
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Definition at line 1486 of file restart.F90.
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Definition at line 1513 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1540 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1554 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1568 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1582 of file restart.F90.
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Definition at line 1596 of file restart.F90.
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Definition at line 1610 of file restart.F90.
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Definition at line 1624 of file restart.F90.
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Definition at line 1637 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1725 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 1806 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1903 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1945 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 1987 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2029 of file restart.F90.
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Definition at line 2071 of file restart.F90.
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Definition at line 2099 of file restart.F90.
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Definition at line 2127 of file restart.F90.
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Definition at line 2154 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2181 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2195 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2209 of file restart.F90.
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[in] | root | which process is going to write the data |
Definition at line 2223 of file restart.F90.
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Definition at line 2237 of file restart.F90.
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Definition at line 2251 of file restart.F90.
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Definition at line 2265 of file restart.F90.
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Definition at line 2278 of file restart.F90.
integer, parameter, public restart_oct_m::restart_undefined = -1 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_all = 0 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_gs = 1 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_unocc = 2 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_td = 3 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_em_resp = 4 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_em_resp_fd = 5 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_kdotp = 6 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_vib_modes = 7 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_vdw = 8 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_casida = 9 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_oct = 10 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_partition = 11 |
Definition at line 200 of file restart.F90.
integer, parameter, public restart_oct_m::restart_proj = 12 |
Definition at line 200 of file restart.F90.
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Definition at line 216 of file restart.F90.
integer, parameter, public restart_oct_m::restart_type_dump = 1 |
Definition at line 245 of file restart.F90.
integer, parameter, public restart_oct_m::restart_type_load = 2 |
Definition at line 245 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_states = 1 |
Definition at line 249 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_rho = 2 |
Definition at line 249 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_vhxc = 4 |
Definition at line 249 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_mix = 8 |
Definition at line 249 of file restart.F90.
integer, parameter, public restart_oct_m::restart_flag_skip = 16 |
Definition at line 249 of file restart.F90.
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Definition at line 256 of file restart.F90.