59 integer,
parameter :: RESTART_N_DATA_TYPES = 14
61 integer,
parameter,
public :: &
62 RESTART_UNDEFINED = -1, &
81 character(len=20) :: tag
82 character(len=MAX_PATH_LEN) :: basedir
83 character(len=MAX_PATH_LEN) :: dir
88 integer,
parameter,
public :: &
89 RESTART_TYPE_DUMP = 1, &
93 integer,
parameter,
public :: &
94 RESTART_FLAG_STATES = 1, &
105 character(len=20) :: tag
106 character(len=MAX_PATH_LEN) :: dir
108 integer :: default_flags = 0
111 character(len=4),
parameter :: type_string(2) = (/
"DUMP",
"LOAD"/)
123 type(namespace_t),
pointer,
public :: namespace
124 integer :: data_type = restart_undefined
125 integer ::
type = restart_undefined
127 character(len=MAX_PATH_LEN) :: dir_
128 character(len=MAX_PATH_LEN) :: pwd
131 character(len=MAX_PATH_LEN),
public :: basedir
133 type(mpi_grp_t) ,
public :: mpi_grp
134 logical :: initialized = .false.
138 procedure,
private :: restart_basic_init
139 generic :: init => restart_basic_init
162 integer(int64),
allocatable :: map(:)
164 integer,
public :: file_format_states
175 procedure,
private :: drestart_read_mesh_function, zrestart_read_mesh_function
176 generic :: read_mesh_function => drestart_read_mesh_function, zrestart_read_mesh_function
224 subroutine block_signals()
226 end subroutine block_signals
231 subroutine unblock_signals()
233 end subroutine unblock_signals
240 type(mpi_comm),
intent(in) :: comm
243 logical :: file_exists
250 inquire(file=
'stop', exist=file_exists)
251 if (file_exists)
then
274 integer,
intent(in) :: data_type
275 integer,
intent(in) ::
type
277 integer,
intent(out) :: ierr
278 character(len=*),
optional,
intent(in) :: dir
281 character(len=MAX_PATH_LEN) :: basedir, dirname
282 integer :: iline, n_cols, idata_type, i
283 character(len=MAX_PATH_LEN) :: default_basedir
284 character(len=20) :: tag
286 logical :: restart_write, dir_exists
287 character(len=MAX_NAMESPACE_LEN) :: namespace_prefix
295 namespace_prefix = trim(namespace%get())
297 default_basedir = trim(
io_workdir())//
'/restart/'
298 restart%basedir = default_basedir
299 restart%skip_ = .false.
300 restart%data_type = data_type
301 if(data_type>0 .and. data_type<=restart_n_data_types)
then
302 restart%flags =
basic_info(data_type)%default_flags
307 if (data_type < restart_undefined .and. data_type > restart_n_data_types)
then
308 message(1) =
"Illegal data_type in restart_init"
311 restart%namespace => namespace
455 if (
parse_block(namespace,
'RestartOptions', blk) == 0)
then
462 if (idata_type < 0 .or. idata_type > restart_n_data_types)
then
463 call messages_input_error(namespace,
'RestartOptions',
"Invalid data type", row=iline-1, column=0)
465 if (data_type == 0)
then
469 if (idata_type == data_type .or. idata_type == 0)
then
474 namespace_prefix = namespace_prefix(1:len_trim(namespace_prefix)-len_trim(
'.RestartOptions'))
476 if (len_trim(namespace_prefix) == 0 .or. trim(namespace%get()) == trim(namespace_prefix))
then
477 namespace_prefix = trim(namespace%get())
481 namespace_prefix =
""
492 basedir = restart%basedir
495 do i=1, len(namespace_prefix)
496 if (namespace_prefix(i:i) ==
'.') namespace_prefix(i:i) =
'/'
500 basedir = trim(basedir)//trim(namespace_prefix)//
'/'
501 dirname = trim(
basic_info(restart%data_type)%dir)
505 select case (restart%type)
506 case (restart_type_dump)
518 restart%skip_ = .not. restart_write
520 if (restart%skip_)
then
521 message(1) =
'Restart information will not be written.'
527 restart%skip_ = .false.
530 message(1) =
"Unknown restart type in restart_init"
536 if (restart%data_type == restart_undefined)
then
543 restart%dir_ = trim(basedir)//trim(dirname)
545 if (index(restart%dir_,
'/', .
true.) == len_trim(restart%dir_))
then
546 restart%dir_ = restart%dir_(1:len_trim(restart%dir_)-1)
550 restart%pwd = restart%dir_
553 if (restart%mpi_grp%is_root())
then
555 if (restart%type == restart_type_dump .and. .not. dir_exists)
then
559 if (restart%mpi_grp%size > 1)
then
560 call restart%mpi_grp%bcast(dir_exists, 1, mpi_logical, 0)
563 if (restart%data_type == restart_undefined)
then
569 select case (restart%type)
570 case (restart_type_dump)
571 if (.not. restart%skip_)
then
572 message(1) =
"Info: "//trim(tag)//
" restart information will be written to '"//trim(restart%pwd)//
"'."
577 if (.not. dir_exists)
then
579 restart%skip_ = .
true.
581 message(1) =
"Info: Could not find '"//trim(restart%pwd)//
"' directory for restart."
582 message(2) =
"Info: No restart information will be read."
585 message(1) =
"Info: "//trim(tag)//
" restart information will be read from '"//trim(restart%pwd)//
"'."
591 restart%initialized = .
true.
600 res = restart%mpi_grp%is_root()
610 subroutine restart_init(restart, namespace, data_type, type, mc, ierr, mesh, dir, exact)
613 integer,
intent(in) :: data_type
614 integer,
intent(in) ::
type
617 integer,
intent(out) :: ierr
618 class(
mesh_t),
optional,
intent(in) :: mesh
620 character(len=*),
optional,
intent(in) :: dir
622 logical,
optional,
intent(in) :: exact
625 logical :: grid_changed, grid_reordered, exact_, with_changed_grid
635 restart%has_mesh =
present(mesh)
640 if (
present(exact) .and. .not.
present(mesh))
then
641 message(1) =
"Error in restart_init: the 'exact' optional argument requires a mesh."
647 restart%has_mesh =
present(mesh)
650 if(
present(mesh))
then
670 call parse_variable(namespace,
'RestartFileFormatStates', option__restartfileformatstates__obf, restart%file_format_states)
675 if (restart%file_format_states == option__restartfileformatstates__adios2)
then
679 message(1) =
"Error: adios2 restart file format requested, but not compiled against ADIOS2 library."
691 call parse_variable(namespace,
'RestartWithChangedGrid', .false., with_changed_grid)
693 select case (restart%type)
694 case (restart_type_dump)
695 if (.not. restart%skip_)
then
698 call index_dump(mesh%idx, mesh%np_part_global, restart%pwd, restart%mpi_grp, &
699 restart%namespace, ierr)
701 message(1) =
"Unable to write index map to '"//trim(restart%pwd)//
"'."
707 message(1) =
"Unable to write mesh fingerprint to '"//trim(restart%pwd)//
"/grid'."
713 if(.not. restart%skip_)
then
715 restart%mpi_grp, grid_changed, grid_reordered, restart%map, ierr)
720 message(1) =
"Unable to check mesh compatibility: unable to read mesh fingerprint"
721 message(2) =
"in '"//trim(restart%pwd)//
"'."
722 else if (ierr > 1)
then
723 message(1) =
"Mesh from current calculation is not compatible with mesh found in"
724 message(2) =
"'"//trim(restart%pwd)//
"'."
726 message(3) =
"No restart information will be read."
732 if (grid_changed)
then
733 if (grid_reordered)
then
734 message(1) =
"Info: Octopus is attempting to restart from a mesh with a different order of points."
736 message(1) =
"Info: Octopus is attempting to restart from a different mesh."
738 if (with_changed_grid)
then
741 message(2) =
"This is disabled. To enable this, set RestartWithChangedGrid=True."
748 restart%skip_ = grid_changed .and. .not. grid_reordered
749 if (restart%skip_)
then
750 message(1) =
"This calculation requires the exact same mesh to restart."
751 message(2) =
"No restart information will be read from '"//trim(restart%pwd)//
"'."
756 restart%skip_ = .false.
764 if (restart%mpi_grp%size > 1)
then
765 call restart%mpi_grp%barrier()
780 restart%data_type = 0
781 restart%skip_ = .
true.
789 class(
restart_t),
intent(inout) :: restart
793 if (restart%mpi_grp%is_root() .and. .not. restart%skip_)
then
794 select case (restart%type)
796 message(1) =
"Info: Finished reading information "//trim(
basic_info(restart%type)%tag)//
" from '"//trim(restart%dir_)//
"'."
797 call io_rm(trim(restart%pwd)//
"/loading")
798 case (restart_type_dump)
799 call io_rm(trim(restart%pwd)//
"/dumping")
800 message(1) =
"Info: Finished writing information "//trim(
basic_info(restart%type)%tag)//
" to '"//trim(restart%dir_)//
"'."
805 safe_deallocate_a(restart%map)
806 restart%has_mesh = .false.
824 character(len=MAX_PATH_LEN) :: restart_basic_dir
826 push_sub(restart_basic_dir)
830 pop_sub(restart_basic_dir)
839 character(len=*),
intent(in) :: dirname
840 integer,
intent(out) :: ierr
844 assert(.not. restart%skip_)
848 select case (restart%type)
849 case (restart_type_dump)
852 if (.not.
loct_dir_exists(trim(restart%dir_)//
"/"//trim(dirname)))
then
858 if (index(dirname,
'/', .
true.) == len_trim(dirname))
then
859 restart%pwd = trim(restart%dir_)//
"/"//dirname(1:len_trim(dirname)-1)
861 restart%pwd = trim(restart%dir_)//
"/"//trim(dirname)
876 assert(.not. restart%skip_)
878 restart%pwd = restart%dir_
888 character(len=*),
intent(in) :: dirname
892 assert(.not. restart%skip_)
894 assert(restart%type == restart_type_dump)
896 call io_mkdir(trim(restart%pwd)//
"/"//trim(dirname), parents=.
true.)
906 character(len=*),
intent(in) :: name
908 assert(.not. restart%skip_)
909 assert(restart%type == restart_type_dump)
913 call io_rm(trim(restart%pwd)//
"/"//trim(name))
928 character(len=*),
intent(in) :: filename
929 character(len=*),
optional,
intent(in) :: status
930 character(len=*),
optional,
intent(in) :: position
931 logical,
optional,
intent(in) :: silent
932 integer :: restart_basic_open
935 character(len=20) :: action, status_
937 push_sub(restart_basic_open)
939 assert(restart%initialized)
940 assert(.not. restart%skip_)
942 select case (restart%type)
943 case (restart_type_dump)
954 message(1) =
"Error in restart_basic_open: illegal restart type"
958 if (
present(status)) status_ = status
960 restart_basic_open =
io_open(trim(restart%pwd)//
"/"//trim(filename), &
961 action=trim(action), status=trim(status_), &
962 die=die, position=position, form=
"formatted", grp=restart%mpi_grp)
964 if (restart_basic_open == -1 .and. .not.
optional_default(silent, .false.))
then
965 message(1) =
"Unable to open file '"//trim(restart%pwd)//
"/"//trim(filename)//
"'."
969 pop_sub(restart_basic_open)
976 integer,
intent(in) :: iunit
977 character(len=*),
intent(in) :: lines(:)
978 integer,
intent(in) :: nlines
979 integer,
intent(out) :: ierr
985 if (iunit /= -1)
then
987 if (restart%mpi_grp%is_root())
then
989 write(iunit,
"(a)") trim(lines(iline))
1003 integer,
intent(in) :: iunit
1004 character(len=*),
intent(out) :: lines(:)
1005 integer,
intent(in) :: nlines
1006 integer,
intent(out) :: ierr
1010 call iopar_read(restart%mpi_grp, iunit, lines, nlines, ierr)
1020 integer,
intent(inout) :: iunit
1024 if (iunit /= -1)
call io_close(iunit, restart%mpi_grp)
1026 call restart%mpi_grp%barrier()
1049 integer,
intent(in) :: flag
1076 character(:),
allocatable :: info
1085 character(:),
allocatable :: info
1093#include "restart_inc.F90"
1096#include "complex.F90"
1097#include "restart_inc.F90"
block signals while writing the restart files
unblock signals when writing restart is finished
This module implements batches of mesh functions.
This module handles the calculation mode.
character(len= *), parameter, public em_resp_fd_dir
character(len= *), parameter, public gs_dir
character(len= *), parameter, public iteration_dir
character(len= *), parameter, public casida_dir
character(len= *), parameter, public vib_modes_dir
character(len= *), parameter, public partition_dir
character(len= *), parameter, public kdotp_dir
character(len= *), parameter, public em_resp_dir
character(len= *), parameter, public td_dir
character(len= *), parameter, public vdw_dir
character(len= *), parameter, public oct_dir
This module implements the index, used for the mesh points.
subroutine, public index_dump(idx, np, dir, mpi_grp, namespace, ierr)
subroutine, public io_close(iunit, grp)
subroutine, public iopar_read(grp, iunit, lines, n_lines, ierr)
character(len=max_path_len) function, public io_workpath(path, namespace)
construct path name from given name and namespace
subroutine, public io_rm(fname, namespace)
character(len=max_path_len) function, public io_workdir()
construct working directory
subroutine, public io_mkdir(fname, namespace, parents)
logical function, public io_dir_exists(dir, namespace)
Returns true if a dir with name 'dir' exists.
integer function, public io_open(file, namespace, action, status, form, position, die, recl, grp)
logical function, public loct_dir_exists(dirname)
This module defines functions over batches of mesh functions.
This module defines the meshes, which are used in Octopus.
subroutine, public mesh_check_dump_compatibility(mesh, dir, filename, namespace, mpi_grp, grid_changed, grid_reordered, map, ierr)
subroutine, public mesh_write_fingerprint(mesh, dir, filename, mpi_grp, namespace, ierr)
subroutine, public messages_warning(no_lines, all_nodes, namespace)
subroutine, public messages_obsolete_variable(namespace, name, rep)
character(len=256), dimension(max_lines), public message
to be output by fatal, warning
subroutine, public messages_fatal(no_lines, only_root_writes, namespace)
subroutine, public messages_input_error(namespace, var, details, row, column)
subroutine, public messages_info(no_lines, iunit, debug_only, stress, all_nodes, namespace)
type(mpi_comm), parameter, public mpi_comm_undefined
used to indicate a communicator has not been initialized
type(mpi_grp_t), public mpi_world
subroutine mpi_grp_init(grp, comm)
Initialize MPI group instance.
This module handles the communicators for the various parallelization strategies.
type(namespace_t), public global_namespace
Some general things and nomenclature:
character(len=:) function, allocatable, public parse_get_full_name(namespace, varname)
Given a namespace and a variable name, this function will iterate over all namespace ancestors contai...
integer function, public parse_block(namespace, name, blk, check_varinfo_)
subroutine zrestart_write_binary3_int32(restart, filename, np, ff, ierr, root)
subroutine drestart_write_binary1_int32(restart, filename, np, ff, ierr, root)
subroutine drestart_read_binary3(restart, filename, np, ff, ierr)
logical pure function restart_has_map(restart)
Returns true if the restart was from a different order of mesh points.
integer, parameter, public restart_partition
integer, parameter, public restart_custom
subroutine drestart_write_binary5(restart, filename, np, ff, ierr, root)
subroutine restart_basic_end(restart)
subroutine restart_basic_open_dir(restart, dirname, ierr)
Change the restart directory to dirname, where "dirname" is a subdirectory of the base restart direct...
subroutine restart_basic_mkdir(restart, dirname)
Make directory "dirname" inside the current restart directory.
integer, parameter, public restart_all
subroutine restart_basic_close(restart, iunit)
Close a file previously opened with restart_basic_open.
subroutine drestart_read_binary1(restart, filename, np, ff, ierr)
subroutine zrestart_write_mesh_function(restart, space, filename, mesh, ff, ierr, root)
subroutine restart_basic_close_dir(restart)
Change back to the base directory. To be called after restart_basic_open_dir.
subroutine zrestart_write_binary1(restart, filename, np, ff, ierr, root)
integer, parameter, public restart_casida
subroutine zrestart_write_binary5_int32(restart, filename, np, ff, ierr, root)
logical function, public clean_stop(comm)
returns true if a file named stop exists
subroutine zrestart_read_binary5_int32(restart, filename, np, ff, ierr)
integer, parameter, public restart_kdotp
subroutine zrestart_read_binary3(restart, filename, np, ff, ierr)
integer, parameter, public restart_oct
subroutine drestart_read_binary3_int32(restart, filename, np, ff, ierr)
type(restart_basic_data_t), dimension(restart_undefined:restart_n_data_types), parameter basic_info
Information about the components for a given system.
subroutine zrestart_read_binary3_int32(restart, filename, np, ff, ierr)
subroutine drestart_read_binary2(restart, filename, np, ff, ierr)
integer, parameter, public restart_gs
subroutine zrestart_read_binary1_int32(restart, filename, np, ff, ierr)
integer, parameter, public restart_iteration
subroutine drestart_write_binary3(restart, filename, np, ff, ierr, root)
integer, parameter, public restart_flag_mix
subroutine drestart_write_binary3_int32(restart, filename, np, ff, ierr, root)
subroutine zrestart_write_binary1_int32(restart, filename, np, ff, ierr, root)
subroutine restart_init(restart, namespace, data_type, type, mc, ierr, mesh, dir, exact)
Initializes a specific restart object.
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,...
integer, parameter, public restart_flag_skip
integer, parameter, public restart_em_resp_fd
subroutine drestart_read_binary2_int32(restart, filename, np, ff, ierr)
subroutine drestart_write_binary5_int32(restart, filename, np, ff, ierr, root)
subroutine restart_basic_rm(restart, name)
Remove directory or file "name" that is located inside the current restart directory.
subroutine restart_end(restart)
integer, parameter, public restart_proj
subroutine zrestart_read_binary1(restart, filename, np, ff, ierr)
integer, parameter, public restart_flag_rho
integer, parameter, public restart_em_resp
integer, parameter, public restart_vib_modes
subroutine drestart_write_binary1(restart, filename, np, ff, ierr, root)
subroutine drestart_read_binary1_int32(restart, filename, np, ff, ierr)
subroutine zrestart_write_binary5(restart, filename, np, ff, ierr, root)
integer, parameter, public restart_flag_vhxc
logical pure function restart_basic_has_flag(restart, flag)
Returns true if...
subroutine restart_basic_write(restart, iunit, lines, nlines, ierr)
integer, parameter, public restart_flag_literal
subroutine drestart_read_binary5_int32(restart, filename, np, ff, ierr)
subroutine drestart_write_binary2(restart, filename, np, ff, ierr, root)
subroutine drestart_read_binary5(restart, filename, np, ff, ierr)
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...
subroutine zrestart_write_binary2_int32(restart, filename, np, ff, ierr, root)
character(len=4), dimension(2), parameter type_string
logical pure function restart_basic_skip(restart)
Returns true if the restart information should neither be read nor written. This might happen because...
integer, parameter, public restart_td
integer, parameter, public restart_type_load
character(:) function, allocatable restart_basic_get_info(restart)
subroutine restart_basic_read(restart, iunit, lines, nlines, ierr)
subroutine zrestart_read_binary2(restart, filename, np, ff, ierr)
integer pure function restart_basic_get_data_type(restart)
Returns the data type of the restart.
integer, parameter, public restart_vdw
subroutine zrestart_read_binary5(restart, filename, np, ff, ierr)
subroutine zrestart_write_binary2(restart, filename, np, ff, ierr, root)
subroutine drestart_write_mesh_function(restart, space, filename, mesh, ff, ierr, root)
integer, parameter, public restart_unocc
subroutine zrestart_write_binary3(restart, filename, np, ff, ierr, root)
subroutine zrestart_read_binary2_int32(restart, filename, np, ff, ierr)
logical function restart_basic_do_i_write(restart)
character(:) function, allocatable restart_get_info(restart)
subroutine restart_basic_init(restart, namespace, data_type, type, ierr, dir)
subroutine drestart_write_binary2_int32(restart, filename, np, ff, ierr, root)
subroutine, public add_last_slash(str)
Adds a '/' in the end of the string, only if it missing. Useful for directories.
This module defines the unit system, used for input and output.
Describes mesh distribution to nodes.
Stores all communicators and groups.
restart_basic_data_t stores global information about a specific component we want to save....
restart_basic_t stores the basic information about a restart object.