Refactor MPI file handle

cp2k · Dec 14, 2022 · 09b7866 · 09b7866
1 parent eb42053
commit 09b7866
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Showing 4 changed files with 138 additions and 116 deletions.
diff --git a/src/input/cp_output_handling.F b/src/input/cp_output_handling.F
@@ -53,7 +53,8 @@ MODULE cp_output_handling
    USE message_passing,                 ONLY: mp_file_close,&
                                               mp_file_delete,&
                                               mp_file_get_amode,&
-                                              mp_file_open
+                                              mp_file_open,&
+                                              mp_file_type
    USE string_utilities,                ONLY: compress,&
                                               s2a
 #include "../base/base_uses.f90"
@@ -821,13 +822,14 @@ FUNCTION cp_print_key_unit_nr(logger, basis_section, print_key_path, extension,
       CHARACTER(len=default_string_length)               :: my_file_action, my_file_form, &
                                                             my_file_position, my_file_status, &
                                                             outPath
-      INTEGER                                            :: c_i_level, f_backup_level, i, iounit, &
-                                                            mpi_amode, my_backup_level, my_nbak, &
-                                                            nbak, s_backup_level, unit_nr
+      INTEGER                                            :: c_i_level, f_backup_level, i, mpi_amode, &
+                                                            my_backup_level, my_nbak, nbak, &
+                                                            s_backup_level, unit_nr
       LOGICAL                                            :: do_log, found, my_do_backup, my_local, &
                                                             my_mpi_io, my_on_file, &
                                                             my_should_output, replace
       TYPE(cp_iteration_info_type), POINTER              :: iteration_info
+      TYPE(mp_file_type)                                 :: mp_unit
       TYPE(section_vals_type), POINTER                   :: print_key
 
       my_local = .FALSE.
@@ -968,9 +970,9 @@ FUNCTION cp_print_key_unit_nr(logger, basis_section, print_key_path, extension,
             ELSE
                IF (replace) CALL mp_file_delete(filename)
                CALL mp_file_open(groupid=logger%para_env%group, &
-                                 fh=iounit, filepath=filename, amode_status=mpi_amode)
+                                 fh=mp_unit, filepath=filename, amode_status=mpi_amode)
                IF (PRESENT(fout)) fout = filename
-               res = iounit
+               res = mp_unit%get_handle()
             END IF
             IF (do_log) THEN
                unit_nr = cp_logger_get_unit_nr(logger, local=my_local)
@@ -1020,6 +1022,7 @@ SUBROUTINE cp_print_key_finished_output(unit_nr, logger, basis_section, &
       CHARACTER(len=default_string_length)               :: outPath
       LOGICAL                                            :: my_local, my_mpi_io, my_on_file, &
                                                             my_should_output
+      TYPE(mp_file_type)                                 :: mp_unit
       TYPE(section_vals_type), POINTER                   :: print_key
 
       my_local = .FALSE.
@@ -1044,7 +1047,8 @@ SUBROUTINE cp_print_key_finished_output(unit_nr, logger, basis_section, &
             IF (.NOT. my_mpi_io) THEN
                CALL close_file(unit_nr, "KEEP")
             ELSE
-               CALL mp_file_close(unit_nr)
+               CALL mp_unit%set_handle(unit_nr)
+               CALL mp_file_close(mp_unit)
             END IF
             unit_nr = -1
          ELSE