Initialize member variables of derived types (#806)

* Initialize member variables of derived types

src/block/dbcsr_block_access.F

@@ -119,15 +119,15 @@ MODULE dbcsr_block_access
    LOGICAL, PARAMETER, PRIVATE :: detailed_timing = .FALSE.
 
    TYPE block_parameters
-      LOGICAL :: tr
-      INTEGER :: logical_rows, logical_cols
-      INTEGER :: offset, nze
+      LOGICAL :: tr = .FALSE.
+      INTEGER :: logical_rows = -1, logical_cols = -1
+      INTEGER :: offset = -1, nze = -1
    END TYPE block_parameters
 
    TYPE dgemm_join
-      INTEGER :: p_a, p_b, p_c
-      INTEGER :: last_k, last_n
-      TYPE(dbcsr_scalar_type) :: alpha, beta
+      INTEGER :: p_a = -1, p_b = -1, p_c = -1
+      INTEGER :: last_k = -1, last_n = -1
+      TYPE(dbcsr_scalar_type) :: alpha = dbcsr_scalar_type(), beta = dbcsr_scalar_type()
    END TYPE dgemm_join
 
 CONTAINS

src/block/dbcsr_iterator_operations.F

@@ -71,15 +71,15 @@ MODULE dbcsr_iterator_operations
    LOGICAL, PARAMETER, PRIVATE :: detailed_timing = .FALSE.
 
    TYPE block_parameters
-      LOGICAL :: tr
-      INTEGER :: logical_rows, logical_cols
-      INTEGER :: offset, nze
+      LOGICAL :: tr = .FALSE.
+      INTEGER :: logical_rows = -1, logical_cols = -1
+      INTEGER :: offset = -1, nze = -1
    END TYPE block_parameters
 
    TYPE dgemm_join
-      INTEGER :: p_a, p_b, p_c
-      INTEGER :: last_k, last_n
-      TYPE(dbcsr_scalar_type) :: alpha, beta
+      INTEGER :: p_a = -1, p_b = -1, p_c = -1
+      INTEGER :: last_k = -1, last_n = -1
+      TYPE(dbcsr_scalar_type) :: alpha = dbcsr_scalar_type(), beta = dbcsr_scalar_type()
    END TYPE dgemm_join
 
 CONTAINS

src/core/dbcsr_config.F

@@ -99,7 +99,7 @@ MODULE dbcsr_config
 
    TYPE, ABSTRACT :: CONF_PAR
       CHARACTER :: source = 'D' ! Possible values are: D=Default, E=Environment, U=User code
-      CHARACTER(len=max_paramter_name_len) :: name
+      CHARACTER(len=max_paramter_name_len) :: name = ""
 
    CONTAINS
 
@@ -109,7 +109,7 @@ MODULE dbcsr_config
    END TYPE CONF_PAR
 
    TYPE, EXTENDS(CONF_PAR) :: CONF_PAR_INT
-      INTEGER :: val, defval
+      INTEGER :: val = -1, defval = -1
       LOGICAL :: ensure_positive = .TRUE.
 
    CONTAINS
@@ -119,7 +119,7 @@ MODULE dbcsr_config
    END TYPE CONF_PAR_INT
 
    TYPE, EXTENDS(CONF_PAR) :: CONF_PAR_MM_DRIVER
-      INTEGER :: val, defval
+      INTEGER :: val = -1, defval = -1
 
    CONTAINS
 
@@ -128,7 +128,7 @@ MODULE dbcsr_config
    END TYPE CONF_PAR_MM_DRIVER
 
    TYPE, EXTENDS(CONF_PAR) :: CONF_PAR_LOGICAL
-      LOGICAL :: val, defval
+      LOGICAL :: val = .FALSE., defval = .FALSE.
 
    CONTAINS
 
@@ -137,7 +137,7 @@ MODULE dbcsr_config
    END TYPE CONF_PAR_LOGICAL
 
    TYPE, EXTENDS(CONF_PAR) :: CONF_PAR_REAL
-      REAL(KIND=real_8) :: val, defval
+      REAL(KIND=real_8) :: val = -1, defval = -1
 
    CONTAINS
 

src/core/dbcsr_dict.F

@@ -31,15 +31,15 @@ MODULE dbcsr_dict
       PUBLIC :: dict_${keytype}$_${valuetype}$_item_type
    #:endfor
 
-   #:for keytype, valuetype, keytype_fort, valuetype_fort, key_assign, value_assign, isequal in inst_params
+   #:for keytype, valuetype, keytype_fort, valuetype_fort, key_assign, value_assign, isequal, default_key, default_value in inst_params
       !this is an internal type
       !Calculating hashes might be expensive, therefore they are stored
       !for use during change_capacity().
       TYPE private_item_type_${keytype}$_${valuetype}$
          PRIVATE
-         ${keytype_fort}$                            :: key
-         ${valuetype_fort}$                          :: value
-         INTEGER(KIND=int_8)                         :: hash
+         ${keytype_fort}$                            :: key ${key_assign}$${default_key}$
+         ${valuetype_fort}$                          :: value ${value_assign}$${default_value}$
+         INTEGER(KIND=int_8)                         :: hash = -1_int_8
          TYPE(private_item_type_${keytype}$_${valuetype}$), POINTER          :: next => Null()
       END TYPE private_item_type_${keytype}$_${valuetype}$
 
@@ -58,8 +58,8 @@ MODULE dbcsr_dict
 
       ! this is a public type, its returned by dict_items()
       TYPE dict_${keytype}$_${valuetype}$_item_type
-         ${keytype_fort}$        :: key
-         ${valuetype_fort}$      :: value
+         ${keytype_fort}$        :: key ${key_assign}$${default_key}$
+         ${valuetype_fort}$      :: value ${value_assign}$${default_value}$
       END TYPE dict_${keytype}$_${valuetype}$_item_type
    #:endfor
 
@@ -111,7 +111,7 @@ MODULE dbcsr_dict
       $:fct
    #:endfor
 
-   #:for keytype, valuetype, keytype_fort, valuetype_fort, key_assign, value_assign, isequal in inst_params
+   #:for keytype, valuetype, keytype_fort, valuetype_fort, key_assign, value_assign, isequal, default_key, default_value in inst_params
       SUBROUTINE dict_${keytype}$_${valuetype}$_init(dict, initial_capacity)
       !! Allocates the internal data-structures of the given dictionary.
 

src/core/dbcsr_dict.fypp

@@ -18,6 +18,8 @@
 #:set valuetype_fort = ['INTEGER(kind=int_4)', 'TYPE(call_stat_type), POINTER']
 #:set key_assign = ['=', '=']
 #:set value_assign = ['=', '=>']
+#:set default_key = ['""', '-1_int_4']
+#:set default_value = ['-1_int_4', 'NULL()']
 
 #:def isequal_str(k1, k2)
 ${k1}$ == ${k2}$
@@ -68,7 +70,7 @@ END FUNCTION hash_i4tuple
 #:set usetimings = ['call_stat_type']
 
 
-#:set inst_params = list(zip(keytype, valuetype, keytype_fort, valuetype_fort, key_assign, value_assign, isequal))
+#:set inst_params = list(zip(keytype, valuetype, keytype_fort, valuetype_fort, key_assign, value_assign, isequal, default_key, default_value))
 
 #:def uselist(list_in)
 #!    comma-separated list of unique entries of list_in

src/core/dbcsr_iter_types.F

@@ -30,13 +30,13 @@ MODULE dbcsr_iter_types
       !! contains the information about the current state of the program
       !! to be able to decide if output is necessary
 
-      INTEGER                              :: ref_count, id_nr
-      INTEGER                              :: print_level, n_rlevel
-      INTEGER, DIMENSION(:), POINTER       :: iteration
-      LOGICAL, DIMENSION(:), POINTER       :: last_iter
-      CHARACTER(len=default_string_length) :: project_name
+      INTEGER                              :: ref_count = -1, id_nr = -1
+      INTEGER                              :: print_level = -1, n_rlevel = -1
+      INTEGER, DIMENSION(:), POINTER       :: iteration => NULL()
+      LOGICAL, DIMENSION(:), POINTER       :: last_iter => NULL()
+      CHARACTER(len=default_string_length) :: project_name = ""
       CHARACTER(LEN=default_string_length), &
-         DIMENSION(:), POINTER           :: level_name
+         DIMENSION(:), POINTER           :: level_name => NULL()
    END TYPE dbcsr_iteration_info_type
 
 CONTAINS

src/core/dbcsr_log_handling.F

@@ -98,30 +98,30 @@ MODULE dbcsr_log_handling
       !! are public.
       !! DO NOT USE THE INTERNAL COMPONENTS DIRECTLY!!!
 
-      INTEGER :: id_nr, ref_count
+      INTEGER :: id_nr = -1, ref_count = -1
          !! unique number to identify the logger
          !! reference count (see cp2k/doc/ReferenceCounting.html)
-      INTEGER :: print_level
+      INTEGER :: print_level = -1
          !! the level starting at which something gets printed
-      INTEGER :: default_local_unit_nr
+      INTEGER :: default_local_unit_nr = -1
          !! default unit for local logging (-1 if not yet initialized). Local logging guarantee to each task its own file.
-      INTEGER :: default_global_unit_nr
+      INTEGER :: default_global_unit_nr = -1
          !! default unit for global logging (-1 if not yet initialized). This unit is valid only on the processor with
          !! %mp_env%mp%mynode==%mv_env%mp%source.
-      LOGICAL :: close_local_unit_on_dealloc, close_global_unit_on_dealloc
+      LOGICAL :: close_local_unit_on_dealloc = .FALSE., close_global_unit_on_dealloc = .FALSE.
          !! if the local unit should be closed when this logger is deallocated
          !! whether the global unit should be closed when this logger is deallocated
-      CHARACTER(len=default_string_length)  :: suffix
+      CHARACTER(len=default_string_length)  :: suffix = ""
          !! a short string that is used as suffix in all the filenames created by this logger. Can be used to guarantee the
          !! uniqueness of generated filename
-      CHARACTER(len=default_path_length)    :: local_filename, global_filename
+      CHARACTER(len=default_path_length)    :: local_filename = "", global_filename = ""
          !! the root of the name of the file used for local logging (can be different from the name of the file corresponding to
          !! default_local_unit_nr, only the one used if the unit needs to be opened)
          !! the root of the name of the file used for global logging (can be different from the name of the file corresponding to
          !! default_global_unit_nr, only the one used if the unit needs to be opened)
-      TYPE(dbcsr_mp_obj)                    :: mp_env
+      TYPE(dbcsr_mp_obj)                    :: mp_env = dbcsr_mp_obj()
          !! the parallel environment for the output.
-      TYPE(dbcsr_iteration_info_type), POINTER :: iter_info
+      TYPE(dbcsr_iteration_info_type), POINTER :: iter_info => NULL()
    END TYPE dbcsr_logger_type
 
    TYPE dbcsr_logger_p_type

src/core/dbcsr_timings_base_type.F

@@ -22,32 +22,32 @@ MODULE dbcsr_timings_base_type
    PRIVATE
 
    TYPE routine_stat_type
-      INTEGER       :: routine_id
-      CHARACTER(len=default_string_length) :: routineN
-      REAL(kind=dp) :: excl_walltime_accu
-      REAL(kind=dp) :: incl_walltime_accu
-      REAL(kind=dp) :: excl_energy_accu
-      REAL(kind=dp) :: incl_energy_accu
-      INTEGER       :: active_calls
-      INTEGER       :: total_calls
-      INTEGER       :: stackdepth_accu
-      LOGICAL       :: trace
+      INTEGER       :: routine_id = -1
+      CHARACTER(len=default_string_length) :: routineN = ""
+      REAL(kind=dp) :: excl_walltime_accu = -1.0_dp
+      REAL(kind=dp) :: incl_walltime_accu = -1.0_dp
+      REAL(kind=dp) :: excl_energy_accu = -1.0_dp
+      REAL(kind=dp) :: incl_energy_accu = -1.0_dp
+      INTEGER       :: active_calls = -1
+      INTEGER       :: total_calls = -1
+      INTEGER       :: stackdepth_accu = -1
+      LOGICAL       :: trace = .FALSE.
    END TYPE routine_stat_type
 
    TYPE call_stat_type
-      INTEGER       :: total_calls
-      REAL(kind=dp) :: incl_walltime_accu
-      REAL(kind=dp) :: incl_energy_accu
+      INTEGER       :: total_calls = -1
+      REAL(kind=dp) :: incl_walltime_accu = -1.0_dp
+      REAL(kind=dp) :: incl_energy_accu = -1.0_dp
    END TYPE call_stat_type
 
    TYPE callstack_entry_type
-      INTEGER       :: routine_id
-      REAL(kind=dp) :: walltime_start
-      REAL(kind=dp) :: energy_start
+      INTEGER       :: routine_id = -1
+      REAL(kind=dp) :: walltime_start = -1.0_dp
+      REAL(kind=dp) :: energy_start = -1.0_dp
    END TYPE callstack_entry_type
 
    TYPE routine_report_type
-      CHARACTER(LEN=default_string_length) :: routineN
+      CHARACTER(LEN=default_string_length) :: routineN = ""
       REAL(KIND=dp)                        :: max_icost = 0.0_dp
       REAL(KIND=dp)                        :: sum_icost = 0.0_dp
       REAL(KIND=dp)                        :: max_ecost = 0.0_dp

src/core/dbcsr_timings_types.F

@@ -22,15 +22,15 @@ MODULE dbcsr_timings_types
    PRIVATE
 
    TYPE timer_env_type
-      INTEGER                                          :: ref_count
-      TYPE(dict_str_i4_type)                           :: routine_names
-      TYPE(list_routinestat_type)                      :: routine_stats
-      TYPE(list_callstackentry_type)                   :: callstack
-      TYPE(dict_i4tuple_callstat_type)                 :: callgraph
-      INTEGER                                          :: trace_max
-      INTEGER                                          :: trace_unit
-      CHARACTER(len=13)                                :: trace_str
-      LOGICAL                                          :: trace_all
+      INTEGER                                          :: ref_count = -1
+      TYPE(dict_str_i4_type)                           :: routine_names = dict_str_i4_type()
+      TYPE(list_routinestat_type)                      :: routine_stats = list_routinestat_type()
+      TYPE(list_callstackentry_type)                   :: callstack = list_callstackentry_type()
+      TYPE(dict_i4tuple_callstat_type)                 :: callgraph = dict_i4tuple_callstat_type()
+      INTEGER                                          :: trace_max = -1
+      INTEGER                                          :: trace_unit = -1
+      CHARACTER(len=13)                                :: trace_str = ""
+      LOGICAL                                          :: trace_all = .FALSE.
    END TYPE timer_env_type
 
    PUBLIC :: timer_env_type