Line data Source code
1 : !--------------------------------------------------------------------------------------------------!
2 : ! CP2K: A general program to perform molecular dynamics simulations !
3 : ! Copyright 2000-2024 CP2K developers group <https://cp2k.org> !
4 : ! !
5 : ! SPDX-License-Identifier: GPL-2.0-or-later !
6 : !--------------------------------------------------------------------------------------------------!
7 :
8 : ! **************************************************************************************************
9 : !> \brief Defines the basic variable types
10 : !> \note
11 : !> Data type definitions; tested on:
12 : !> - IBM AIX xlf90
13 : !> - SGI IRIX f90
14 : !> - CRAY T3E f90
15 : !> - DEC ALPHA f90
16 : !> - NAG_F90
17 : !> - SUN
18 : !> - HITACHI
19 : !> \par History
20 : !> Adapted for CP2K by JGH
21 : !> \author Matthias Krack
22 : ! **************************************************************************************************
23 : MODULE kinds
24 :
25 : IMPLICIT NONE
26 :
27 : PRIVATE
28 : PUBLIC :: sp, dp, print_kind_info, dp_size, sp_size, int_size
29 : PUBLIC :: int_1, int_4, int_8, int_1_size, int_2_size, int_4_size, int_8_size
30 : PUBLIC :: real_4, real_8, real_4_size, real_8_size
31 : PUBLIC :: default_string_length, default_path_length, max_line_length
32 :
33 : INTEGER, PARAMETER :: sp = SELECTED_REAL_KIND(6, 30)
34 : INTEGER, PARAMETER :: dp = SELECTED_REAL_KIND(14, 200)
35 : ! we rely on this (libraries) but do not check this
36 : INTEGER, PARAMETER :: dp_size = 8, &
37 : int_size = BIT_SIZE(0)/8, &
38 : sp_size = 4
39 :
40 : INTEGER, PARAMETER :: real_4 = SELECTED_REAL_KIND(6, 30)
41 : INTEGER, PARAMETER :: real_8 = SELECTED_REAL_KIND(14, 200)
42 : INTEGER, PARAMETER :: real_4_size = 4
43 : INTEGER, PARAMETER :: real_8_size = 8
44 :
45 : INTEGER, PARAMETER :: int_1 = SELECTED_INT_KIND(2)
46 : INTEGER, PARAMETER :: int_1_size = BIT_SIZE(INT(0, int_1))/8
47 :
48 : INTEGER, PARAMETER :: int_2 = SELECTED_INT_KIND(4)
49 : INTEGER, PARAMETER :: int_2_size = BIT_SIZE(INT(0, int_2))/8
50 :
51 : INTEGER, PARAMETER :: int_4 = SELECTED_INT_KIND(5)
52 : INTEGER, PARAMETER :: int_4_size = BIT_SIZE(INT(0, int_4))/8
53 :
54 : INTEGER, PARAMETER :: int_8 = SELECTED_INT_KIND(10)
55 : INTEGER, PARAMETER :: int_8_size = BIT_SIZE(INT(0, int_8))/8
56 :
57 : INTEGER, PARAMETER :: default_string_length = 80
58 : INTEGER, PARAMETER :: default_path_length = 1024
59 : INTEGER, PARAMETER :: max_line_length = 2*default_path_length
60 : CHARACTER(LEN=1), PARAMETER, PUBLIC :: default_blank_character(2) = (/" ", CHAR(9)/)
61 :
62 : CONTAINS
63 :
64 : ! **************************************************************************************************
65 : !> \brief Print informations about the used data types.
66 : !> \param iw ...
67 : !> \par History
68 : !> Adapted by JGH for Cp2k
69 : !> \author Matthias Krack
70 : ! **************************************************************************************************
71 1 : SUBROUTINE print_kind_info(iw)
72 :
73 : INTEGER, INTENT(IN) :: iw
74 :
75 1 : WRITE (iw, '( /, T2, A )') 'DATA TYPE INFORMATION:'
76 :
77 : WRITE (iw, '( /,T2,A,T79,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8) )') &
78 1 : 'REAL: Data type name:', 'dp', ' Kind value:', KIND(0.0_dp), &
79 1 : ' Precision:', PRECISION(0.0_dp), &
80 1 : ' Smallest non-negligible quantity relative to 1:', &
81 1 : EPSILON(0.0_dp), &
82 1 : ' Smallest positive number:', TINY(0.0_dp), &
83 2 : ' Largest representable number:', HUGE(0.0_dp)
84 : WRITE (iw, '( /,T2,A,T79,A,2(/,T2,A,T75,I6),3(/,T2,A,T67,E14.8) )') &
85 1 : ' Data type name:', 'sp', ' Kind value:', KIND(0.0_sp), &
86 1 : ' Precision:', PRECISION(0.0_sp), &
87 1 : ' Smallest non-negligible quantity relative to 1:', &
88 1 : EPSILON(0.0_sp), &
89 1 : ' Smallest positive number:', TINY(0.0_sp), &
90 2 : ' Largest representable number:', HUGE(0.0_sp)
91 : WRITE (iw, '( /,T2,A,T72,A,4(/,T2,A,T61,I20) )') &
92 1 : 'INTEGER: Data type name:', '(default)', ' Kind value:', &
93 1 : KIND(0), &
94 1 : ' Bit size:', BIT_SIZE(0), &
95 2 : ' Largest representable number:', HUGE(0)
96 : WRITE (iw, '( /,T2,A,T72,A,/,T2,A,T75,I6,/ )') &
97 1 : 'LOGICAL: Data type name:', '(default)', &
98 2 : ' Kind value:', KIND(.TRUE.)
99 : WRITE (iw, '( /,T2,A,T72,A,/,T2,A,T75,I6,/ )') &
100 1 : 'CHARACTER: Data type name:', '(default)', &
101 2 : ' Kind value:', KIND('C')
102 :
103 1 : END SUBROUTINE print_kind_info
104 :
105 : END MODULE kinds
106 :
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