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1 : !!****m* ABINIT/m_multibinit_main2
2 : !! NAME
3 : !! m_multibinit_main2
4 : !!
5 : !! FUNCTION
6 : !! multibinit_main2 is the main function of multibinit. It runs after
7 : !! the filenames from files file is read. It then does everything else.
8 : !!
9 : !! Datatypes:
10 : !!
11 : !!
12 : !! Subroutines:
13 : !! multibinit_main2
14 : !!
15 : !!
16 : !! COPYRIGHT
17 : !! Copyright (C) 2001-2026 ABINIT group (hexu)
18 : !! This file is distributed under the terms of the
19 : !! GNU General Public License, see ~abinit/COPYING
20 : !! or http://www.gnu.org/copyleft/gpl.txt .
21 : !! For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
22 : !!
23 : !! SOURCE
24 :
25 : #if defined HAVE_CONFIG_H
26 : #include "config.h"
27 : #endif
28 :
29 : #include "abi_common.h"
30 : module m_multibinit_main2
31 : use defs_basis
32 : use defs_abitypes
33 : use m_xmpi
34 : use m_xomp
35 : use m_abicore
36 : use m_errors
37 : use m_build_info, only: abinit_version, build_target
38 : use m_multibinit_manager, only: mb_manager_t
39 :
40 : implicit none
41 :
42 : !!***
43 : contains
44 :
45 : !!****f* m_multibinit_main2/multibinit_main2
46 : !!
47 : !! NAME
48 : !! multibinit_main2
49 : !!
50 : !! FUNCTION
51 : !! The main function
52 : !!
53 : !! INPUTS
54 : !! filnam: file names from files file
55 : !!
56 : !! OUTPUT
57 : !!
58 : !! SOURCE
59 6 : subroutine multibinit_main2(input_path, filnam, dry_run)
60 : character(len=fnlen), intent(inout) :: input_path
61 : character(len=fnlen), intent(inout) :: filnam(18)
62 : integer, intent(in) :: dry_run
63 18 : type(mb_manager_t) :: manager
64 6 : call manager%run_all(input_path, filnam, dry_run)
65 6 : end subroutine multibinit_main2
66 : !!***
67 :
68 :
69 : !!****f* m_multibinit_main/herald_multibinit
70 : !! NAME
71 : !! herald_multibinit
72 : !!
73 : !! FUNCTION
74 : !! Prints out a message to unit iout giving info about current
75 : !! code, version of code, platform, and starting date.
76 : !! Modified from m_special_msg.F90/herald
77 : !!
78 : !! INPUTS
79 : !! code_name= code name
80 : !! code_version= code version
81 : !! iout=unit number for output
82 : !!
83 : !! OUTPUT
84 : !! (only writing)
85 : !!
86 : !! SOURCE
87 :
88 98 : subroutine herald_multibinit(code_name,code_version,iout, lattmode)
89 :
90 : !Arguments ------------------------------------
91 : integer,intent(in) :: iout
92 : character(len=*),intent(in) :: code_name
93 : character(len=*),intent(in) :: code_version
94 : logical, intent(in) :: lattmode ! 1 lattice, 0 other
95 :
96 : !Local variables-------------------------------
97 : integer :: day,dd,ja,jy,jm,jdn,mm,mm_rel,year,year_rel
98 : integer :: values(8)
99 : character(len=5) :: strzone
100 : character(len=8) :: strdat
101 : character(len=10) :: strtime
102 : character(len=500) :: msg
103 : character(len=3),parameter :: day_names(7)=(/'Mon','Tue','Wed','Thu','Fri','Sat','Sun'/)
104 : character(len=3),parameter :: month_names(12)=(/'Jan','Feb','Mar','Apr','May','Jun',&
105 : 'Jul','Aug','Sep','Oct','Nov','Dec'/)
106 :
107 : ! *************************************************************************
108 :
109 : !RELEASE TIME FROM ABIRULES
110 98 : year_rel=2022
111 98 : mm_rel=07
112 : !END OF RELEASE TIME
113 :
114 : write(iout, '(a,/,a,/,a,/,a)' ) &
115 98 : '******************************************************************************************', &
116 98 : ' Welcome to MULTIBINIT, ', &
117 98 : ' a software platform designed for the construction and use of second-principles models', &
118 196 : ' for lattice, spin and electron degrees of freedom.'
119 :
120 :
121 : !The technique used hereafter is the only one that we have found to obtain
122 : !perfect transferability across platforms and OS.
123 98 : write(iout, '(/,a,a,a,a,a)' ) '.Version ',trim(code_version),' of ',trim(code_name),' '
124 : #if defined HAVE_MPI
125 98 : write(iout, '(a,a,a,/)' ) '.(MPI version, prepared for a ',build_target,' computer) '
126 : #else
127 : write(iout, '(a,a,a,/)' ) '.(sequential version, prepared for a ',build_target,' computer) '
128 : #endif
129 :
130 :
131 :
132 : !GNU GPL license
133 : write(iout, '(a,/,a,a,a,/,a,/,a,/,a,/)' ) &
134 98 : '.Copyright (C) 1998-2026 ABINIT group . ',&
135 98 : ' ',trim(code_name),' comes with ABSOLUTELY NO WARRANTY.',&
136 98 : ' It is free software, and you are welcome to redistribute it',&
137 98 : ' under certain conditions (GNU General Public License,',&
138 196 : ' see ~abinit/COPYING or http://www.gnu.org/copyleft/gpl.txt).'
139 :
140 :
141 98 : if(.not. lattmode) then
142 : write(iout, '(a,/,a,/,a,/,a,/,a,/)' ) &
143 12 : ' ABINIT is a project of the Universite Catholique de Louvain,',&
144 12 : ' Corning Inc. and other collaborators, see ~abinit/doc/developers/contributors.txt .',&
145 12 : ' Please read https://docs.abinit.org/theory/acknowledgments for suggested',&
146 12 : ' acknowledgments of the ABINIT effort.',&
147 24 : ' For more information, see https://www.abinit.org .'
148 : endif
149 :
150 : write(iout, '(a,/,a,/)' ) &
151 98 : ' MULTIBINIT is a software project of the University of Liege', &
152 196 : ' (PHYTHEMA & NANOMAT groups), in collaboration with other partners.'
153 :
154 98 : if (lattmode) then
155 : write(iout, '(a,/,/,a,/,/,a,/, a,/,/, a,/, a,/, a,/,/, a,/,/, a/,/)' ) &
156 86 : '-----------------------------------------------------------------------------------------', &
157 86 : ' MULTIBINIT - LATTICE MODELS ', &
158 86 : ' Project initiated and coordinated by Philippe GHOSEZ and his group at ULiege', &
159 86 : ' (Philippe.Ghosez@uliege.be).', &
160 86 : ' Main contributors: Alexandre MARTIN, Jordan BIEDER, Michael Marcus SCHMITT,', &
161 86 : ' Louis BASTOGNE, Xu HE, Alireza SASANI, Huazhang ZHANG, Subhadeep BANDYOPADHYAY,', &
162 86 : ' Philippe GHOSEZ.', &
163 86 : ' Technical support: Xu HE (X.He@uliege.be)', &
164 172 : '*****************************************************************************************'
165 : else
166 : write(iout, '(a,/)' ) &
167 12 : '*****************************************************************************************'
168 : end if
169 :
170 :
171 :
172 : !Get year, month and day
173 98 : call date_and_time(strdat,strtime,strzone,values)
174 98 : year=values(1)
175 98 : mm=values(2)
176 98 : dd=values(3)
177 :
178 : !Get day of the week
179 98 : if (mm.gt.2) then
180 98 : jy=year
181 98 : jm=mm+1
182 : else
183 0 : jy=year-1
184 0 : jm=mm+13
185 : end if
186 98 : jdn=int(365.25d0*jy)+int(30.6001d0*jm)+dd+1720995
187 98 : ja=int(0.01d0*jy)
188 98 : jdn=jdn+2-ja+int(quarter*ja)
189 98 : day=mod(jdn,7)+1
190 :
191 : !Print date in nice format (* new format *)
192 : write(iout, '(/,a,a,1x,i2,1x,a,1x,i4,a,/,a,i2.2,a,i2.2,a)' ) &
193 98 : '.Starting date : ',day_names(day),dd,month_names(mm),year,'.','- ( at ',values(5),'h',values(6),' )'
194 98 : write(iout,*)' '
195 :
196 : !Impose a maximal life cycle of 3 years
197 98 : if(year>year_rel+3 .or. (year==year_rel+3 .and. mm>mm_rel) ) then
198 : write(msg, '(5a,i4,5a)' )&
199 98 : '- The starting date is more than 3 years after the initial release',ch10,&
200 98 : '- of this version of ABINIT, namely ',month_names(mm_rel),' ',year_rel,'.',ch10,&
201 98 : '- This version of ABINIT is not supported anymore.',ch10,&
202 196 : '- Action: please, switch to a more recent version of ABINIT.'
203 98 : call wrtout(iout,msg,'COLL')
204 :
205 : ! Gives a warning beyond 2 years
206 0 : else if(year>year_rel+2 .or. (year==year_rel+2 .and. mm>mm_rel) ) then
207 : write(msg, '(5a,i4,6a)' )&
208 0 : '- The starting date is more than 2 years after the initial release',ch10,&
209 0 : '- of this version of ABINIT, namely ',month_names(mm_rel),' ',year_rel,'.',ch10,&
210 0 : '- Note that the use beyond 3 years after the release will not be supported.',ch10,&
211 0 : '- Action: please, switch to a more recent version of ABINIT.',ch10
212 0 : call wrtout(iout,msg,'COLL')
213 : end if
214 :
215 98 : end subroutine herald_multibinit
216 : !!***
217 :
218 :
219 :
220 : end module m_multibinit_main2
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