1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
|
!-*- mode: F90; mode: font-lock; column-number-mode: true -*-!
! !
! Copyright (C) 2007-13 Jonathan Yates, Arash Mostofi, !
! Giovanni Pizzi, Young-Su Lee, !
! Nicola Marzari, Ivo Souza, David Vanderbilt !
! !
! This file is distributed under the terms of the GNU !
! General Public License. See the file `LICENSE' in !
! the root directory of the present distribution, or !
! http://www.gnu.org/copyleft/gpl.txt . !
! !
!------------------------------------------------------------!
#if defined HAVE_CONFIG_H
#include "config.h"
#endif
module w90_io
use w90_constants, only : dp
implicit none
private
#ifdef MPI
include 'mpif.h'
#endif
integer, public, save :: stdout
character(len=50), public, save :: seedname
integer, parameter, public :: maxlen = 120 ! Max column width of input file
logical, public, save :: post_proc_flag ! Set post_processing from cmd line
type timing_data
integer :: ncalls
real(kind=DP) :: ctime
real(kind=DP) :: ptime
character(len=60) :: label
end type timing_data
integer, parameter :: nmax = 100
type(timing_data) :: clocks(nmax)
integer, save :: nnames=0
public :: io_stopwatch
public :: io_print_timings
public :: io_get_seedname
public :: io_time
public :: io_date
public :: io_error
public :: io_file_unit
contains
!==================================================================!
subroutine io_stopwatch(tag,mode)
!==================================================================!
! Stopwatch to time parts of the code !
!==================================================================!
implicit none
character(len=*), intent(in) :: tag
integer, intent(in) :: mode
integer :: i
real(kind=dp) :: t
call cpu_time(t)
select case (mode)
case (1)
do i=1,nnames
if (clocks(i)%label .eq. tag) then
clocks(i)%ptime = t
clocks(i)%ncalls = clocks(i)%ncalls + 1
return
endif
enddo
nnames = nnames + 1
if (nnames.gt.nmax) call io_error('Maximum number of calls to io_stopwatch exceeded')
clocks(nnames)%label = tag
clocks(nnames)%ctime = 0.0_dp
clocks(nnames)%ptime = t
clocks(nnames)%ncalls = 1
case (2)
do i=1,nnames
if (clocks(i)%label .eq. tag) then
clocks(i)%ctime = clocks(i)%ctime + t - clocks(i)%ptime
return
endif
end do
write(stdout,'(1x,3a)') 'WARNING: name = ',trim(tag),' not found in io_stopwatch'
case default
write(stdout,*) ' Name = ',trim(tag),' mode = ',mode
call io_error('Value of mode not recognised in io_stopwatch')
end select
return
end subroutine io_stopwatch
!==================================================================!
subroutine io_print_timings()
!==================================================================!
! Output timing information to stdout
!==================================================================!
implicit none
integer :: i
write(stdout,'(/1x,a)') '*===========================================================================*'
write(stdout,'(1x,a)') '| TIMING INFORMATION |'
write(stdout,'(1x,a)') '*===========================================================================*'
write(stdout,'(1x,a)') '| Tag Ncalls Time (s)|'
write(stdout,'(1x,a)') '|---------------------------------------------------------------------------|'
do i=1,nnames
write(stdout,'(1x,"|",a50,":",i10,4x,f10.3,"|")') &
clocks(i)%label,clocks(i)%ncalls,clocks(i)%ctime
enddo
write(stdout,'(1x,a)') '*---------------------------------------------------------------------------*'
return
end subroutine io_print_timings
!==================================================================!
subroutine io_get_seedname ( )
!==================================================================!
! !
! Get the seedname from the commandline !
! Note iargc and getarg are not standard !
! Some platforms require them to be external or provide !
! equivalent routines. Not a problem in f2003! !
!===================================================================
#ifdef NAG
USE F90_UNIX_ENV, ONLY : IARGC,GETARG
#endif
implicit none
integer :: num_arg
#ifndef NAG
integer :: iargc
#endif
character(len=50) :: ctemp
post_proc_flag=.false.
num_arg=iargc()
if (num_arg==0) then
seedname='wannier'
elseif (num_arg==1) then
call getarg(1,seedname)
if( index(seedname,'-pp')>0 ) then
post_proc_flag=.true.
seedname='wannier'
end if
else
call getarg(1,seedname)
if( index(seedname,'-pp')>0 ) then
post_proc_flag=.true.
call getarg(2,seedname)
else
call getarg(2,ctemp)
if( index(ctemp,'-pp')>0 ) post_proc_flag=.true.
end if
end if
! If on the command line the whole seedname.win was passed, I strip the last ".win"
if (len(trim(seedname)).ge.5) then
if (seedname(len(trim(seedname))-4+1:).eq.".win") then
seedname = seedname(:len(trim(seedname))-4)
end if
end if
end subroutine io_get_seedname
!==================================================================!
subroutine io_error ( error_msg )
!==================================================================!
! !
! Aborts giving error message !
! !
!===================================================================
implicit none
character(len=*), intent(in) :: error_msg
#ifdef MPI
character(len=50) :: filename
integer :: stderr,ierr,whoami
call mpi_comm_rank(mpi_comm_world, whoami, ierr)
if(whoami>99999) then
write(filename,'(a,a,I0,a)')trim(seedname),'.node_',whoami,'.werr'
else
write(filename,'(a,a,I5.5,a)')trim(seedname),'.node_',whoami,'.werr'
endif
stderr=io_file_unit()
open(unit=stderr,file=trim(filename),form='formatted',err=105)
write(stderr, '(1x,a)') trim(error_msg)
close(stderr)
105 write(*,'(1x,a)') trim(error_msg)
106 write(*,'(1x,a,I0,a)') "Error on node ", &
whoami, ": examine the output/error files for details"
call MPI_abort(MPI_comm_world,1,ierr)
#else
write(stdout,*) 'Exiting.......'
write(stdout, '(1x,a)') trim(error_msg)
close(stdout)
write(*, '(1x,a)') trim(error_msg)
write(*,'(A)') "Error: examine the output/error file for details"
#endif
#ifdef EXIT_FLAG
call exit(1)
#else
STOP
#endif
end subroutine io_error
!==================================================================!
subroutine io_date(cdate, ctime)
!==================================================================!
! !
! Returns two strings containing the date and the time !
! in human-readable format. Uses a standard f90 call. !
! !
!===================================================================
implicit none
character (len=9), intent(out) :: cdate
character (len=9), intent(out) :: ctime
character(len=3), dimension(12) :: months
data months /'Jan','Feb','Mar','Apr','May','Jun', &
'Jul','Aug','Sep','Oct','Nov','Dec'/
integer date_time(8)
!
call date_and_time(values=date_time)
!
write (cdate,'(i2,a3,i4)') date_time(3), months(date_time(2)), date_time(1)
write (ctime,'(i2.2,":",i2.2,":",i2.2)') date_time(5), date_time(6), date_time(7)
end subroutine io_date
!==================================================================!
function io_time()
!==================================================================!
! !
! Returns elapsed CPU time in seconds since its first call !
! uses standard f90 call !
! !
!===================================================================
use w90_constants, only : dp
implicit none
real(kind=dp) :: io_time
! t0 contains the time of the first call
! t1 contains the present time
real(kind=dp) :: t0, t1
logical :: first=.true.
save first, t0
!
call cpu_time(t1)
!
if (first) then
t0 = t1
io_time = 0.0_dp
first = .false.
else
io_time = t1 - t0
endif
return
end function io_time
!==================================================================!
function io_file_unit()
!==================================================================!
! !
! Returns an unused unit number !
! (so we can open a file on that unit !
! !
!===================================================================
implicit none
integer :: io_file_unit,unit
logical :: file_open
unit = 9
file_open = .true.
do while ( file_open )
unit = unit + 1
inquire( unit, OPENED = file_open )
end do
io_file_unit = unit
return
end function io_file_unit
end module w90_io
|