test_real.F90 10.7 KB
Newer Older
1
2
!    This file is part of ELPA.
!
3
!    The ELPA library was originally created by the ELPA consortium,
4
5
!    consisting of the following organizations:
!
6
7
!    - Max Planck Computing and Data Facility (MPCDF), formerly known as
!      Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG),
8
9
10
!    - Bergische Universität Wuppertal, Lehrstuhl für angewandte
!      Informatik,
!    - Technische Universität München, Lehrstuhl für Informatik mit
11
12
13
14
15
!      Schwerpunkt Wissenschaftliches Rechnen ,
!    - Fritz-Haber-Institut, Berlin, Abt. Theorie,
!    - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
!      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
!      and
16
17
18
19
!    - IBM Deutschland GmbH
!
!
!    More information can be found here:
20
!    http://elpa.mpcdf.mpg.de/
21
22
!
!    ELPA is free software: you can redistribute it and/or modify
23
24
!    it under the terms of the version 3 of the license of the
!    GNU Lesser General Public License as published by the Free
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
!    Software Foundation.
!
!    ELPA is distributed in the hope that it will be useful,
!    but WITHOUT ANY WARRANTY; without even the implied warranty of
!    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
!    GNU Lesser General Public License for more details.
!
!    You should have received a copy of the GNU Lesser General Public License
!    along with ELPA.  If not, see <http://www.gnu.org/licenses/>
!
!    ELPA reflects a substantial effort on the part of the original
!    ELPA consortium, and we ask you to respect the spirit of the
!    license that we chose: i.e., please contribute any changes you
!    may have back to the original ELPA library distribution, and keep
!    any derivatives of ELPA under the same license that we chose for
!    the original distribution, the GNU Lesser General Public License.
!
!
#include "config-f90.h"
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
!>
!> Fortran test programm to demonstrates the use of
!> ELPA 1 real case library.
!> If "HAVE_REDIRECT" was defined at build time
!> the stdout and stderr output of each MPI task
!> can be redirected to files if the environment
!> variable "REDIRECT_ELPA_TEST_OUTPUT" is set
!> to "true".
!>
!> By calling executable [arg1] [arg2] [arg3] [arg4]
!> one can define the size (arg1), the number of
!> Eigenvectors to compute (arg2), and the blocking (arg3).
!> If these values are not set default values (4000, 1500, 16)
!> are choosen.
!> If these values are set the 4th argument can be
!> "output", which specifies that the EV's are written to
!> an ascii file.
!>
62
program test_real_double_precision
63
64
65
66
67
68

!-------------------------------------------------------------------------------
! Standard eigenvalue problem - REAL version
!
! This program demonstrates the use of the ELPA module
! together with standard scalapack routines
69
!
70
71
72
73
74
75
! Copyright of the original code rests with the authors inside the ELPA
! consortium. The copyright of any additional modifications shall rest
! with their original authors, but shall adhere to the licensing terms
! distributed along with the original code in the file "COPYING".
!
!-------------------------------------------------------------------------------
76
   use precision
77
   use ELPA1
78
   use elpa_utilities, only : error_unit
79
80
81
#ifdef WITH_OPENMP
   use test_util
#endif
82

Andreas Marek's avatar
Andreas Marek committed
83
84
85
86
87
88
   use mod_read_input_parameters
   use mod_check_correctness
   use mod_setup_mpi
   use mod_blacs_infrastructure
   use mod_prepare_matrix

89
   use elpa_mpi
90
#ifdef HAVE_REDIRECT
91
   use redirect
92
#endif
93
#ifdef HAVE_DETAILED_TIMINGS
94
  use timings
95
#endif
96
  use output_types
97

98
99
100
101
102
103
104
105
   implicit none

   !-------------------------------------------------------------------------------
   ! Please set system size parameters below!
   ! na:   System size
   ! nev:  Number of eigenvectors to be calculated
   ! nblk: Blocking factor in block cyclic distribution
   !-------------------------------------------------------------------------------
106
107
   integer(kind=ik)           :: nblk
   integer(kind=ik)           :: na, nev
108

109
   integer(kind=ik)           :: np_rows, np_cols, na_rows, na_cols
110

111
112
   integer(kind=ik)           :: myid, nprocs, my_prow, my_pcol, mpi_comm_rows, mpi_comm_cols
   integer(kind=ik)           :: i, mpierr, my_blacs_ctxt, sc_desc(9), info, nprow, npcol
113

114
   integer(kind=ik), external :: numroc
115

116
   real(kind=rk8), allocatable :: a(:,:), z(:,:), tmp1(:,:), tmp2(:,:), as(:,:), ev(:)
117

118
   integer(kind=ik)           :: iseed(4096) ! Random seed, size should be sufficient for every generator
119

120
   integer(kind=ik)           :: STATUS
121
#ifdef WITH_OPENMP
122
123
   integer(kind=ik)           :: omp_get_max_threads,  required_mpi_thread_level, &
                                 provided_mpi_thread_level
124
#endif
125
   type(output_t)             :: write_to_file
126
   logical                    :: success
127
128
   character(len=8)           :: task_suffix
   integer(kind=ik)           :: j
129
   !-------------------------------------------------------------------------------
130

131
132
#define DOUBLE_PRECISION_REAL 1

133
   success = .true.
134

Andreas Marek's avatar
Andreas Marek committed
135
   call read_input_parameters(na, nev, nblk, write_to_file)
136
137
138

   !-------------------------------------------------------------------------------
   !  MPI Initialization
Andreas Marek's avatar
Andreas Marek committed
139
   call setup_mpi(myid, nprocs)
140

141
142
   STATUS = 0

Andreas Marek's avatar
Andreas Marek committed
143
#define REALCASE
144
#define ELPA1
145
#include "elpa_print_headers.X90"
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

#ifdef HAVE_DETAILED_TIMINGS

   ! initialise the timing functionality

#ifdef HAVE_LIBPAPI
   call timer%measure_flops(.true.)
#endif

   call timer%measure_allocated_memory(.true.)
   call timer%measure_virtual_memory(.true.)
   call timer%measure_max_allocated_memory(.true.)

   call timer%set_print_options(&
#ifdef HAVE_LIBPAPI
                print_flop_count=.true., &
                print_flop_rate=.true., &
#endif
                print_allocated_memory = .true. , &
                print_virtual_memory=.true., &
                print_max_allocated_memory=.true.)


  call timer%enable()

171
  call timer%start("program: test_real_double_precision")
172
#endif
173

174
175
176
   do np_cols = NINT(SQRT(REAL(nprocs))),2,-1
      if(mod(nprocs,np_cols) == 0 ) exit
   enddo
Andreas Marek's avatar
Andreas Marek committed
177

178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
   ! at the end of the above loop, nprocs is always divisible by np_cols

   np_rows = nprocs/np_cols

   if(myid==0) then
      print *
      print '(a)','Standard eigenvalue problem - REAL version'
      print *
      print '(3(a,i0))','Matrix size=',na,', Number of eigenvectors=',nev,', Block size=',nblk
      print '(3(a,i0))','Number of processor rows=',np_rows,', cols=',np_cols,', total=',nprocs
      print *
   endif

   !-------------------------------------------------------------------------------
   ! Set up BLACS context and MPI communicators
   !
   ! The BLACS context is only necessary for using Scalapack.
   !
   ! For ELPA, the MPI communicators along rows/cols are sufficient,
   ! and the grid setup may be done in an arbitrary way as long as it is
   ! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
   ! process has a unique (my_prow,my_pcol) pair).

Andreas Marek's avatar
Andreas Marek committed
201
202
   call set_up_blacsgrid(mpi_comm_world, my_blacs_ctxt, np_rows, np_cols, &
                         nprow, npcol, my_prow, my_pcol)
203
204
205
206
207
208

   if (myid==0) then
     print '(a)','| Past BLACS_Gridinfo.'
   end if

   ! All ELPA routines need MPI communicators for communicating within
209
   ! rows or columns of processes, these are set in get_elpa_communicators.
210

211
   mpierr = get_elpa_communicators(mpi_comm_world, my_prow, my_pcol, &
212
                                   mpi_comm_rows, mpi_comm_cols)
213
214
215
216
217

   if (myid==0) then
     print '(a)','| Past split communicator setup for rows and columns.'
   end if

Andreas Marek's avatar
Andreas Marek committed
218
219
   call set_up_blacs_descriptor(na ,nblk, my_prow, my_pcol, np_rows, np_cols, &
                                na_rows, na_cols, sc_desc, my_blacs_ctxt, info)
220
221
222
223
224
225
226

   if (myid==0) then
     print '(a)','| Past scalapack descriptor setup.'
   end if

   !-------------------------------------------------------------------------------
   ! Allocate matrices and set up a test matrix for the eigenvalue problem
227
228
229
#ifdef HAVE_DETAILED_TIMINGS
   call timer%start("set up matrix")
#endif
230
231
232
233
234
235
   allocate(a (na_rows,na_cols))
   allocate(z (na_rows,na_cols))
   allocate(as(na_rows,na_cols))

   allocate(ev(na))

Andreas Marek's avatar
Andreas Marek committed
236
   call prepare_matrix(na, myid, sc_desc, iseed,  a, z, as)
237

238
239
240
#ifdef HAVE_DETAILED_TIMINGS
   call timer%stop("set up matrix")
#endif
241
242
243
244
245
246
247
248

   !-------------------------------------------------------------------------------
   ! Calculate eigenvalues/eigenvectors

   if (myid==0) then
     print '(a)','| Entering one-step ELPA solver ... '
     print *
   end if
249
#ifdef WITH_MPI
250
   call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
251
#endif
252
   success = solve_evp_real_1stage_double(na, nev, a, na_rows, ev, z, na_rows, nblk, &
253
                            na_cols, mpi_comm_rows, mpi_comm_cols)
254
255

   if (.not.(success)) then
256
      write(error_unit,*) "solve_evp_real_1stage produced an error! Aborting..."
257
#ifdef WITH_MPI
Andreas Marek's avatar
Andreas Marek committed
258
      call MPI_ABORT(mpi_comm_world, 1, mpierr)
259
#endif
260
261
   endif

262
263
264
265
266
267
268
269
270
271

   if (myid==0) then
     print '(a)','| One-step ELPA solver complete.'
     print *
   end if

   if(myid == 0) print *,'Time tridiag_real     :',time_evp_fwd
   if(myid == 0) print *,'Time solve_tridi      :',time_evp_solve
   if(myid == 0) print *,'Time trans_ev_real    :',time_evp_back
   if(myid == 0) print *,'Total time (sum above):',time_evp_back+time_evp_solve+time_evp_fwd
272

273
   if(write_to_file%eigenvectors) then
274
275
276
277
278
279
280
281
282
283
     write(unit = task_suffix, fmt = '(i8.8)') myid
     open(17,file="EVs_real_out_task_"//task_suffix(1:8)//".txt",form='formatted',status='new')
     write(17,*) "Part of eigenvectors: na_rows=",na_rows,"of na=",na," na_cols=",na_cols," of na=",na

     do i=1,na_rows
       do j=1,na_cols
         write(17,*) "row=",i," col=",j," element of eigenvector=",z(i,j)
       enddo
     enddo
     close(17)
284
   endif
285

286
   if(write_to_file%eigenvalues) then
287
      if (myid == 0) then
288
         open(17,file="Eigenvalues_real_out.txt",form='formatted',status='new')
289
290
291
292
293
294
295
296
297
298
299
300
301
         do i=1,na
            write(17,*) i,ev(i)
         enddo
         close(17)
      endif
   endif


   !-------------------------------------------------------------------------------
   ! Test correctness of result (using plain scalapack routines)
   allocate(tmp1(na_rows,na_cols))
   allocate(tmp2(na_rows,na_cols))

Andreas Marek's avatar
Andreas Marek committed
302
   status = check_correctness(na, nev, as, z, ev, sc_desc, myid, tmp1, tmp2)
303

Andreas Marek's avatar
Andreas Marek committed
304
305
   deallocate(a)
   deallocate(as)
306
307
308
309
310

   deallocate(z)
   deallocate(tmp1)
   deallocate(tmp2)
   deallocate(ev)
Andreas Marek's avatar
Andreas Marek committed
311

312
#ifdef HAVE_DETAILED_TIMINGS
313
   call timer%stop("program: test_real_double_precision")
314
   print *," "
315
   print *,"Timings program: test_real_double_precision"
316
   print *," "
317
   call timer%print("program: test_real_double_precision")
318
   print *," "
319
   print *,"End timings program: test_real_double_precision"
320
321
   print *," "
#endif
322
323

#ifdef WITH_MPI
324
325
   call blacs_gridexit(my_blacs_ctxt)
   call mpi_finalize(mpierr)
326
#endif
327
328
329
330
331
332
333

   call EXIT(STATUS)


end

!-------------------------------------------------------------------------------