Line data Source code
1 : ! This file is part of ELPA.
2 : !
3 : ! The ELPA library was originally created by the ELPA consortium,
4 : ! consisting of the following organizations:
5 : !
6 : ! - Max Planck Computing and Data Facility (MPCDF), formerly known as
7 : ! Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG),
8 : ! - Bergische Universität Wuppertal, Lehrstuhl für angewandte
9 : ! Informatik,
10 : ! - Technische Universität München, Lehrstuhl für Informatik mit
11 : ! Schwerpunkt Wissenschaftliches Rechnen ,
12 : ! - Fritz-Haber-Institut, Berlin, Abt. Theorie,
13 : ! - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
14 : ! Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
15 : ! and
16 : ! - IBM Deutschland GmbH
17 : !
18 : !
19 : ! 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 : ! it under the terms of the version 3 of the license of the
24 : ! GNU Lesser General Public License as published by the Free
25 : ! Software Foundation.
26 : !
27 : ! ELPA is distributed in the hope that it will be useful,
28 : ! but WITHOUT ANY WARRANTY; without even the implied warranty of
29 : ! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
30 : ! GNU Lesser General Public License for more details.
31 : !
32 : ! You should have received a copy of the GNU Lesser General Public License
33 : ! along with ELPA. If not, see <http://www.gnu.org/licenses/>
34 : !
35 : ! ELPA reflects a substantial effort on the part of the original
36 : ! ELPA consortium, and we ask you to respect the spirit of the
37 : ! license that we chose: i.e., please contribute any changes you
38 : ! may have back to the original ELPA library distribution, and keep
39 : ! any derivatives of ELPA under the same license that we chose for
40 : ! the original distribution, the GNU Lesser General Public License.
41 : !
42 : !
43 : #include "config-f90.h"
44 : !>
45 : !> Fortran test programm to demonstrates the use of
46 : !> ELPA 2 real case library.
47 : !> If "HAVE_REDIRECT" was defined at build time
48 : !> the stdout and stderr output of each MPI task
49 : !> can be redirected to files if the environment
50 : !> variable "REDIRECT_ELPA_TEST_OUTPUT" is set
51 : !> to "true".
52 : !>
53 : !> By calling executable [arg1] [arg2] [arg3] [arg4]
54 : !> one can define the size (arg1), the number of
55 : !> Eigenvectors to compute (arg2), and the blocking (arg3).
56 : !> If these values are not set default values (500, 150, 16)
57 : !> are choosen.
58 : !> If these values are set the 4th argument can be
59 : !> "output", which specifies that the EV's are written to
60 : !> an ascii file.
61 : !>
62 : !> The real ELPA 2 kernel is set as the default kernel.
63 : !> However, this can be overriden by setting
64 : !> the environment variable "REAL_ELPA_KERNEL" to an
65 : !> appropiate value.
66 : !>
67 96 : program test_real2
68 :
69 : !-------------------------------------------------------------------------------
70 : ! Standard eigenvalue problem - REAL version
71 : !
72 : ! This program demonstrates the use of the ELPA module
73 : ! together with standard scalapack routines
74 : !
75 : ! Copyright of the original code rests with the authors inside the ELPA
76 : ! consortium. The copyright of any additional modifications shall rest
77 : ! with their original authors, but shall adhere to the licensing terms
78 : ! distributed along with the original code in the file "COPYING".
79 : !
80 : !-------------------------------------------------------------------------------
81 96 : use elpa_driver
82 : use elpa_utilities, only : error_unit
83 : use test_util
84 :
85 : use test_read_input_parameters
86 : use test_check_correctness
87 : use test_setup_mpi
88 : use test_blacs_infrastructure
89 : use test_prepare_matrix
90 : #ifdef HAVE_REDIRECT
91 : use test_redirect
92 : #endif
93 : use test_output_type
94 : implicit none
95 :
96 : !-------------------------------------------------------------------------------
97 : ! Please set system size parameters below!
98 : ! na: System size
99 : ! nev: Number of eigenvectors to be calculated
100 : ! nblk: Blocking factor in block cyclic distribution
101 : !-------------------------------------------------------------------------------
102 :
103 : integer(kind=ik) :: nblk
104 : integer(kind=ik) :: na, nev
105 :
106 : integer(kind=ik) :: np_rows, np_cols, na_rows, na_cols
107 :
108 : integer(kind=ik) :: myid, nprocs, my_prow, my_pcol, mpi_comm_rows, mpi_comm_cols
109 : integer(kind=ik) :: i, mpierr, my_blacs_ctxt, sc_desc(9), info, nprow, npcol
110 :
111 : integer, external :: numroc
112 :
113 96 : real(kind=rk4), allocatable :: a(:,:), z(:,:), as(:,:), ev(:)
114 :
115 : integer(kind=ik) :: STATUS
116 : #ifdef WITH_OPENMP
117 : integer(kind=ik) :: omp_get_max_threads, required_mpi_thread_level, provided_mpi_thread_level
118 : #endif
119 : type(output_t) :: write_to_file
120 : logical :: success
121 : character(len=8) :: task_suffix
122 : integer(kind=ik) :: j
123 :
124 96 : success = .true.
125 96 : call read_input_parameters_traditional(na, nev, nblk, write_to_file)
126 :
127 : !-------------------------------------------------------------------------------
128 : ! MPI Initialization
129 96 : call setup_mpi(myid, nprocs)
130 :
131 96 : STATUS = 0
132 :
133 : #define DATATYPE REAL
134 : #include "../../elpa_print_headers.F90"
135 :
136 : !-------------------------------------------------------------------------------
137 : ! Selection of number of processor rows/columns
138 : ! We try to set up the grid square-like, i.e. start the search for possible
139 : ! divisors of nprocs with a number next to the square root of nprocs
140 : ! and decrement it until a divisor is found.
141 :
142 96 : do np_cols = NINT(SQRT(REAL(nprocs,kind=rk4))),2,-1
143 0 : if(mod(nprocs,np_cols) == 0 ) exit
144 : enddo
145 : ! at the end of the above loop, nprocs is always divisible by np_cols
146 :
147 96 : np_rows = nprocs/np_cols
148 :
149 96 : if(myid==0) then
150 64 : print *
151 64 : print '(a)','Standard eigenvalue problem - REAL version'
152 64 : print *
153 64 : print '(3(a,i0))','Matrix size=',na,', Number of eigenvectors=',nev,', Block size=',nblk
154 64 : print '(3(a,i0))','Number of processor rows=',np_rows,', cols=',np_cols,', total=',nprocs
155 64 : print *
156 : endif
157 :
158 : !-------------------------------------------------------------------------------
159 : ! Set up BLACS context and MPI communicators
160 : !
161 : ! The BLACS context is only necessary for using Scalapack.
162 : !
163 : ! For ELPA, the MPI communicators along rows/cols are sufficient,
164 : ! and the grid setup may be done in an arbitrary way as long as it is
165 : ! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
166 : ! process has a unique (my_prow,my_pcol) pair).
167 :
168 : call set_up_blacsgrid(mpi_comm_world, np_rows, np_cols, 'C', &
169 96 : my_blacs_ctxt, my_prow, my_pcol)
170 :
171 96 : if (myid==0) then
172 64 : print '(a)','| Past BLACS_Gridinfo.'
173 : end if
174 :
175 : ! All ELPA routines need MPI communicators for communicating within
176 : ! rows or columns of processes, these are set in elpa_get_communicators.
177 :
178 : mpierr = elpa_get_communicators(mpi_comm_world, my_prow, my_pcol, &
179 96 : mpi_comm_rows, mpi_comm_cols)
180 :
181 96 : if (myid==0) then
182 64 : print '(a)','| Past split communicator setup for rows and columns.'
183 : end if
184 :
185 : call set_up_blacs_descriptor(na ,nblk, my_prow, my_pcol, np_rows, np_cols, &
186 96 : na_rows, na_cols, sc_desc, my_blacs_ctxt, info)
187 :
188 96 : if (myid==0) then
189 64 : print '(a)','| Past scalapack descriptor setup.'
190 : end if
191 :
192 : !-------------------------------------------------------------------------------
193 : ! Allocate matrices and set up a test matrix for the eigenvalue problem
194 96 : allocate(a (na_rows,na_cols))
195 96 : allocate(z (na_rows,na_cols))
196 96 : allocate(as(na_rows,na_cols))
197 96 : allocate(ev(na))
198 :
199 96 : call prepare_matrix_random(na, myid, sc_desc, a, z, as)
200 :
201 : ! set print flag in elpa1
202 96 : elpa_print_times = .true.
203 :
204 : !-------------------------------------------------------------------------------
205 : ! Calculate eigenvalues/eigenvectors
206 :
207 96 : if (myid==0) then
208 64 : print '(a)','| Entering one-stage ELPA solver ... '
209 64 : print *
210 : end if
211 : #ifdef WITH_MPI
212 64 : call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
213 : #endif
214 : success = elpa_solve_evp_real_single(na, nev, a, na_rows, ev, z, na_rows, nblk, na_cols, &
215 96 : mpi_comm_rows, mpi_comm_cols, mpi_comm_world, method="1stage")
216 :
217 96 : if (.not.(success)) then
218 0 : write(error_unit,*) "elpa_solve_evp_real produced an error! Aborting..."
219 : #ifdef WITH_MPI
220 0 : call MPI_ABORT(mpi_comm_world, 1, mpierr)
221 : #else
222 0 : call exit(1)
223 : #endif
224 : endif
225 :
226 96 : if (myid==0) then
227 64 : print '(a)','| One-step ELPA solver complete.'
228 64 : print *
229 : end if
230 :
231 96 : a = as
232 96 : z = as
233 :
234 96 : if (myid==0) then
235 64 : print '(a)','| Entering two-stage ELPA solver ... '
236 64 : print *
237 : end if
238 : #ifdef WITH_MPI
239 64 : call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
240 : #endif
241 : success = elpa_solve_evp_real_single(na, nev, a, na_rows, ev, z, na_rows, nblk, na_cols, &
242 96 : mpi_comm_rows, mpi_comm_cols, mpi_comm_world, method="2stage")
243 :
244 96 : if (.not.(success)) then
245 0 : write(error_unit,*) "elpa_solve_evp_real produced an error! Aborting..."
246 : #ifdef WITH_MPI
247 0 : call MPI_ABORT(mpi_comm_world, 1, mpierr)
248 : #else
249 0 : call exit(1)
250 : #endif
251 : endif
252 :
253 96 : if (myid==0) then
254 64 : print '(a)','| two-step ELPA solver complete.'
255 64 : print *
256 : end if
257 :
258 96 : a = as
259 96 : z = as
260 :
261 96 : if (myid==0) then
262 64 : print '(a)','| Entering auto-chosen ELPA solver ... '
263 64 : print *
264 : end if
265 : #ifdef WITH_MPI
266 64 : call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
267 : #endif
268 : success = elpa_solve_evp_real_single(na, nev, a, na_rows, ev, z, na_rows, nblk, na_cols, &
269 96 : mpi_comm_rows, mpi_comm_cols, mpi_comm_world, method="auto")
270 :
271 96 : if (.not.(success)) then
272 0 : write(error_unit,*) "elpa_solve_evp_real produced an error! Aborting..."
273 : #ifdef WITH_MPI
274 0 : call MPI_ABORT(mpi_comm_world, 1, mpierr)
275 : #else
276 0 : call exit(1)
277 : #endif
278 : endif
279 :
280 96 : if (myid==0) then
281 64 : print '(a)','| auto-chosen ELPA solver complete.'
282 64 : print *
283 : end if
284 :
285 96 : if(myid == 0) print *,'Time transform to tridi :',time_evp_fwd
286 96 : if(myid == 0) print *,'Time solve tridi :',time_evp_solve
287 96 : if(myid == 0) print *,'Time transform back EVs :',time_evp_back
288 96 : if(myid == 0) print *,'Total time (sum above) :',time_evp_back+time_evp_solve+time_evp_fwd
289 :
290 :
291 : ! if(write_to_file%eigenvectors) then
292 : ! write(unit = task_suffix, fmt = '(i8.8)') myid
293 : ! open(17,file="EVs_real2_out_task_"//task_suffix(1:8)//".txt",form='formatted',status='new')
294 : ! write(17,*) "Part of eigenvectors: na_rows=",na_rows,"of na=",na," na_cols=",na_cols," of na=",na
295 : !
296 : ! do i=1,na_rows
297 : ! do j=1,na_cols
298 : ! write(17,*) "row=",i," col=",j," element of eigenvector=",z(i,j)
299 : ! enddo
300 : ! enddo
301 : ! close(17)
302 : ! endif
303 : !
304 : ! if(write_to_file%eigenvalues) then
305 : ! if (myid == 0) then
306 : ! open(17,file="Eigenvalues_real2_out.txt",form='formatted',status='new')
307 : ! do i=1,na
308 : ! write(17,*) i,ev(i)
309 : ! enddo
310 : ! close(17)
311 : ! endif
312 : ! endif
313 :
314 :
315 : !-------------------------------------------------------------------------------
316 : ! Test correctness of result (using plain scalapack routines)
317 96 : status = check_correctness_evp_numeric_residuals(na, nev, as, z, ev, sc_desc, nblk, myid, np_rows, np_cols, my_prow, my_pcol)
318 :
319 96 : deallocate(a)
320 96 : deallocate(as)
321 :
322 96 : deallocate(z)
323 96 : deallocate(ev)
324 :
325 : #ifdef WITH_MPI
326 64 : call blacs_gridexit(my_blacs_ctxt)
327 64 : call mpi_finalize(mpierr)
328 : #endif
329 96 : call EXIT(STATUS)
330 : end
331 :
332 : !-------------------------------------------------------------------------------
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