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 1 complex 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 : !>
62 192 : program test_complex_double_precision
63 :
64 : !-------------------------------------------------------------------------------
65 : ! Standard eigenvalue problem - COMPLEX version
66 : !
67 : ! This program demonstrates the use of the ELPA module
68 : ! together with standard scalapack routines
69 : !
70 : ! Copyright of the original code rests with the authors inside the ELPA
71 : ! consortium. The copyright of any additional modifications shall rest
72 : ! with their original authors, but shall adhere to the licensing terms
73 : ! distributed along with the original code in the file "COPYING".
74 : !-------------------------------------------------------------------------------
75 192 : use elpa1
76 : use elpa_utilities, only : error_unit
77 :
78 : use test_util
79 : use test_read_input_parameters
80 : use test_check_correctness
81 : use test_setup_mpi
82 : use test_blacs_infrastructure
83 : use test_prepare_matrix
84 : #ifdef HAVE_REDIRECT
85 : use test_redirect
86 : #endif
87 :
88 : use test_output_type
89 : implicit none
90 :
91 : !-------------------------------------------------------------------------------
92 : ! Please set system size parameters below!
93 : ! na: System size
94 : ! nev: Number of eigenvectors to be calculated
95 : ! nblk: Blocking factor in block cyclic distribution
96 : !-------------------------------------------------------------------------------
97 :
98 : integer(kind=ik) :: nblk
99 : integer(kind=ik) :: na, nev
100 :
101 : integer(kind=ik) :: np_rows, np_cols, na_rows, na_cols
102 :
103 : integer(kind=ik) :: myid, nprocs, my_prow, my_pcol, mpi_comm_rows, mpi_comm_cols
104 : integer(kind=ik) :: i, mpierr, my_blacs_ctxt, sc_desc(9), info, nprow, npcol
105 :
106 192 : real(kind=rk8), allocatable :: ev(:)
107 :
108 384 : complex(kind=ck8), allocatable :: a(:,:), z(:,:), as(:,:)
109 :
110 : complex(kind=ck8), parameter :: CZERO = (0._rk8,0.0_rk8), CONE = (1._rk8,0._rk8)
111 :
112 : integer(kind=ik) :: STATUS
113 : #ifdef WITH_OPENMP
114 : integer(kind=ik) :: omp_get_max_threads, required_mpi_thread_level, provided_mpi_thread_level
115 : #endif
116 : type(output_t) :: write_to_file
117 : logical :: success
118 : character(len=8) :: task_suffix
119 : integer(kind=ik) :: j
120 :
121 : #define DOUBLE_PRECISION_COMPLEX 1
122 :
123 192 : success = .true.
124 : ! read input parameters if they are provided
125 192 : call read_input_parameters(na, nev, nblk, write_to_file)
126 :
127 : !-------------------------------------------------------------------------------
128 : ! MPI Initialization
129 192 : call setup_mpi(myid, nprocs)
130 :
131 192 : STATUS = 0
132 :
133 : #define COMPLEXCASE
134 : #define ELPA1
135 : #include "../../elpa_print_headers.F90"
136 :
137 : !-------------------------------------------------------------------------------
138 : ! Selection of number of processor rows/columns
139 : ! We try to set up the grid square-like, i.e. start the search for possible
140 : ! divisors of nprocs with a number next to the square root of nprocs
141 : ! and decrement it until a divisor is found.
142 :
143 192 : do np_cols = NINT(SQRT(REAL(nprocs))),2,-1
144 0 : if(mod(nprocs,np_cols) == 0 ) exit
145 : enddo
146 : ! at the end of the above loop, nprocs is always divisible by np_cols
147 :
148 192 : np_rows = nprocs/np_cols
149 :
150 192 : if(myid==0) then
151 128 : print *
152 128 : print '(a)','Standard eigenvalue problem - ELPA1, COMPLEX version'
153 128 : print *
154 128 : print '((a,i0))', 'Matrix size: ', na
155 128 : print '((a,i0))', 'Num eigenvectors: ', nev
156 128 : print '((a,i0))', 'Blocksize: ', nblk
157 128 : print '((a,i0))', 'Num MPI proc: ', nprocs
158 128 : print '((a))', 'Using gpu: NO'
159 128 : print '((a,i0))', 'Num gpu devices: ', 0
160 128 : print '((a))', 'Number type: complex'
161 128 : print '((a))', 'Number precision: double'
162 128 : print *
163 128 : print '(3(a,i0))','Number of processor rows=',np_rows,', cols=',np_cols,', total=',nprocs
164 128 : print *
165 : endif
166 :
167 : !-------------------------------------------------------------------------------
168 : ! Set up BLACS context and MPI communicators
169 : !
170 : ! The BLACS context is only necessary for using Scalapack.
171 : !
172 : ! For ELPA, the MPI communicators along rows/cols are sufficient,
173 : ! and the grid setup may be done in an arbitrary way as long as it is
174 : ! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
175 : ! process has a unique (my_prow,my_pcol) pair).
176 :
177 : call set_up_blacsgrid(mpi_comm_world, np_rows, np_cols, 'C', &
178 192 : my_blacs_ctxt, my_prow, my_pcol)
179 :
180 192 : if (myid==0) then
181 128 : print '(a)','| Past BLACS_Gridinfo.'
182 : end if
183 :
184 : ! All ELPA routines need MPI communicators for communicating within
185 : ! rows or columns of processes, these are set in elpa_get_communicators.
186 :
187 : mpierr = elpa_get_communicators(mpi_comm_world, my_prow, my_pcol, &
188 192 : mpi_comm_rows, mpi_comm_cols)
189 :
190 192 : if (myid==0) then
191 128 : print '(a)','| Past split communicator setup for rows and columns.'
192 : end if
193 :
194 : ! Determine the necessary size of the distributed matrices,
195 : ! we use the Scalapack tools routine NUMROC for that.
196 :
197 : call set_up_blacs_descriptor(na ,nblk, my_prow, my_pcol, np_rows, np_cols, &
198 192 : na_rows, na_cols, sc_desc, my_blacs_ctxt, info)
199 :
200 192 : if (myid==0) then
201 128 : print '(a)','| Past scalapack descriptor setup.'
202 : end if
203 :
204 : !-------------------------------------------------------------------------------
205 : ! Allocate matrices and set up a test matrix for the eigenvalue problem
206 :
207 192 : allocate(a (na_rows,na_cols))
208 192 : allocate(z (na_rows,na_cols))
209 192 : allocate(as(na_rows,na_cols))
210 :
211 192 : allocate(ev(na))
212 :
213 192 : call prepare_matrix_random(na, myid, sc_desc, a, z, as)
214 192 : elpa_print_times = .true.
215 : !-------------------------------------------------------------------------------
216 : ! Calculate eigenvalues/eigenvectors
217 :
218 192 : if (myid==0) then
219 128 : print '(a)','| Entering one-step ELPA solver ... '
220 128 : print *
221 : end if
222 : #ifdef WITH_MPI
223 128 : call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
224 : #endif
225 : success = elpa_solve_evp_complex_1stage_double(na, nev, a, na_rows, ev, z, na_rows, nblk, &
226 192 : na_cols, mpi_comm_rows, mpi_comm_cols, mpi_comm_world)
227 :
228 192 : if (.not.(success)) then
229 0 : write(error_unit,*) "solve_evp_complex produced an error! Aborting..."
230 : #ifdef WITH_MPI
231 0 : call MPI_ABORT(mpi_comm_world, 1, mpierr)
232 : #else
233 0 : call exit(1)
234 : #endif
235 : endif
236 :
237 192 : if (myid==0) then
238 128 : print '(a)','| One-step ELPA solver complete.'
239 128 : print *
240 : end if
241 :
242 192 : if(myid == 0) print *,'Time tridiag_complex :',time_evp_fwd
243 192 : if(myid == 0) print *,'Time solve_tridi :',time_evp_solve
244 192 : if(myid == 0) print *,'Time trans_ev_complex :',time_evp_back
245 192 : if(myid == 0) print *,'Total time (sum above):',time_evp_back+time_evp_solve+time_evp_fwd
246 :
247 192 : if(write_to_file%eigenvectors) then
248 0 : write(unit = task_suffix, fmt = '(i8.8)') myid
249 0 : open(17,file="EVs_complex_out_task_"//task_suffix(1:8)//".txt",form='formatted',status='new')
250 0 : write(17,*) "Part of eigenvectors: na_rows=",na_rows,"of na=",na," na_cols=",na_cols," of na=",na
251 :
252 0 : do i=1,na_rows
253 0 : do j=1,na_cols
254 0 : write(17,*) "row=",i," col=",j," element of eigenvector=",z(i,j)
255 : enddo
256 : enddo
257 0 : close(17)
258 : endif
259 :
260 192 : if(write_to_file%eigenvalues) then
261 0 : if (myid == 0) then
262 0 : open(17,file="Eigenvalues_complex_out.txt",form='formatted',status='new')
263 0 : do i=1,na
264 0 : write(17,*) i,ev(i)
265 : enddo
266 0 : close(17)
267 : endif
268 : endif
269 :
270 :
271 : !-------------------------------------------------------------------------------
272 : ! Test correctness of result (using plain scalapack routines)
273 :
274 192 : status = check_correctness_evp_numeric_residuals(na, nev, as, z, ev, sc_desc, nblk, myid, np_rows, np_cols, my_prow, my_pcol)
275 :
276 192 : deallocate(a)
277 192 : deallocate(as)
278 :
279 192 : deallocate(z)
280 192 : deallocate(ev)
281 :
282 : #ifdef WITH_MPI
283 128 : call blacs_gridexit(my_blacs_ctxt)
284 128 : call mpi_finalize(mpierr)
285 : #endif
286 192 : call EXIT(STATUS)
287 : end
288 :
289 : !-------------------------------------------------------------------------------
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