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 :
46 96 : program test_cholesky
47 :
48 96 : use elpa1
49 : use elpa_utilities, only : error_unit
50 : use test_util
51 :
52 : use test_read_input_parameters
53 : use test_check_correctness
54 : use test_setup_mpi
55 : use test_blacs_infrastructure
56 : use test_prepare_matrix
57 :
58 : #ifdef HAVE_REDIRECT
59 : use test_redirect
60 : #endif
61 : use test_output_type
62 :
63 : implicit none
64 :
65 : !-------------------------------------------------------------------------------
66 : ! Please set system size parameters below!
67 : ! na: System size
68 : ! nev: Number of eigenvectors to be calculated
69 : ! nblk: Blocking factor in block cyclic distribution
70 : !-------------------------------------------------------------------------------
71 : integer(kind=ik) :: nblk
72 : integer(kind=ik) :: na, nev
73 :
74 : integer(kind=ik) :: np_rows, np_cols, na_rows, na_cols
75 :
76 : integer(kind=ik) :: myid, nprocs, my_prow, my_pcol, mpi_comm_rows, mpi_comm_cols
77 : integer(kind=ik) :: i, mpierr, my_blacs_ctxt, sc_desc(9), info, nprow, npcol
78 :
79 : integer, external :: numroc
80 :
81 192 : real(kind=rk4), allocatable :: a(:,:), b(:,:), c(:,:), z(:,:), tmp1(:,:), tmp2(:,:), as(:,:), ev(:)
82 96 : real(kind=rk4), allocatable :: d(:), e(:)
83 : real(kind=rk4) :: diagonalElement, subdiagonalElement
84 : integer(kind=ik) :: loctmp ,rowLocal, colLocal
85 :
86 : real(kind=rk4) :: norm, normmax
87 : #ifdef WITH_MPI
88 : real(kind=rk4) :: pslange
89 : #else
90 : real(kind=rk4) :: slange
91 : #endif
92 : real(kind=rk4), parameter :: pi = 3.141592653589793238462643383279_rk4
93 : integer(kind=ik) :: STATUS
94 : #ifdef WITH_OPENMP
95 : integer(kind=ik) :: omp_get_max_threads, required_mpi_thread_level, &
96 : provided_mpi_thread_level
97 : #endif
98 : type(output_t) :: write_to_file
99 : logical :: success
100 : character(len=8) :: task_suffix
101 : integer(kind=ik) :: j
102 : !-------------------------------------------------------------------------------
103 :
104 96 : success = .true.
105 :
106 96 : call read_input_parameters(na, nev, nblk, write_to_file)
107 :
108 : !-------------------------------------------------------------------------------
109 : ! MPI Initialization
110 96 : call setup_mpi(myid, nprocs)
111 :
112 96 : STATUS = 0
113 :
114 96 : do np_cols = NINT(SQRT(REAL(nprocs))),2,-1
115 0 : if(mod(nprocs,np_cols) == 0 ) exit
116 : enddo
117 :
118 : ! at the end of the above loop, nprocs is always divisible by np_cols
119 :
120 96 : np_rows = nprocs/np_cols
121 :
122 96 : if(myid==0) then
123 64 : print '(3(a,i0))','Matrix size=',na,', Block size=',nblk
124 64 : print '(3(a,i0))','Number of processor rows=',np_rows,', cols=',np_cols,', total=',nprocs
125 64 : print *
126 : endif
127 :
128 : !-------------------------------------------------------------------------------
129 : ! Set up BLACS context and MPI communicators
130 : !
131 : ! The BLACS context is only necessary for using Scalapack.
132 : !
133 : ! For ELPA, the MPI communicators along rows/cols are sufficient,
134 : ! and the grid setup may be done in an arbitrary way as long as it is
135 : ! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
136 : ! process has a unique (my_prow,my_pcol) pair).
137 :
138 : call set_up_blacsgrid(mpi_comm_world, np_rows, np_cols, 'C', &
139 96 : my_blacs_ctxt, my_prow, my_pcol)
140 :
141 96 : if (myid==0) then
142 64 : print '(a)','| Past BLACS_Gridinfo.'
143 : end if
144 :
145 : ! All ELPA routines need MPI communicators for communicating within
146 : ! rows or columns of processes, these are set in elpa_get_communicators.
147 :
148 : mpierr = elpa_get_communicators(mpi_comm_world, my_prow, my_pcol, &
149 96 : mpi_comm_rows, mpi_comm_cols)
150 :
151 96 : if (myid==0) then
152 64 : print '(a)','| Past split communicator setup for rows and columns.'
153 : end if
154 :
155 : call set_up_blacs_descriptor(na ,nblk, my_prow, my_pcol, np_rows, np_cols, &
156 96 : na_rows, na_cols, sc_desc, my_blacs_ctxt, info)
157 :
158 96 : if (myid==0) then
159 64 : print '(a)','| Past scalapack descriptor setup.'
160 : end if
161 :
162 : !-------------------------------------------------------------------------------
163 : ! Allocate matrices and set up a test matrix for the eigenvalue problem
164 96 : allocate(a (na_rows,na_cols))
165 96 : allocate(b (na_rows,na_cols))
166 96 : allocate(c (na_rows,na_cols))
167 :
168 96 : allocate(z (na_rows,na_cols))
169 96 : allocate(as(na_rows,na_cols))
170 :
171 96 : allocate(ev(na))
172 :
173 96 : allocate(d (na))
174 96 : allocate(e (na))
175 :
176 96 : a(:,:) = 0.0_rk4
177 :
178 :
179 96 : diagonalElement = 2.546_rk4
180 :
181 14496 : do i = 1, na
182 14400 : if (map_global_array_index_to_local_index(i, i, rowLocal, colLocal, nblk, np_rows, np_cols, my_prow, my_pcol)) then
183 9600 : a(rowLocal,colLocal) = diagonalElement * abs(cos( pi*real(i,kind=rk4)/ real(na+1,kind=rk4) ))
184 : endif
185 : enddo
186 :
187 96 : as(:,:) = a(:,:)
188 :
189 : !-------------------------------------------------------------------------------
190 : ! Calculate eigenvalues/eigenvectors
191 :
192 96 : if (myid==0) then
193 64 : print '(a)','| Compute cholesky decomposition ... '
194 64 : print *
195 : end if
196 : #ifdef WITH_MPI
197 64 : call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
198 : #endif
199 :
200 96 : success = elpa_cholesky_real_single(na, a, na_rows, nblk, na_cols, mpi_comm_rows, mpi_comm_cols, .true.)
201 :
202 96 : if (.not.(success)) then
203 0 : write(error_unit,*) "elpa_cholseky_real produced an error! Aborting..."
204 : #ifdef WITH_MPI
205 0 : call MPI_ABORT(mpi_comm_world, 1, mpierr)
206 : #else
207 0 : call exit(1)
208 : #endif
209 : endif
210 :
211 :
212 96 : if (myid==0) then
213 64 : print '(a)','| Cholesky decomposition complete.'
214 64 : print *
215 : end if
216 :
217 :
218 : !-------------------------------------------------------------------------------
219 : ! Test correctness of result (using plain scalapack routines)
220 96 : allocate(tmp1(na_rows,na_cols))
221 96 : allocate(tmp2(na_rows,na_cols))
222 :
223 96 : tmp1(:,:) = 0.0_rk4
224 :
225 : ! tmp1 = a**T
226 : #ifdef WITH_MPI
227 64 : call pstran(na, na, 1.0_rk4, a, 1, 1, sc_desc, 0.0_rk4, tmp1, 1, 1, sc_desc)
228 : #else
229 32 : tmp1 = transpose(a)
230 : #endif
231 : ! tmp2 = a * a**T
232 : #ifdef WITH_MPI
233 : call psgemm("N","N", na, na, na, 1.0_rk4, a, 1, 1, sc_desc, tmp1, 1, 1, &
234 64 : sc_desc, 0.0_rk4, tmp2, 1, 1, sc_desc)
235 : #else
236 32 : call sgemm("N","N", na, na, na, 1.0_rk4, a, na, tmp1, na, 0.0_rk4, tmp2, na)
237 : #endif
238 :
239 : ! compare tmp2 with original matrix
240 96 : tmp2(:,:) = tmp2(:,:) - as(:,:)
241 :
242 : #ifdef WITH_MPI
243 64 : norm = pslange("M",na, na, tmp2, 1, 1, sc_desc, tmp1)
244 : #else
245 32 : norm = slange("M", na, na, tmp2, na_rows, tmp1)
246 : #endif
247 :
248 : #ifdef WITH_MPI
249 64 : call mpi_allreduce(norm,normmax,1,MPI_REAL4,MPI_MAX,MPI_COMM_WORLD,mpierr)
250 : #else
251 32 : normmax = norm
252 : #endif
253 96 : if (myid .eq. 0) then
254 64 : print *," Maximum error of result: ", normmax
255 : endif
256 :
257 96 : if (normmax .gt. 5e-4_rk4) then
258 0 : status = 1
259 : endif
260 :
261 96 : deallocate(a)
262 96 : deallocate(b)
263 96 : deallocate(c)
264 :
265 96 : deallocate(as)
266 :
267 96 : deallocate(z)
268 96 : deallocate(tmp1)
269 96 : deallocate(tmp2)
270 96 : deallocate(ev)
271 :
272 96 : deallocate(d)
273 96 : deallocate(e)
274 :
275 : #ifdef WITH_MPI
276 64 : call blacs_gridexit(my_blacs_ctxt)
277 64 : call mpi_finalize(mpierr)
278 : #endif
279 :
280 96 : call EXIT(STATUS)
281 :
282 :
283 : end
284 :
285 : !-------------------------------------------------------------------------------
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