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 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 : !> The complex ELPA 2 kernel is set as the default kernel.
63 : !> However, this can be overriden by setting
64 : !> the environment variable "COMPLEX_ELPA_KERNEL" to an
65 : !> appropiate value.
66 : !>
67 288 : program test_complex2_double_precision
68 :
69 : !-------------------------------------------------------------------------------
70 : ! Standard eigenvalue problem - COMPLEX 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 : !-------------------------------------------------------------------------------
80 288 : use elpa1
81 : use elpa2
82 : use elpa_utilities, only : error_unit
83 :
84 : use test_util
85 :
86 : use test_read_input_parameters
87 : use test_check_correctness
88 : use test_setup_mpi
89 : use test_blacs_infrastructure
90 : use test_prepare_matrix
91 : #ifdef HAVE_REDIRECT
92 : use test_redirect
93 : #endif
94 :
95 : use test_output_type
96 : implicit none
97 :
98 : !-------------------------------------------------------------------------------
99 : ! Please set system size parameters below!
100 : ! na: System size
101 : ! nev: Number of eigenvectors to be calculated
102 : ! nblk: Blocking factor in block cyclic distribution
103 : !-------------------------------------------------------------------------------
104 :
105 : integer(kind=ik) :: nblk
106 : integer(kind=ik) :: na, nev
107 :
108 : integer(kind=ik) :: np_rows, np_cols, na_rows, na_cols
109 :
110 : integer(kind=ik) :: myid, nprocs, my_prow, my_pcol, mpi_comm_rows, mpi_comm_cols
111 : integer(kind=ik) :: i, mpierr, my_blacs_ctxt, sc_desc(9), info, nprow, npcol
112 : #ifdef WITH_MPI
113 : integer(kind=ik), external :: numroc
114 : #endif
115 : complex(kind=ck8), parameter :: CZERO = (0.0_rk8,0.0_rk8), CONE = (1.0_rk8,0.0_rk8)
116 288 : real(kind=rk8), allocatable :: ev(:)
117 :
118 576 : complex(kind=ck8), allocatable :: a(:,:), z(:,:), as(:,:)
119 :
120 : integer(kind=ik) :: STATUS
121 : #ifdef WITH_OPENMP
122 : integer(kind=ik) :: omp_get_max_threads, required_mpi_thread_level, provided_mpi_thread_level
123 : #endif
124 : type(output_t) :: write_to_file
125 : logical :: success
126 : character(len=8) :: task_suffix
127 : integer(kind=ik) :: j
128 :
129 : logical :: successELPA
130 :
131 : logical :: gpuAvailable
132 :
133 : #define COMPLEXCASE
134 : #define DOUBLE_PRECISION_COMPLEX 1
135 :
136 288 : successELPA = .true.
137 288 : gpuAvailable = .false.
138 :
139 288 : call read_input_parameters(na, nev, nblk, write_to_file)
140 : !-------------------------------------------------------------------------------
141 : ! MPI Initialization
142 288 : call setup_mpi(myid, nprocs)
143 :
144 :
145 288 : STATUS = 0
146 :
147 : #include "../../elpa_print_headers.F90"
148 :
149 : !-------------------------------------------------------------------------------
150 : ! Selection of number of processor rows/columns
151 : ! We try to set up the grid square-like, i.e. start the search for possible
152 : ! divisors of nprocs with a number next to the square root of nprocs
153 : ! and decrement it until a divisor is found.
154 :
155 288 : do np_cols = NINT(SQRT(REAL(nprocs))),2,-1
156 0 : if(mod(nprocs,np_cols) == 0 ) exit
157 : enddo
158 : ! at the end of the above loop, nprocs is always divisible by np_cols
159 :
160 288 : np_rows = nprocs/np_cols
161 :
162 288 : if(myid==0) then
163 192 : print *
164 192 : print '(a)','Standard eigenvalue problem - COMPLEX version'
165 192 : print *
166 192 : print '(3(a,i0))','Matrix size=',na,', Number of eigenvectors=',nev,', Block size=',nblk
167 192 : print '(3(a,i0))','Number of processor rows=',np_rows,', cols=',np_cols,', total=',nprocs
168 192 : print *
169 : endif
170 :
171 : !-------------------------------------------------------------------------------
172 : ! Set up BLACS context and MPI communicators
173 : !
174 : ! The BLACS context is only necessary for using Scalapack.
175 : !
176 : ! For ELPA, the MPI communicators along rows/cols are sufficient,
177 : ! and the grid setup may be done in an arbitrary way as long as it is
178 : ! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
179 : ! process has a unique (my_prow,my_pcol) pair).
180 :
181 : call set_up_blacsgrid(mpi_comm_world, np_rows, np_cols, 'C', &
182 288 : my_blacs_ctxt, my_prow, my_pcol)
183 :
184 288 : if (myid==0) then
185 192 : print '(a)','| Past BLACS_Gridinfo.'
186 : end if
187 :
188 : ! All ELPA routines need MPI communicators for communicating within
189 : ! rows or columns of processes, these are set in elpa_get_communicators.
190 :
191 : mpierr = elpa_get_communicators(mpi_comm_world, my_prow, my_pcol, &
192 288 : mpi_comm_rows, mpi_comm_cols)
193 :
194 288 : if (myid==0) then
195 192 : print '(a)','| Past split communicator setup for rows and columns.'
196 : end if
197 :
198 : ! Determine the necessary size of the distributed matrices,
199 : ! we use the Scalapack tools routine NUMROC for that.
200 :
201 : call set_up_blacs_descriptor(na ,nblk, my_prow, my_pcol, np_rows, np_cols, &
202 288 : na_rows, na_cols, sc_desc, my_blacs_ctxt, info)
203 :
204 288 : if (myid==0) then
205 192 : print '(a)','| Past scalapack descriptor setup.'
206 : end if
207 : !-------------------------------------------------------------------------------
208 : ! Allocate matrices and set up a test matrix for the eigenvalue problem
209 :
210 288 : allocate(a (na_rows,na_cols))
211 288 : allocate(z (na_rows,na_cols))
212 288 : allocate(as(na_rows,na_cols))
213 :
214 288 : allocate(ev(na))
215 :
216 288 : call prepare_matrix_random(na, myid, sc_desc, a, z, as)
217 :
218 :
219 : ! set print flag in elpa1
220 288 : elpa_print_times = .true.
221 :
222 : !-------------------------------------------------------------------------------
223 : ! Calculate eigenvalues/eigenvectors
224 : #ifdef WITH_MPI
225 192 : call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
226 : #endif
227 : successELPA = elpa_solve_evp_complex_2stage_double(na, nev, a, na_rows, ev, z, na_rows, nblk, &
228 288 : na_cols, mpi_comm_rows, mpi_comm_cols, mpi_comm_world)
229 :
230 288 : if (.not.(successELPA)) then
231 0 : write(error_unit,*) "solve_evp_complex_2stage produced an error! Aborting..."
232 : #ifdef WITH_MPI
233 0 : call MPI_ABORT(mpi_comm_world, 1, mpierr)
234 : #else
235 0 : call exit(1)
236 : #endif
237 : endif
238 :
239 288 : if(myid == 0) print *,'Time transform to tridi :',time_evp_fwd
240 288 : if(myid == 0) print *,'Time solve tridi :',time_evp_solve
241 288 : if(myid == 0) print *,'Time transform back EVs :',time_evp_back
242 288 : if(myid == 0) print *,'Total time (sum above) :',time_evp_back+time_evp_solve+time_evp_fwd
243 :
244 288 : if(write_to_file%eigenvectors) then
245 0 : write(unit = task_suffix, fmt = '(i8.8)') myid
246 0 : open(17,file="EVs_complex2_out_task_"//task_suffix(1:8)//".txt",form='formatted',status='new')
247 0 : write(17,*) "Part of eigenvectors: na_rows=",na_rows,"of na=",na," na_cols=",na_cols," of na=",na
248 :
249 0 : do i=1,na_rows
250 0 : do j=1,na_cols
251 0 : write(17,*) "row=",i," col=",j," element of eigenvector=",z(i,j)
252 : enddo
253 : enddo
254 0 : close(17)
255 : endif
256 288 : if(write_to_file%eigenvalues) then
257 0 : if (myid == 0) then
258 0 : open(17,file="Eigenvalues_complex2_out.txt",form='formatted',status='new')
259 0 : do i=1,na
260 0 : write(17,*) i,ev(i)
261 : enddo
262 0 : close(17)
263 : endif
264 : endif
265 :
266 : !-------------------------------------------------------------------------------
267 : ! Test correctness of result (using plain scalapack routines)
268 288 : status = check_correctness_evp_numeric_residuals(na, nev, as, z, ev, sc_desc, nblk, myid, np_rows, np_cols, my_prow, my_pcol)
269 :
270 288 : deallocate(a)
271 288 : deallocate(as)
272 :
273 288 : deallocate(z)
274 288 : deallocate(ev)
275 :
276 : #ifdef WITH_MPI
277 192 : call blacs_gridexit(my_blacs_ctxt)
278 192 : call mpi_finalize(mpierr)
279 : #endif
280 288 : call EXIT(STATUS)
281 : end
282 :
283 : !-------------------------------------------------------------------------------
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