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_default_kernel_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 :
83 :
84 : use elpa_utilities, only : error_unit
85 : use elpa2_utilities
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 : use test_util
92 :
93 : #ifdef HAVE_REDIRECT
94 : use test_redirect
95 : #endif
96 :
97 : use test_output_type
98 : implicit none
99 :
100 : !-------------------------------------------------------------------------------
101 : ! Please set system size parameters below!
102 : ! na: System size
103 : ! nev: Number of eigenvectors to be calculated
104 : ! nblk: Blocking factor in block cyclic distribution
105 : !-------------------------------------------------------------------------------
106 :
107 : integer(kind=ik) :: nblk
108 : integer(kind=ik) :: na, nev
109 :
110 : integer(kind=ik) :: np_rows, np_cols, na_rows, na_cols
111 :
112 : integer(kind=ik) :: myid, nprocs, my_prow, my_pcol, mpi_comm_rows, mpi_comm_cols
113 : integer(kind=ik) :: i, mpierr, my_blacs_ctxt, sc_desc(9), info, nprow, npcol
114 :
115 : integer(kind=ik), external :: numroc
116 :
117 288 : real(kind=rk8), allocatable :: ev(:)
118 :
119 576 : complex(kind=ck8), allocatable :: a(:,:), z(:,:), as(:,:)
120 :
121 : complex(kind=ck8), parameter :: CZERO = (0._rk8,0._rk8), CONE = (1._rk8,0._rk8)
122 :
123 : integer(kind=ik) :: STATUS
124 : #ifdef WITH_OPENMP
125 : integer(kind=ik) :: omp_get_max_threads, required_mpi_thread_level, provided_mpi_thread_level
126 : #endif
127 : logical :: successELPA, success
128 : logical :: gpuAvailable
129 : type(output_t) :: write_to_file
130 : character(len=8) :: task_suffix
131 : integer(kind=ik) :: j
132 :
133 : #define DOUBLE_PRECISION_COMPLEX 1
134 :
135 288 : success = .true.
136 :
137 288 : successELPA = .true.
138 288 : gpuAvailable = .false.
139 288 : call read_input_parameters(na, nev, nblk, write_to_file)
140 : !-------------------------------------------------------------------------------
141 : ! MPI Initialization
142 288 : call setup_mpi(myid, nprocs)
143 :
144 288 : STATUS = 0
145 :
146 : #define COMPLEXCASE
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 : #ifdef WITH_GPU_VERSION
166 : print *," with GPU version"
167 : #endif
168 192 : print *
169 192 : print '(3(a,i0))','Matrix size=',na,', Number of eigenvectors=',nev,', Block size=',nblk
170 192 : print '(3(a,i0))','Number of processor rows=',np_rows,', cols=',np_cols,', total=',nprocs
171 192 : print *
172 192 : print *, "This is an example how ELPA2 chooses a default kernel,"
173 : #ifdef HAVE_ENVIRONMENT_CHECKING
174 192 : print *, "or takes the kernel defined in the environment variable,"
175 : #endif
176 192 : print *, "since the ELPA API call does not contain any kernel specification"
177 192 : print *
178 192 : print *," "
179 : #ifndef HAVE_ENVIRONMENT_CHECKING
180 : print *, " Notice that it is not possible with this build to set the "
181 : print *, " kernel via an environment variable! To change this re-install"
182 : print *, " the library and have a look at the log files"
183 : #endif
184 :
185 :
186 : endif
187 :
188 : !-------------------------------------------------------------------------------
189 : ! Set up BLACS context and MPI communicators
190 : !
191 : ! The BLACS context is only necessary for using Scalapack.
192 : !
193 : ! For ELPA, the MPI communicators along rows/cols are sufficient,
194 : ! and the grid setup may be done in an arbitrary way as long as it is
195 : ! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
196 : ! process has a unique (my_prow,my_pcol) pair).
197 :
198 : call set_up_blacsgrid(mpi_comm_world, np_rows, np_cols, 'C', &
199 288 : my_blacs_ctxt, my_prow, my_pcol)
200 :
201 288 : if (myid==0) then
202 192 : print '(a)','| Past BLACS_Gridinfo.'
203 : end if
204 :
205 : ! All ELPA routines need MPI communicators for communicating within
206 : ! rows or columns of processes, these are set in elpa_get_communicators
207 :
208 : mpierr = elpa_get_communicators(mpi_comm_world, my_prow, my_pcol, &
209 288 : mpi_comm_rows, mpi_comm_cols)
210 :
211 288 : if (myid==0) then
212 192 : print '(a)','| Past split communicator setup for rows and columns.'
213 : end if
214 :
215 : ! Determine the necessary size of the distributed matrices,
216 : ! we use the Scalapack tools routine NUMROC for that.
217 :
218 : call set_up_blacs_descriptor(na ,nblk, my_prow, my_pcol, np_rows, np_cols, &
219 288 : na_rows, na_cols, sc_desc, my_blacs_ctxt, info)
220 :
221 288 : if (myid==0) then
222 192 : print '(a)','| Past scalapack descriptor setup.'
223 : end if
224 : !-------------------------------------------------------------------------------
225 : ! Allocate matrices and set up a test matrix for the eigenvalue problem
226 288 : allocate(a (na_rows,na_cols))
227 288 : allocate(z (na_rows,na_cols))
228 288 : allocate(as(na_rows,na_cols))
229 :
230 288 : allocate(ev(na))
231 :
232 288 : call prepare_matrix_random(na, myid, sc_desc, a, z, as)
233 :
234 : ! set print flag in elpa1
235 288 : elpa_print_times = .true.
236 :
237 : !-------------------------------------------------------------------------------
238 : ! Calculate eigenvalues/eigenvectors
239 :
240 288 : if (myid==0) then
241 192 : print '(a)','| Entering two-stage ELPA solver ... '
242 192 : print *
243 : end if
244 :
245 :
246 : ! ELPA is called without any kernel specification in the API,
247 : ! furthermore, if the environment variable is not set, the
248 : ! default kernel is called. Otherwise, the kernel defined in the
249 : ! environment variable
250 : #ifdef WITH_MPI
251 192 : call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
252 : #endif
253 : successELPA = elpa_solve_evp_complex_2stage_double(na, nev, a, na_rows, ev, z, na_rows, nblk, &
254 288 : na_cols, mpi_comm_rows, mpi_comm_cols, mpi_comm_world)
255 :
256 288 : if (.not.(successELPA)) then
257 0 : write(error_unit,*) "solve_evp_complex_2stage produced an error! Aborting..."
258 : #ifdef WITH_MPI
259 0 : call MPI_ABORT(mpi_comm_world, 1, mpierr)
260 : #else
261 0 : call exit(1)
262 : #endif
263 : endif
264 :
265 288 : if(myid == 0) print *,'Time transform to tridi :',time_evp_fwd
266 288 : if(myid == 0) print *,'Time solve tridi :',time_evp_solve
267 288 : if(myid == 0) print *,'Time transform back EVs :',time_evp_back
268 288 : if(myid == 0) print *,'Total time (sum above) :',time_evp_back+time_evp_solve+time_evp_fwd
269 :
270 288 : if(write_to_file%eigenvectors) then
271 0 : write(unit = task_suffix, fmt = '(i8.8)') myid
272 0 : open(17,file="EVs_complex2_out_task_"//task_suffix(1:8)//".txt",form='formatted',status='new')
273 0 : write(17,*) "Part of eigenvectors: na_rows=",na_rows,"of na=",na," na_cols=",na_cols," of na=",na
274 :
275 0 : do i=1,na_rows
276 0 : do j=1,na_cols
277 0 : write(17,*) "row=",i," col=",j," element of eigenvector=",z(i,j)
278 : enddo
279 : enddo
280 0 : close(17)
281 : endif
282 :
283 288 : if(write_to_file%eigenvalues) then
284 0 : if (myid == 0) then
285 0 : open(17,file="Eigenvalues_complex2_out.txt",form='formatted',status='new')
286 0 : do i=1,na
287 0 : write(17,*) i,ev(i)
288 : enddo
289 0 : close(17)
290 : endif
291 : endif
292 :
293 :
294 : !-------------------------------------------------------------------------------
295 : ! Test correctness of result (using plain scalapack routines)
296 288 : status = check_correctness_evp_numeric_residuals(na, nev, as, z, ev, sc_desc, nblk, myid, np_rows, np_cols, my_prow, my_pcol)
297 :
298 288 : deallocate(a)
299 288 : deallocate(as)
300 :
301 288 : deallocate(z)
302 288 : deallocate(ev)
303 :
304 : #ifdef WITH_MPI
305 192 : call blacs_gridexit(my_blacs_ctxt)
306 192 : call mpi_finalize(mpierr)
307 : #endif
308 288 : call EXIT(STATUS)
309 : end
310 :
311 : !-------------------------------------------------------------------------------
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