test_real2_default_kernel.F90 11.9 KB
Newer Older
Andreas Marek's avatar
Andreas Marek committed
1 2
!    This file is part of ELPA.
!
3
!    The ELPA library was originally created by the ELPA consortium,
Andreas Marek's avatar
Andreas Marek committed
4 5
!    consisting of the following organizations:
!
6 7
!    - Max Planck Computing and Data Facility (MPCDF), formerly known as
!      Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG),
Andreas Marek's avatar
Andreas Marek committed
8 9 10
!    - Bergische Universität Wuppertal, Lehrstuhl für angewandte
!      Informatik,
!    - Technische Universität München, Lehrstuhl für Informatik mit
11 12 13 14 15
!      Schwerpunkt Wissenschaftliches Rechnen ,
!    - Fritz-Haber-Institut, Berlin, Abt. Theorie,
!    - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
!      Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
!      and
Andreas Marek's avatar
Andreas Marek committed
16 17 18 19
!    - IBM Deutschland GmbH
!
!
!    More information can be found here:
20
!    http://elpa.mpcdf.mpg.de/
Andreas Marek's avatar
Andreas Marek committed
21 22
!
!    ELPA is free software: you can redistribute it and/or modify
23 24
!    it under the terms of the version 3 of the license of the
!    GNU Lesser General Public License as published by the Free
Andreas Marek's avatar
Andreas Marek committed
25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43
!    Software Foundation.
!
!    ELPA is distributed in the hope that it will be useful,
!    but WITHOUT ANY WARRANTY; without even the implied warranty of
!    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
!    GNU Lesser General Public License for more details.
!
!    You should have received a copy of the GNU Lesser General Public License
!    along with ELPA.  If not, see <http://www.gnu.org/licenses/>
!
!    ELPA reflects a substantial effort on the part of the original
!    ELPA consortium, and we ask you to respect the spirit of the
!    license that we chose: i.e., please contribute any changes you
!    may have back to the original ELPA library distribution, and keep
!    any derivatives of ELPA under the same license that we chose for
!    the original distribution, the GNU Lesser General Public License.
!
!
#include "config-f90.h"
44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66
!>
!> Fortran test programm to demonstrates the use of
!> ELPA 2 real case library.
!> If "HAVE_REDIRECT" was defined at build time
!> the stdout and stderr output of each MPI task
!> can be redirected to files if the environment
!> variable "REDIRECT_ELPA_TEST_OUTPUT" is set
!> to "true".
!>
!> By calling executable [arg1] [arg2] [arg3] [arg4]
!> one can define the size (arg1), the number of
!> Eigenvectors to compute (arg2), and the blocking (arg3).
!> If these values are not set default values (4000, 1500, 16)
!> are choosen.
!> If these values are set the 4th argument can be
!> "output", which specifies that the EV's are written to
!> an ascii file.
!>
!> The real ELPA 2 kernel is set as the default kernel.
!> However, this can be overriden by setting
!> the environment variable "REAL_ELPA_KERNEL" to an
!> appropiate value.
!>
Andreas Marek's avatar
Andreas Marek committed
67 68 69 70 71 72 73
program test_real2

!-------------------------------------------------------------------------------
! Standard eigenvalue problem - REAL version
!
! This program demonstrates the use of the ELPA module
! together with standard scalapack routines
74
!
Andreas Marek's avatar
Andreas Marek committed
75 76 77 78 79 80
! Copyright of the original code rests with the authors inside the ELPA
! consortium. The copyright of any additional modifications shall rest
! with their original authors, but shall adhere to the licensing terms
! distributed along with the original code in the file "COPYING".
!
!-------------------------------------------------------------------------------
81
   use precision
Andreas Marek's avatar
Andreas Marek committed
82 83
   use ELPA1
   use ELPA2
84
   use elpa_utilities, only : error_unit
85 86
   use elpa2_utilities

Andreas Marek's avatar
Andreas Marek committed
87 88 89 90 91 92
   use mod_read_input_parameters
   use mod_check_correctness
   use mod_setup_mpi
   use mod_blacs_infrastructure
   use mod_prepare_matrix

93 94 95
#ifdef WITH_OPENMP
   use test_util
#endif
Andreas Marek's avatar
Andreas Marek committed
96

97 98 99 100
#ifdef HAVE_REDIRECT
  use redirect
#endif

101 102 103
#ifdef HAVE_DETAILED_TIMINGS
 use timings
#endif
Andreas Marek's avatar
Andreas Marek committed
104 105 106 107 108 109 110 111 112 113
   implicit none
   include 'mpif.h'

   !-------------------------------------------------------------------------------
   ! Please set system size parameters below!
   ! na:   System size
   ! nev:  Number of eigenvectors to be calculated
   ! nblk: Blocking factor in block cyclic distribution
   !-------------------------------------------------------------------------------

114 115
   integer(kind=ik)           :: nblk
   integer(kind=ik)           :: na, nev
Andreas Marek's avatar
Andreas Marek committed
116

117
   integer(kind=ik)           :: np_rows, np_cols, na_rows, na_cols
Andreas Marek's avatar
Andreas Marek committed
118

119 120
   integer(kind=ik)           :: myid, nprocs, my_prow, my_pcol, mpi_comm_rows, mpi_comm_cols
   integer(kind=ik)           :: i, mpierr, my_blacs_ctxt, sc_desc(9), info, nprow, npcol
Andreas Marek's avatar
Andreas Marek committed
121

122
   integer, external          :: numroc
Andreas Marek's avatar
Andreas Marek committed
123

124
   real(kind=rk), allocatable :: a(:,:), z(:,:), tmp1(:,:), tmp2(:,:), as(:,:), ev(:)
Andreas Marek's avatar
Andreas Marek committed
125

126 127
   integer(kind=ik)           :: iseed(4096) ! Random seed, size should be sufficient for every generator
   integer(kind=ik)           :: STATUS
Andreas Marek's avatar
Andreas Marek committed
128
#ifdef WITH_OPENMP
129
   integer(kind=ik)           :: omp_get_max_threads,  required_mpi_thread_level, provided_mpi_thread_level
Andreas Marek's avatar
Andreas Marek committed
130
#endif
131 132
   logical                    :: write_to_file
   logical                    :: success
133

134
   success = .true.
Andreas Marek's avatar
Andreas Marek committed
135

Andreas Marek's avatar
Andreas Marek committed
136
   call read_input_parameters(na, nev, nblk, write_to_file)
Andreas Marek's avatar
Andreas Marek committed
137 138
   !-------------------------------------------------------------------------------
   !  MPI Initialization
Andreas Marek's avatar
Andreas Marek committed
139
   call setup_mpi(myid, nprocs)
Andreas Marek's avatar
Andreas Marek committed
140 141 142 143 144 145 146 147 148 149

   STATUS = 0

#ifdef WITH_OPENMP
   if (myid .eq. 0) then
      print *,"Threaded version of test program"
      print *,"Using ",omp_get_max_threads()," threads"
      print *," "
   endif
#endif
150 151 152 153 154 155 156 157 158 159 160 161 162 163 164
#ifdef HAVE_REDIRECT
   if (check_redirect_environment_variable()) then
     if (myid .eq. 0) then
       print *," "
       print *,"Redirection of mpi processes is used"
       print *," "
       if (create_directories() .ne. 1) then
         write(error_unit,*) "Unable to create directory for stdout and stderr!"
         stop
       endif
     endif
     call MPI_BARRIER(MPI_COMM_WORLD, mpierr)
     call redirect_stdout(myid)
   endif
#endif
Andreas Marek's avatar
Andreas Marek committed
165

Andreas Marek's avatar
Andreas Marek committed
166 167
   if (write_to_file) then
     if (myid .eq. 0) print *,"Writing output files"
Andreas Marek's avatar
Andreas Marek committed
168
   endif
169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195

#ifdef HAVE_DETAILED_TIMINGS

   ! initialise the timing functionality

#ifdef HAVE_LIBPAPI
   call timer%measure_flops(.true.)
#endif

   call timer%measure_allocated_memory(.true.)
   call timer%measure_virtual_memory(.true.)
   call timer%measure_max_allocated_memory(.true.)

   call timer%set_print_options(&
#ifdef HAVE_LIBPAPI
                print_flop_count=.true., &
                print_flop_rate=.true., &
#endif
                print_allocated_memory = .true. , &
                print_virtual_memory=.true., &
                print_max_allocated_memory=.true.)


  call timer%enable()

  call timer%start("program")
#endif
Andreas Marek's avatar
Andreas Marek committed
196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223
   !-------------------------------------------------------------------------------
   ! Selection of number of processor rows/columns
   ! We try to set up the grid square-like, i.e. start the search for possible
   ! divisors of nprocs with a number next to the square root of nprocs
   ! and decrement it until a divisor is found.

   do np_cols = NINT(SQRT(REAL(nprocs))),2,-1
      if(mod(nprocs,np_cols) == 0 ) exit
   enddo
   ! at the end of the above loop, nprocs is always divisible by np_cols

   np_rows = nprocs/np_cols

   if(myid==0) then
      print *
      print '(a)','Standard eigenvalue problem - REAL version'
      print *
      print '(3(a,i0))','Matrix size=',na,', Number of eigenvectors=',nev,', Block size=',nblk
      print '(3(a,i0))','Number of processor rows=',np_rows,', cols=',np_cols,', total=',nprocs
      print *
      print *, "This is an example how ELPA2 chooses a default kernel,"
#ifdef HAVE_ENVIRONMENT_CHECKING
      print *, "or takes the kernel defined in the environment variable,"
#endif
      print *, "since the ELPA API call does not contain any kernel specification"
      print *
      print *, " The settings are: ",trim(get_actual_real_kernel_name())," as real kernel"
      print *
224
#ifndef HAVE_ENVIRONMENT_CHECKING
Andreas Marek's avatar
Andreas Marek committed
225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240
      print *, " Notice that it is not possible with this build to set the "
      print *, " kernel via an environment variable! To change this re-install"
      print *, " the library and have a look at the log files"
#endif
   endif

   !-------------------------------------------------------------------------------
   ! Set up BLACS context and MPI communicators
   !
   ! The BLACS context is only necessary for using Scalapack.
   !
   ! For ELPA, the MPI communicators along rows/cols are sufficient,
   ! and the grid setup may be done in an arbitrary way as long as it is
   ! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
   ! process has a unique (my_prow,my_pcol) pair).

Andreas Marek's avatar
Andreas Marek committed
241 242
   call set_up_blacsgrid(mpi_comm_world, my_blacs_ctxt, np_rows, np_cols, &
                         nprow, npcol, my_prow, my_pcol)
Andreas Marek's avatar
Andreas Marek committed
243 244 245 246 247 248

   if (myid==0) then
     print '(a)','| Past BLACS_Gridinfo.'
   end if

   ! All ELPA routines need MPI communicators for communicating within
249
   ! rows or columns of processes, these are set in get_elpa_communicators.
Andreas Marek's avatar
Andreas Marek committed
250

251
   mpierr = get_elpa_communicators(mpi_comm_world, my_prow, my_pcol, &
252
                                   mpi_comm_rows, mpi_comm_cols)
Andreas Marek's avatar
Andreas Marek committed
253 254 255 256 257

   if (myid==0) then
     print '(a)','| Past split communicator setup for rows and columns.'
   end if

Andreas Marek's avatar
Andreas Marek committed
258 259
   call set_up_blacs_descriptor(na ,nblk, my_prow, my_pcol, np_rows, np_cols, &
                                na_rows, na_cols, sc_desc, my_blacs_ctxt, info)
Andreas Marek's avatar
Andreas Marek committed
260 261 262 263 264 265 266

   if (myid==0) then
     print '(a)','| Past scalapack descriptor setup.'
   end if

   !-------------------------------------------------------------------------------
   ! Allocate matrices and set up a test matrix for the eigenvalue problem
267 268 269
#ifdef HAVE_DETAILED_TIMINGS
   call timer%start("set up matrix")
#endif
Andreas Marek's avatar
Andreas Marek committed
270 271 272 273 274 275
   allocate(a (na_rows,na_cols))
   allocate(z (na_rows,na_cols))
   allocate(as(na_rows,na_cols))

   allocate(ev(na))

Andreas Marek's avatar
Andreas Marek committed
276
   call prepare_matrix(na, myid, sc_desc, iseed,  a, z, as)
Andreas Marek's avatar
Andreas Marek committed
277

278 279 280
#ifdef HAVE_DETAILED_TIMINGS
   call timer%stop("set up matrix")
#endif
Andreas Marek's avatar
Andreas Marek committed
281 282 283 284 285 286 287 288 289 290 291 292 293
   ! set print flag in elpa1
   elpa_print_times = .true.

   !-------------------------------------------------------------------------------
   ! Calculate eigenvalues/eigenvectors

   if (myid==0) then
     print '(a)','| Entering two-stage ELPA solver ... '
     print *
   end if


   ! ELPA is called without any kernel specification in the API,
294
   ! furthermore, if the environment variable is not set, the
Andreas Marek's avatar
Andreas Marek committed
295 296 297 298
   ! default kernel is called. Otherwise, the kernel defined in the
   ! environment variable

   call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
299
   success = solve_evp_real_2stage(na, nev, a, na_rows, ev, z, na_rows, nblk, &
300
                              na_cols, &
Andreas Marek's avatar
Andreas Marek committed
301 302
                              mpi_comm_rows, mpi_comm_cols, mpi_comm_world)

303 304
   if (.not.(success)) then
      write(error_unit,*) "solve_evp_real_2stage produced an error! Aborting..."
Andreas Marek's avatar
Andreas Marek committed
305
      call MPI_ABORT(mpi_comm_world, 1, mpierr)
306 307
   endif

Andreas Marek's avatar
Andreas Marek committed
308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331
   if (myid==0) then
     print '(a)','| Two-step ELPA solver complete.'
     print *
   end if

   if(myid == 0) print *,'Time transform to tridi :',time_evp_fwd
   if(myid == 0) print *,'Time solve tridi        :',time_evp_solve
   if(myid == 0) print *,'Time transform back EVs :',time_evp_back
   if(myid == 0) print *,'Total time (sum above)  :',time_evp_back+time_evp_solve+time_evp_fwd

   if(write_to_file) then
      if (myid == 0) then
         open(17,file="EVs_real2_out.txt",form='formatted',status='new')
         do i=1,na
            write(17,*) i,ev(i)
         enddo
         close(17)
      endif
   endif
   !-------------------------------------------------------------------------------
   ! Test correctness of result (using plain scalapack routines)
   allocate(tmp1(na_rows,na_cols))
   allocate(tmp2(na_rows,na_cols))

Andreas Marek's avatar
Andreas Marek committed
332
   status = check_correctness(na, nev, as, z, ev, sc_desc, myid, tmp1, tmp2)
Andreas Marek's avatar
Andreas Marek committed
333

Andreas Marek's avatar
Andreas Marek committed
334 335
   deallocate(a)
   deallocate(as)
Andreas Marek's avatar
Andreas Marek committed
336 337 338 339 340

   deallocate(z)
   deallocate(tmp1)
   deallocate(tmp2)
   deallocate(ev)
341 342 343 344 345 346 347 348 349

#ifdef HAVE_DETAILED_TIMINGS
   call timer%stop("program")
   print *," "
   print *,"Timings program:"
   call timer%print("program")
   print *," "
   print *,"End timings program"
#endif
Andreas Marek's avatar
Andreas Marek committed
350 351 352 353 354 355
   call blacs_gridexit(my_blacs_ctxt)
   call mpi_finalize(mpierr)
   call EXIT(STATUS)
end

!-------------------------------------------------------------------------------