test_elpa2_real_default_kernel.F90 12.8 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.
!>
67
program test_real2_default_kernel_double_precision
Andreas Marek's avatar
Andreas Marek committed
68 69 70 71 72 73

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

85
   use mod_check_for_gpu, only : check_for_gpu
86
   use elpa_utilities, only : error_unit
87
   use elpa2_utilities, only : get_actual_real_kernel_name
Andreas Marek's avatar
Andreas Marek committed
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
   use elpa_mpi
94 95 96
#ifdef WITH_OPENMP
   use test_util
#endif
Andreas Marek's avatar
Andreas Marek committed
97

98 99 100 101
#ifdef HAVE_REDIRECT
  use redirect
#endif

102 103 104
#ifdef HAVE_DETAILED_TIMINGS
 use timings
#endif
105
 use output_types
Andreas Marek's avatar
Andreas Marek committed
106 107 108 109 110 111 112 113 114
   implicit none

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

115 116
   integer(kind=ik)           :: nblk
   integer(kind=ik)           :: na, nev
Andreas Marek's avatar
Andreas Marek committed
117

118
   integer(kind=ik)           :: np_rows, np_cols, na_rows, na_cols
Andreas Marek's avatar
Andreas Marek committed
119

120 121
   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
122

123
   integer(kind=ik), external :: numroc
Andreas Marek's avatar
Andreas Marek committed
124

125
   real(kind=rk8), allocatable :: a(:,:), z(:,:), tmp1(:,:), tmp2(:,:), as(:,:), ev(:)
Andreas Marek's avatar
Andreas Marek committed
126

127 128
   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
129
#ifdef WITH_OPENMP
130
   integer(kind=ik)           :: omp_get_max_threads,  required_mpi_thread_level, provided_mpi_thread_level
Andreas Marek's avatar
Andreas Marek committed
131
#endif
132 133 134
   logical                    :: successELPA, success
   integer(kind=ik)           :: numberOfDevices
   logical                    :: gpuAvailable
135
   type(output_t)             :: write_to_file
136 137
   character(len=8)           :: task_suffix
   integer(kind=ik)           :: j
138

139 140
#define DOUBLE_PRECISION_REAL 1

141 142
   successELPA = .true.
   gpuAvailable  = .false.
Andreas Marek's avatar
Andreas Marek committed
143

Andreas Marek's avatar
Andreas Marek committed
144
   call read_input_parameters(na, nev, nblk, write_to_file)
Andreas Marek's avatar
Andreas Marek committed
145 146
   !-------------------------------------------------------------------------------
   !  MPI Initialization
Andreas Marek's avatar
Andreas Marek committed
147
   call setup_mpi(myid, nprocs)
Andreas Marek's avatar
Andreas Marek committed
148

149
   gpuAvailable = check_for_gpu(myid, numberOfDevices)
150

Andreas Marek's avatar
Andreas Marek committed
151 152
   STATUS = 0

Andreas Marek's avatar
Andreas Marek committed
153
#define REALCASE
154
#include "elpa_test_programs_print_headers.X90"
155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179

#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()

180
  call timer%start("program: test_real2_default_kernel_double_precision")
181
#endif
Andreas Marek's avatar
Andreas Marek committed
182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197
   !-------------------------------------------------------------------------------
   ! 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'
198 199 200
      if (gpuAvailable) then
        print *,"with GPU version"
      endif
Andreas Marek's avatar
Andreas Marek committed
201 202 203 204 205 206 207 208 209 210 211 212
      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 *
213 214 215 216 217 218
#ifdef WITH_ONE_SPECIFIC_COMPLEX_KERNEL
      print *," However, this version of ELPA was build with only one of all the available"
      print *," kernels, thus it will not be successful to call ELPA with another "
      print *," kernel than the one specified at compile time!"
#endif
      print *," "
219
#ifndef HAVE_ENVIRONMENT_CHECKING
Andreas Marek's avatar
Andreas Marek committed
220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235
      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
236 237
   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
238 239 240 241 242 243

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

   ! All ELPA routines need MPI communicators for communicating within
244
   ! rows or columns of processes, these are set in get_elpa_communicators.
Andreas Marek's avatar
Andreas Marek committed
245

246
   mpierr = get_elpa_communicators(mpi_comm_world, my_prow, my_pcol, &
247
                                   mpi_comm_rows, mpi_comm_cols)
Andreas Marek's avatar
Andreas Marek committed
248 249 250 251 252

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

Andreas Marek's avatar
Andreas Marek committed
253 254
   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
255 256 257 258 259 260 261

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

   !-------------------------------------------------------------------------------
   ! Allocate matrices and set up a test matrix for the eigenvalue problem
262 263 264
#ifdef HAVE_DETAILED_TIMINGS
   call timer%start("set up matrix")
#endif
Andreas Marek's avatar
Andreas Marek committed
265 266 267 268 269 270
   allocate(a (na_rows,na_cols))
   allocate(z (na_rows,na_cols))
   allocate(as(na_rows,na_cols))

   allocate(ev(na))

271
   call prepare_matrix_double(na, myid, sc_desc, iseed,  a, z, as)
Andreas Marek's avatar
Andreas Marek committed
272

273 274 275
#ifdef HAVE_DETAILED_TIMINGS
   call timer%stop("set up matrix")
#endif
Andreas Marek's avatar
Andreas Marek committed
276 277 278 279 280 281 282 283 284 285 286 287 288
   ! 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,
289
   ! furthermore, if the environment variable is not set, the
Andreas Marek's avatar
Andreas Marek committed
290 291
   ! default kernel is called. Otherwise, the kernel defined in the
   ! environment variable
292
#ifdef WITH_MPI
Andreas Marek's avatar
Andreas Marek committed
293
   call mpi_barrier(mpi_comm_world, mpierr) ! for correct timings only
294
#endif
295
   successELPA = solve_evp_real_2stage_double(na, nev, a, na_rows, ev, z, na_rows, nblk, &
296
                              na_cols, mpi_comm_rows, mpi_comm_cols, mpi_comm_world)
Andreas Marek's avatar
Andreas Marek committed
297

298
   if (.not.(successELPA)) then
299
      write(error_unit,*) "solve_evp_real_2stage produced an error! Aborting..."
300
#ifdef WITH_MPI
Andreas Marek's avatar
Andreas Marek committed
301
      call MPI_ABORT(mpi_comm_world, 1, mpierr)
302
#endif
303 304
   endif

Andreas Marek's avatar
Andreas Marek committed
305 306 307 308 309 310 311 312 313 314
   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

315
   if(write_to_file%eigenvectors) then
316 317 318 319 320 321 322 323 324 325
      write(unit = task_suffix, fmt = '(i8.8)') myid
     open(17,file="EVs_real2_out_task_"//task_suffix(1:8)//".txt",form='formatted',status='new')
     write(17,*) "Part of eigenvectors: na_rows=",na_rows,"of na=",na," na_cols=",na_cols," of na=",na

     do i=1,na_rows
       do j=1,na_cols
         write(17,*) "row=",i," col=",j," element of eigenvector=",z(i,j)
       enddo
     enddo
     close(17)
Andreas Marek's avatar
Andreas Marek committed
326
   endif
327
   if(write_to_file%eigenvalues) then
Andreas Marek's avatar
Andreas Marek committed
328
      if (myid == 0) then
329
         open(17,file="Eigenvalues_real2_out.txt",form='formatted',status='new')
Andreas Marek's avatar
Andreas Marek committed
330 331 332 333 334 335
         do i=1,na
            write(17,*) i,ev(i)
         enddo
         close(17)
      endif
   endif
336 337


Andreas Marek's avatar
Andreas Marek committed
338 339 340 341 342
   !-------------------------------------------------------------------------------
   ! Test correctness of result (using plain scalapack routines)
   allocate(tmp1(na_rows,na_cols))
   allocate(tmp2(na_rows,na_cols))

343
   status = check_correctness_double(na, nev, as, z, ev, sc_desc, myid, tmp1, tmp2)
Andreas Marek's avatar
Andreas Marek committed
344

Andreas Marek's avatar
Andreas Marek committed
345 346
   deallocate(a)
   deallocate(as)
Andreas Marek's avatar
Andreas Marek committed
347 348 349 350 351

   deallocate(z)
   deallocate(tmp1)
   deallocate(tmp2)
   deallocate(ev)
352 353

#ifdef HAVE_DETAILED_TIMINGS
354
   call timer%stop("program: test_real2_default_kernel_double_precision")
355
   print *," "
356 357
   print *,"Timings program: test_real2_default_kernel_double_precision"
   call timer%print("program: test_real2_default_kernel_double_precision")
358
   print *," "
359
   print *,"End timings program: test_real2_default_kernel_double_precision"
360
#endif
361
#ifdef WITH_MPI
Andreas Marek's avatar
Andreas Marek committed
362 363
   call blacs_gridexit(my_blacs_ctxt)
   call mpi_finalize(mpierr)
364
#endif
Andreas Marek's avatar
Andreas Marek committed
365 366 367 368
   call EXIT(STATUS)
end

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