elpa_impl.F90 37.6 KB
Newer Older
1
2
3
!
!    Copyright 2017, L. Hüdepohl and A. Marek, MPCDF
!
Andreas Marek's avatar
Andreas Marek committed
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
!    This file is part of ELPA.
!
!    The ELPA library was originally created by the ELPA consortium,
!    consisting of the following organizations:
!
!    - Max Planck Computing and Data Facility (MPCDF), formerly known as
!      Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG),
!    - Bergische Universität Wuppertal, Lehrstuhl für angewandte
!      Informatik,
!    - Technische Universität München, Lehrstuhl für Informatik mit
!      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
!    - IBM Deutschland GmbH
!
!    This particular source code file contains additions, changes and
!    enhancements authored by Intel Corporation which is not part of
!    the ELPA consortium.
!
!    More information can be found here:
!    http://elpa.mpcdf.mpg.de/
!
!    ELPA is free software: you can redistribute it and/or modify
!    it under the terms of the version 3 of the license of the
!    GNU Lesser General Public License as published by the Free
!    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.
!
48
#include "config-f90.h"
49

50
!> \brief Fortran module which provides the actual implementation of the API. Do not use directly! Use the module "elpa"
51
module elpa_impl
52
53
54
55
56
57
58
59
  use precision
  use elpa2_impl
  use elpa1_impl
  use elpa1_auxiliary_impl
  use elpa_mpi
  use elpa_generated_fortran_interfaces
  use elpa_utilities, only : error_unit

60
  use elpa_abstract_impl
Andreas Marek's avatar
Andreas Marek committed
61
#ifdef ENABLE_AUTOTUNING
62
  use elpa_autotune_impl
Andreas Marek's avatar
Andreas Marek committed
63
#endif
64
  use, intrinsic :: iso_c_binding
65
  implicit none
66

67
68
  private
  public :: elpa_impl_allocate
69

70
!> \brief Definition of the extended elpa_impl_t type
71
  type, extends(elpa_abstract_impl_t) :: elpa_impl_t
Andreas Marek's avatar
Andreas Marek committed
72
   private
73
   integer :: communicators_owned
74

75
   !> \brief methods available with the elpa_impl_t type
76
   contains
77
     !> \brief the puplic methods
78
     ! con-/destructor
79
80
     procedure, public :: setup => elpa_setup                   !< a setup method: implemented in elpa_setup
     procedure, public :: destroy => elpa_destroy               !< a destroy method: implemented in elpa_destroy
81

82
     ! KV store
83
84
85
86
     procedure, public :: is_set => elpa_is_set                 !< a method to check whether a key/value pair has been set : implemented
                                                                !< in elpa_is_set
     procedure, public :: can_set => elpa_can_set               !< a method to check whether a key/value pair can be set : implemented
                                                                !< in elpa_can_set
87

88
89
90
91

     ! timer
     procedure, public :: get_time => elpa_get_time
     procedure, public :: print_times => elpa_print_times
92
93
     procedure, public :: timer_start => elpa_timer_start
     procedure, public :: timer_stop => elpa_timer_stop
94
95


96
97
98
99
100
101
102
103
104
105
106
107
108
109
     !> \brief the implemenation methods

     procedure, public :: elpa_eigenvectors_d                  !< public methods to implement the solve step for real/complex
                                                               !< double/single matrices
     procedure, public :: elpa_eigenvectors_f
     procedure, public :: elpa_eigenvectors_dc
     procedure, public :: elpa_eigenvectors_fc

     procedure, public :: elpa_eigenvalues_d                   !< public methods to implement the solve step for real/complex
                                                               !< double/single matrices; only the eigenvalues are computed
     procedure, public :: elpa_eigenvalues_f
     procedure, public :: elpa_eigenvalues_dc
     procedure, public :: elpa_eigenvalues_fc

Pavel Kus's avatar
Pavel Kus committed
110
111
112
113
114
115
     procedure, public :: elpa_generalized_eigenvectors_d      !< public methods to implement the solve step for generalized 
                                                               !< eigenproblem and real/complex double/single matrices
     procedure, public :: elpa_generalized_eigenvectors_f
     procedure, public :: elpa_generalized_eigenvectors_dc
     procedure, public :: elpa_generalized_eigenvectors_fc

116
117
118
119
120
121
     procedure, public :: elpa_generalized_eigenvalues_d      !< public methods to implement the solve step for generalized 
                                                              !< eigenproblem and real/complex double/single matrices
     procedure, public :: elpa_generalized_eigenvalues_f
     procedure, public :: elpa_generalized_eigenvalues_dc
     procedure, public :: elpa_generalized_eigenvalues_fc

122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
     procedure, public :: elpa_hermitian_multiply_d            !< public methods to implement a "hermitian" multiplication of matrices a and b
     procedure, public :: elpa_hermitian_multiply_f            !< for real valued matrices:   a**T * b
     procedure, public :: elpa_hermitian_multiply_dc           !< for complex valued matrices:   a**H * b
     procedure, public :: elpa_hermitian_multiply_fc

     procedure, public :: elpa_cholesky_d                      !< public methods to implement the cholesky factorisation of
                                                               !< real/complex double/single matrices
     procedure, public :: elpa_cholesky_f
     procedure, public :: elpa_cholesky_dc
     procedure, public :: elpa_cholesky_fc

     procedure, public :: elpa_invert_trm_d                    !< public methods to implement the inversion of a triangular
                                                               !< real/complex double/single matrix
     procedure, public :: elpa_invert_trm_f
     procedure, public :: elpa_invert_trm_dc
     procedure, public :: elpa_invert_trm_fc

     procedure, public :: elpa_solve_tridiagonal_d             !< public methods to implement the solve step for a real valued
     procedure, public :: elpa_solve_tridiagonal_f             !< double/single tridiagonal matrix

     procedure, public :: associate_int => elpa_associate_int  !< public method to set some pointers
143

Pavel Kus's avatar
Pavel Kus committed
144
     procedure, private :: elpa_transform_generalized_d
145
     procedure, private :: elpa_transform_back_generalized_d
Pavel Kus's avatar
Pavel Kus committed
146
     procedure, private :: elpa_transform_generalized_dc
147
     procedure, private :: elpa_transform_back_generalized_dc
Pavel Kus's avatar
Pavel Kus committed
148
149
#ifdef WANT_SINGLE_PRECISION_REAL
     procedure, private :: elpa_transform_generalized_f
150
     procedure, private :: elpa_transform_back_generalized_f
Pavel Kus's avatar
Pavel Kus committed
151
152
153
#endif
#ifdef WANT_SINGLE_PRECISION_COMPLEX
     procedure, private :: elpa_transform_generalized_fc
154
     procedure, private :: elpa_transform_back_generalized_fc
Pavel Kus's avatar
Pavel Kus committed
155
#endif
156

Andreas Marek's avatar
Andreas Marek committed
157
#ifdef ENABLE_AUTOTUNING
158
     procedure, public :: autotune_setup => elpa_autotune_setup
159
160
     procedure, public :: autotune_step => elpa_autotune_step
     procedure, public :: autotune_set_best => elpa_autotune_set_best
161
     procedure, public :: autotune_print_best => elpa_autotune_print_best
Andreas Marek's avatar
Andreas Marek committed
162
#endif
163
     procedure, private :: construct_scalapack_descriptor => elpa_construct_scalapack_descriptor
164
  end type elpa_impl_t
165
166

  !> \brief the implementation of the generic methods
167
  contains
168
169


170
171
172
173
    !> \brief function to allocate an ELPA object
    !> Parameters
    !> \param   error      integer, optional to get an error code
    !> \result  obj        class(elpa_impl_t) allocated ELPA object
174
175
176
177
178
    function elpa_impl_allocate(error) result(obj)
      type(elpa_impl_t), pointer   :: obj
      integer, optional            :: error

      allocate(obj)
Andreas Marek's avatar
Andreas Marek committed
179

Andreas Marek's avatar
Andreas Marek committed
180
      ! check whether init has ever been called
181
      if ( elpa_initialized() .ne. ELPA_OK) then
182
        write(error_unit, *) "elpa_allocate(): you must call elpa_init() once before creating instances of ELPA"
183
184
        if(present(error)) then
          error = ELPA_ERROR
185
        endif
Andreas Marek's avatar
Andreas Marek committed
186
187
        return
      endif
Andreas Marek's avatar
Andreas Marek committed
188

189
      obj%index = elpa_index_instance_c()
190
191

      ! Associate some important integer pointers for convenience
192
193
194
195
196
197
198
199
      obj%na => obj%associate_int("na")
      obj%nev => obj%associate_int("nev")
      obj%local_nrows => obj%associate_int("local_nrows")
      obj%local_ncols => obj%associate_int("local_ncols")
      obj%nblk => obj%associate_int("nblk")

      if(present(error)) then
        error = ELPA_OK
200
201
      endif
    end function
Andreas Marek's avatar
Andreas Marek committed
202

203
204
205
206
207
    !c> /*! \brief C interface for the implementation of the elpa_allocate method
    !c> *
    !c> *  \param  none
    !c> *  \result elpa_t handle
    !c> */
208
    !c> elpa_t elpa_allocate(int *error);
209
    function elpa_impl_allocate_c(error) result(ptr) bind(C, name="elpa_allocate")
210
211
212
213
214
215
216
217
      integer(kind=c_int) :: error
      type(c_ptr) :: ptr
      type(elpa_impl_t), pointer :: obj

      obj => elpa_impl_allocate(error)
      ptr = c_loc(obj)
    end function

218
219
220
221
222
    !c> /*! \brief C interface for the implementation of the elpa_deallocate method
    !c> *
    !c> *  \param  elpa_t  handle of ELPA object to be deallocated
    !c> *  \result void
    !c> */
223
    !c> void elpa_deallocate(elpa_t handle);
224
    subroutine elpa_impl_deallocate_c(handle) bind(C, name="elpa_deallocate")
225
226
227
228
229
230
231
232
      type(c_ptr), value :: handle
      type(elpa_impl_t), pointer :: self

      call c_f_pointer(handle, self)
      call self%destroy()
      deallocate(self)
    end subroutine

Andreas Marek's avatar
Andreas Marek committed
233
#ifdef ENABLE_AUTOTUNING
234
235
236
237
238
    !c> /*! \brief C interface for the implementation of the elpa_autotune_deallocate method
    !c> *
    !c> *  \param  elpa_autotune_impl_t  handle of ELPA autotune object to be deallocated
    !c> *  \result void
    !c> */
239
240
241
    !c> void elpa_autotune_deallocate(elpa_autotune_t handle);
    subroutine elpa_autotune_impl_deallocate_c( autotune_handle) bind(C, name="elpa_autotune_deallocate")
      type(c_ptr), value                  :: autotune_handle
242

243
244
245
      type(elpa_autotune_impl_t), pointer :: self

      call c_f_pointer(autotune_handle, self)
246
247
248
      call self%destroy()
      deallocate(self)
    end subroutine
Andreas Marek's avatar
Andreas Marek committed
249
#endif
250

251
252
253
254
    !> \brief function to setup an ELPA object and to store the MPI communicators internally
    !> Parameters
    !> \param   self       class(elpa_impl_t), the allocated ELPA object
    !> \result  error      integer, the error code
255
    function elpa_setup(self) result(error)
256
257
      class(elpa_impl_t), intent(inout)   :: self
      integer                             :: error, timings
258

259
#ifdef WITH_MPI
260
261
262
      integer                             :: mpi_comm_parent, mpi_comm_rows, mpi_comm_cols, &
                                             mpierr, mpierr2, process_row, process_col, mpi_string_length
      character(len=MPI_MAX_ERROR_STRING) :: mpierr_string
263
#endif
264

265
#ifdef HAVE_DETAILED_TIMINGS
Andreas Marek's avatar
Andreas Marek committed
266
      call self%get("timings",timings, error)
267
268
269
270
271
272
      if (timings == 1) then
        call self%timer%enable()
      endif
#endif

      error = ELPA_OK
273

274
275
#ifdef WITH_MPI
      ! Create communicators ourselves
276
277
278
      if (self%is_set("mpi_comm_parent") == 1 .and. &
          self%is_set("process_row") == 1 .and. &
          self%is_set("process_col") == 1) then
279

Andreas Marek's avatar
Andreas Marek committed
280
281
282
        call self%get("mpi_comm_parent", mpi_comm_parent, error)
        call self%get("process_row", process_row, error)
        call self%get("process_col", process_col, error)
283
284
285
286
287
288
289

        ! mpi_comm_rows is used for communicating WITHIN rows, i.e. all processes
        ! having the same column coordinate share one mpi_comm_rows.
        ! So the "color" for splitting is process_col and the "key" is my row coordinate.
        ! Analogous for mpi_comm_cols

        call mpi_comm_split(mpi_comm_parent,process_col,process_row,mpi_comm_rows,mpierr)
290

291
292
293
294
295
296
297
298
299
300
301
302
        if (mpierr .ne. MPI_SUCCESS) then
          call MPI_ERROR_STRING(mpierr,mpierr_string, mpi_string_length, mpierr2)
          write(error_unit,*) "MPI ERROR occured during mpi_comm_split for row communicator: ", trim(mpierr_string)
          return
        endif

        call mpi_comm_split(mpi_comm_parent,process_row,process_col,mpi_comm_cols, mpierr)
        if (mpierr .ne. MPI_SUCCESS) then
          call MPI_ERROR_STRING(mpierr,mpierr_string, mpi_string_length, mpierr2)
          write(error_unit,*) "MPI ERROR occured during mpi_comm_split for col communicator: ", trim(mpierr_string)
          return
        endif
303

Andreas Marek's avatar
Andreas Marek committed
304
305
306
307
308
309
310
311
312
313
        call self%set("mpi_comm_rows", mpi_comm_rows,error)
        if (error .ne. ELPA_OK) then
          print *,"Problem setting option. Aborting..."
          stop
        endif
        call self%set("mpi_comm_cols", mpi_comm_cols,error)
        if (error .ne. ELPA_OK) then
          print *,"Problem setting option. Aborting..."
          stop
        endif
314

315
316
317
        ! remember that we created those communicators and we need to free them later
        self%communicators_owned = 1

318
        error = ELPA_OK
319
        return
320
      endif
321

322
      ! Externally supplied communicators
323
      if (self%is_set("mpi_comm_rows") == 1 .and. self%is_set("mpi_comm_cols") == 1) then
324
        self%communicators_owned = 0
325
        error = ELPA_OK
326
        return
327
      endif
328

329
330
      ! Otherwise parameters are missing
      error = ELPA_ERROR
331
#endif
332

333
    end function
334

335
336
337
338
339
340
    !c> /*! \brief C interface for the implementation of the elpa_setup method
    !c> *
    !c> *  \param  elpa_t  handle of the ELPA object which describes the problem to
    !c> *                  be set up
    !c> *  \result int     error code, which can be queried with elpa_strerr
    !c> */
341
    !c> int elpa_setup(elpa_t handle);
342
    function elpa_setup_c(handle) result(error) bind(C, name="elpa_setup")
343
344
345
346
347
348
349
350
      type(c_ptr), intent(in), value :: handle
      type(elpa_impl_t), pointer :: self
      integer(kind=c_int) :: error

      call c_f_pointer(handle, self)
      error = self%setup()
    end function

351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
    function elpa_construct_scalapack_descriptor(self, sc_desc) result(error)
      class(elpa_impl_t), intent(inout)   :: self
      integer                             :: error, blacs_ctx
      integer, intent(out)                :: sc_desc(SC_DESC_LEN)

#ifdef WITH_MPI
      if (self%is_set("blacs_context") == 0) then
        print *,"BLACS context has not been set beforehand. Aborting..."
        stop
      endif
      call self%get("blacs_context", blacs_ctx, error)

      sc_desc(1) = 1
      sc_desc(2) = blacs_ctx
      sc_desc(3) = self%na
      sc_desc(4) = self%na
      sc_desc(5) = self%nblk
      sc_desc(6) = self%nblk
      sc_desc(7) = 0
      sc_desc(8) = 0
      sc_desc(9) = self%local_nrows
#else
      sc_desc = 0
#endif
      error = ELPA_OK
    end function
377

378
379
380
381
382
383
384
385
386
    !c> /*! \brief C interface for the implementation of the elpa_set_integer method
    !c> *  This method is available to the user as C generic elpa_set method
    !c> *
    !c> *  \param  handle  handle of the ELPA object for which a key/value pair should be set
    !c> *  \param  name    the name of the key
    !c> *  \param  value   the value to be set for the key
    !c> *  \param  error   on return the error code, which can be queried with elpa_strerr()
    !c> *  \result void
    !c> */
387
    !c> void elpa_set_integer(elpa_t handle, const char *name, int value, int *error);
388
    subroutine elpa_set_integer_c(handle, name_p, value, error) bind(C, name="elpa_set_integer")
Andreas Marek's avatar
Andreas Marek committed
389
390
391
      type(c_ptr), intent(in), value                :: handle
      type(elpa_impl_t), pointer                    :: self
      type(c_ptr), intent(in), value                :: name_p
392
      character(len=elpa_strlen_c(name_p)), pointer :: name
Andreas Marek's avatar
Andreas Marek committed
393
394
395
396
397
398
399
      integer(kind=c_int), intent(in), value        :: value

#ifdef USE_FORTRAN2008
      integer(kind=c_int) , intent(in), optional    :: error
#else
      integer(kind=c_int) , intent(in)              :: error
#endif
400
401
402
403
404
405
406

      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
      call elpa_set_integer(self, name, value, error)
    end subroutine


407
408
409
410
411
412
413
414
415
    !c> /*! \brief C interface for the implementation of the elpa_get_integer method
    !c> *  This method is available to the user as C generic elpa_get method
    !c> *
    !c> *  \param  handle  handle of the ELPA object for which a key/value pair should be queried
    !c> *  \param  name    the name of the key
    !c> *  \param  value   the value to be obtain for the key
    !c> *  \param  error   on return the error code, which can be queried with elpa_strerr()
    !c> *  \result void
    !c> */
416
417
    !c> void elpa_get_integer(elpa_t handle, const char *name, int *value, int *error);
    subroutine elpa_get_integer_c(handle, name_p, value, error) bind(C, name="elpa_get_integer")
Andreas Marek's avatar
Andreas Marek committed
418
419
420
      type(c_ptr), intent(in), value                :: handle
      type(elpa_impl_t), pointer                    :: self
      type(c_ptr), intent(in), value                :: name_p
Andreas Marek's avatar
Andreas Marek committed
421
      character(len=elpa_strlen_c(name_p)), pointer :: name
Andreas Marek's avatar
Andreas Marek committed
422
423
424
425
426
427
      integer(kind=c_int)                           :: value
#ifdef ISE_FORTRAN2008
      integer(kind=c_int), intent(inout), optional  :: error
#else
      integer(kind=c_int), intent(inout)            :: error
#endif
Andreas Marek's avatar
Andreas Marek committed
428
429
      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
430
431
      call elpa_get_integer(self, name, value, error)
    end subroutine
Andreas Marek's avatar
Andreas Marek committed
432
433


434
435
436
437
438
    !> \brief function to check whether a key/value pair is set
    !> Parameters
    !> \param   self       class(elpa_impl_t) the allocated ELPA object
    !> \param   name       string, the key
    !> \result  state      integer, the state of the key/value pair
439
440
    function elpa_is_set(self, name) result(state)
      class(elpa_impl_t)       :: self
441
      character(*), intent(in) :: name
442
      integer                  :: state
443

444
      state = elpa_index_value_is_set_c(self%index, name // c_null_char)
445
446
    end function

447
448
449
450
451
452
    !> \brief function to check whether a key/value pair can be set
    !> Parameters
    !> \param   self       class(elpa_impl_t) the allocated ELPA object
    !> \param   name       string, the key
    !> \param   value      integer, value
    !> \result  error      integer, error code
453
454
455
456
457
458
459
460
461
462
    function elpa_can_set(self, name, value) result(error)
      class(elpa_impl_t)       :: self
      character(*), intent(in) :: name
      integer(kind=c_int), intent(in) :: value
      integer                  :: error

      error = elpa_index_int_is_valid_c(self%index, name // c_null_char, value)
    end function


463
464
465
466
467
468
    !> \brief function to convert a value to an human readable string
    !> Parameters
    !> \param   self        class(elpa_impl_t) the allocated ELPA object
    !> \param   option_name string: the name of the options, whose value should be converted
    !> \param   error       integer: errpr code
    !> \result  string      string: the humanreadable string   
469
    function elpa_value_to_string(self, option_name, error) result(string)
470
471
      class(elpa_impl_t), intent(in) :: self
      character(kind=c_char, len=*), intent(in) :: option_name
472
473
474
475
      type(c_ptr) :: ptr
      integer, intent(out), optional :: error
      integer :: val, actual_error
      character(kind=c_char, len=elpa_index_int_value_to_strlen_c(self%index, option_name // C_NULL_CHAR)), pointer :: string
476

477
478
      nullify(string)

479
      call self%get(option_name, val, actual_error)
480
481
482
483
484
      if (actual_error /= ELPA_OK) then
        if (present(error)) then
          error = actual_error
        endif
        return
485
486
      endif

487
488
489
490
      actual_error = elpa_int_value_to_string_c(option_name // C_NULL_CHAR, val, ptr)
      if (c_associated(ptr)) then
        call c_f_pointer(ptr, string)
      endif
491

492
493
494
495
      if (present(error)) then
        error = actual_error
      endif
    end function
496

Andreas Marek's avatar
Andreas Marek committed
497

498
499
500
501
502
503
504
505
506
    !c> /*! \brief C interface for the implementation of the elpa_set_double method
    !c> *  This method is available to the user as C generic elpa_set method
    !c> *
    !c> *  \param  handle  handle of the ELPA object for which a key/value pair should be set
    !c> *  \param  name    the name of the key
    !c> *  \param  value   the value to be set for the key
    !c> *  \param  error   on return the error code, which can be queried with elpa_strerr()
    !c> *  \result void
    !c> */
507
    !c> void elpa_set_double(elpa_t handle, const char *name, double value, int *error);
508
    subroutine elpa_set_double_c(handle, name_p, value, error) bind(C, name="elpa_set_double")
Andreas Marek's avatar
Andreas Marek committed
509
510
511
      type(c_ptr), intent(in), value                :: handle
      type(elpa_impl_t), pointer                    :: self
      type(c_ptr), intent(in), value                :: name_p
512
      character(len=elpa_strlen_c(name_p)), pointer :: name
Andreas Marek's avatar
Andreas Marek committed
513
514
515
516
517
518
      real(kind=c_double), intent(in), value        :: value
#ifdef USE_FORTRAN2008
      integer(kind=c_int), intent(in), optional     :: error
#else
      integer(kind=c_int), intent(in)               :: error
#endif
519
520
521
522
523
      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
      call elpa_set_double(self, name, value, error)
    end subroutine

524

525
    !c> /*! \brief C interface for the implementation of the elpa_get_double method
526
527
528
529
530
531
532
533
    !c> *  This method is available to the user as C generic elpa_get method
    !c> *
    !c> *  \param  handle  handle of the ELPA object for which a key/value pair should be queried
    !c> *  \param  name    the name of the key
    !c> *  \param  value   the value to be obtain for the key
    !c> *  \param  error   on return the error code, which can be queried with elpa_strerr()
    !c> *  \result void
    !c> */
534
535
    !c> void elpa_get_double(elpa_t handle, const char *name, double *value, int *error);
    subroutine elpa_get_double_c(handle, name_p, value, error) bind(C, name="elpa_get_double")
Andreas Marek's avatar
Andreas Marek committed
536
537
538
      type(c_ptr), intent(in), value                :: handle
      type(elpa_impl_t), pointer                    :: self
      type(c_ptr), intent(in), value                :: name_p
Andreas Marek's avatar
Andreas Marek committed
539
      character(len=elpa_strlen_c(name_p)), pointer :: name
Andreas Marek's avatar
Andreas Marek committed
540
541
542
543
544
545
      real(kind=c_double)                           :: value
#ifdef USE_FORTRAN2008
      integer(kind=c_int), intent(inout), optional  :: error
#else
      integer(kind=c_int), intent(inout)            :: error
#endif
Andreas Marek's avatar
Andreas Marek committed
546
547
      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
548
549
      call elpa_get_double(self, name, value, error)
    end subroutine
550
 
Andreas Marek's avatar
Andreas Marek committed
551

552
553
554
555
556
    !> \brief function to associate a pointer with an integer value
    !> Parameters
    !> \param   self        class(elpa_impl_t) the allocated ELPA object
    !> \param   name        string: the name of the entry
    !> \result  value       integer, pointer: the value for the entry
557
    function elpa_associate_int(self, name) result(value)
558
      class(elpa_impl_t)             :: self
559
560
      character(*), intent(in)       :: name
      integer(kind=c_int), pointer   :: value
Andreas Marek's avatar
Andreas Marek committed
561

562
563
      type(c_ptr)                    :: value_p

564
      value_p = elpa_index_get_int_loc_c(self%index, name // c_null_char)
565
566
567
      if (.not. c_associated(value_p)) then
        write(error_unit, '(a,a,a)') "ELPA: Warning, received NULL pointer for entry '", name, "'"
      endif
568
569
      call c_f_pointer(value_p, value)
    end function
Andreas Marek's avatar
Andreas Marek committed
570

571

572
573
574
575
576
577
578
    !> \brief function to querry the timing information at a certain level
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
    !> \param   name1 .. name6  string: the string identifier for the timer region.
    !>                                  at the moment 6 nested levels can be queried
    !> \result  s               double: the timer metric for the region. Might be seconds,
    !>                                  or any other supported metric
579
580
581
582
583
584
    function elpa_get_time(self, name1, name2, name3, name4, name5, name6) result(s)
      class(elpa_impl_t), intent(in) :: self
      ! this is clunky, but what can you do..
      character(len=*), intent(in), optional :: name1, name2, name3, name4, name5, name6
      real(kind=c_double) :: s

585
#ifdef HAVE_DETAILED_TIMINGS
586
      s = self%timer%get(name1, name2, name3, name4, name5, name6)
587
588
589
#else
      s = -1.0
#endif
590
591
592
    end function


593
594
595
596
597
    !> \brief function to print the timing tree below at a certain level
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
    !> \param   name1 .. name6  string: the string identifier for the timer region.
    !>                                  at the moment 4 nested levels can be specified
598
    subroutine elpa_print_times(self, name1, name2, name3, name4)
599
      class(elpa_impl_t), intent(in) :: self
600
      character(len=*), intent(in), optional :: name1, name2, name3, name4
601
#ifdef HAVE_DETAILED_TIMINGS
602
      call self%timer%print(name1, name2, name3, name4)
603
#endif
604
605
    end subroutine

606

607
608
609
610
    !> \brief function to start the timing of a code region
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
    !> \param   name            string: a chosen identifier name for the code region
611
612
613
614
615
616
617
618
619
    subroutine elpa_timer_start(self, name)
      class(elpa_impl_t), intent(inout) :: self
      character(len=*), intent(in) :: name
#ifdef HAVE_DETAILED_TIMINGS
      call self%timer%start(name)
#endif
    end subroutine


620
621
622
623
    !> \brief function to stop the timing of a code region
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
    !> \param   name            string: identifier name for the code region to stop
624
625
626
627
628
629
630
631
632
    subroutine elpa_timer_stop(self, name)
      class(elpa_impl_t), intent(inout) :: self
      character(len=*), intent(in) :: name
#ifdef HAVE_DETAILED_TIMINGS
      call self%timer%stop(name)
#endif
    end subroutine


633
634
635
    !> \brief function to destroy an elpa object
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
636
    subroutine elpa_destroy(self)
637
#ifdef WITH_MPI
Andreas Marek's avatar
Andreas Marek committed
638
      integer :: mpi_comm_rows, mpi_comm_cols, mpierr, error
639
#endif
640
      class(elpa_impl_t) :: self
641
642
643

#ifdef WITH_MPI
      if (self%communicators_owned == 1) then
Andreas Marek's avatar
Andreas Marek committed
644
645
646
647
648
649
650
651
652
653
        call self%get("mpi_comm_rows", mpi_comm_rows,error)
        if (error .ne. ELPA_OK) then
           print *,"Problem getting option. Aborting..."
           stop
        endif
        call self%get("mpi_comm_cols", mpi_comm_cols,error)
        if (error .ne. ELPA_OK) then
           print *,"Problem getting option. Aborting..."
           stop
        endif
654

655
656
657
658
659
        call mpi_comm_free(mpi_comm_rows, mpierr)
        call mpi_comm_free(mpi_comm_cols, mpierr)
      endif
#endif

660
      call timer_free(self%timer)
661
      call timer_free(self%autotune_timer)
662
663
      call elpa_index_free_c(self%index)

664
    end subroutine
Andreas Marek's avatar
Andreas Marek committed
665

Pavel Kus's avatar
Pavel Kus committed
666
667
#define REALCASE 1
#define DOUBLE_PRECISION 1
Andreas Marek's avatar
Andreas Marek committed
668
#define INCLUDE_ROUTINES 1
Pavel Kus's avatar
Pavel Kus committed
669
#include "general/precision_macros.h"
Andreas Marek's avatar
Andreas Marek committed
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
704
705
706
707
708
709
#include "elpa_impl_math_template.F90"
#undef REALCASE
#undef DOUBLE_PRECISION
#undef INCLUDE_ROUTINES

#ifdef WANT_SINGLE_PRECISION_REAL
#define INCLUDE_ROUTINES 1
#endif
#define REALCASE 1
#define SINGLE_PRECISION 1
#include "general/precision_macros.h"
#include "elpa_impl_math_template.F90"
#undef REALCASE
#undef SINGLE_PRECISION
#undef INCLUDE_ROUTINES

#define COMPLEXCASE 1
#define DOUBLE_PRECISION 1
#define INCLUDE_ROUTINES 1
#include "general/precision_macros.h"
#include "elpa_impl_math_template.F90"
#undef DOUBLE_PRECISION
#undef COMPLEXCASE
#undef INCLUDE_ROUTINES

#ifdef WANT_SINGLE_PRECISION_COMPLEX
#define INCLUDE_ROUTINES 1
#endif
#define COMPLEXCASE 1
#define SINGLE_PRECISION
#include "general/precision_macros.h"
#include "elpa_impl_math_template.F90"
#undef COMPLEXCASE
#undef SINGLE_PRECISION
#undef INCLUDE_ROUTINES

#define REALCASE 1
#define DOUBLE_PRECISION 1
#include "general/precision_macros.h"
#include "elpa_impl_generalized_transform_template.F90"
Pavel Kus's avatar
Pavel Kus committed
710
711
712
713
714
715
716
#undef REALCASE
#undef DOUBLE_PRECISION

#ifdef WANT_SINGLE_PRECISION_REAL
#define REALCASE 1
#define SINGLE_PRECISION 1
#include "general/precision_macros.h"
Andreas Marek's avatar
Andreas Marek committed
717
#include "elpa_impl_generalized_transform_template.F90"
Pavel Kus's avatar
Pavel Kus committed
718
719
#undef REALCASE
#undef SINGLE_PRECISION
Andreas Marek's avatar
Andreas Marek committed
720
#endif
Pavel Kus's avatar
Pavel Kus committed
721
722

#define COMPLEXCASE 1
Andreas Marek's avatar
Andreas Marek committed
723

Pavel Kus's avatar
Pavel Kus committed
724
725
#define DOUBLE_PRECISION 1
#include "general/precision_macros.h"
Andreas Marek's avatar
Andreas Marek committed
726
#include "elpa_impl_generalized_transform_template.F90"
Pavel Kus's avatar
Pavel Kus committed
727
728
729
730
731
732
733
#undef DOUBLE_PRECISION
#undef COMPLEXCASE

#ifdef WANT_SINGLE_PRECISION_COMPLEX
#define COMPLEXCASE 1
#define SINGLE_PRECISION
#include "general/precision_macros.h"
Andreas Marek's avatar
Andreas Marek committed
734
#include "elpa_impl_generalized_transform_template.F90"
Pavel Kus's avatar
Pavel Kus committed
735
736
#undef COMPLEXCASE
#undef SINGLE_PRECISION
Andreas Marek's avatar
Andreas Marek committed
737
738
#endif

Andreas Marek's avatar
Andreas Marek committed
739
#ifdef ENABLE_AUTOTUNING
740
741
    !> \brief function to setup the ELPA autotuning and create the autotune object
    !> Parameters
742
    !> \param   self            the allocated ELPA object
743
744
    !> \param   level           integer: the "thoroughness" of the planed autotuning
    !> \param   domain          integer: the domain (real/complex) which should be tuned
745
    !> \result  tune_state      the created autotuning object
746
    function elpa_autotune_setup(self, level, domain, error) result(tune_state)
747
      class(elpa_impl_t), intent(inout), target :: self
Andreas Marek's avatar
Andreas Marek committed
748
749
750
      integer, intent(in)                       :: level, domain
      type(elpa_autotune_impl_t), pointer       :: ts_impl
      class(elpa_autotune_t), pointer           :: tune_state
751
752
753
754
755
#ifdef USE_FORTRAN2008
      integer(kind=c_int), optional             :: error
#else
      integer(kind=c_int)                       :: error
#endif
756

757
758
759
760
761
762
763
#ifdef USE_FORTRAN2008
      if (present(error)) then
        error = ELPA_OK
      endif
#else
      error = ELPA_OK
#endif
Andreas Marek's avatar
Andreas Marek committed
764
      if (elpa_get_api_version() < EARLIEST_AUTOTUNE_VERSION) then
765
766
767
768
769
770
771
772
773
        write(error_unit, "(a,i0,a)") "ELPA: Error API version: Autotuning does not support ", elpa_get_api_version()
#ifdef USE_FORTRAN2008
        if (present(error)) then
          error = ELPA_ERROR
        endif
#else
        error = ELPA_ERROR
#endif
        return
Andreas Marek's avatar
Andreas Marek committed
774
775
      endif

776
777
778
779
780
781
782
783
784
785
786
787
788
789
790
      allocate(ts_impl)
      ts_impl%parent => self
      ts_impl%level = level
      ts_impl%domain = domain

      ts_impl%i = -1
      ts_impl%min_loc = -1
      ts_impl%N = elpa_index_autotune_cardinality_c(self%index, level, domain)

      tune_state => ts_impl

      call self%autotune_timer%enable()
    end function


Andreas Marek's avatar
Andreas Marek committed
791

792
793
794
795
796
797
798
    !c> /*! \brief C interface for the implementation of the elpa_autotune_setup method
    !c> *
    !c> *  \param  elpa_t           handle: of the ELPA object which should be tuned
    !c> *  \param  int              level:  "thoroughness" of autotuning
    !c> *  \param  int              domain: real/complex autotuning
    !c> *  \result elpa_autotune_t  handle:  on the autotune object
    !c> */
799
800
    !c> elpa_autotune_t elpa_autotune_setup(elpa_t handle, int level, int domain, int *error);
    function elpa_autotune_setup_c(handle ,level, domain, error) result(ptr) bind(C, name="elpa_autotune_setup")
801
802
803
804
805
806
807
      type(c_ptr), intent(in), value         :: handle
      type(elpa_impl_t), pointer             :: self
      class(elpa_autotune_t), pointer        :: tune_state
      type(elpa_autotune_impl_t), pointer    :: obj        
      integer(kind=c_int), intent(in), value :: level
      integer(kind=c_int), intent(in), value :: domain
      type(c_ptr)                            :: ptr
808
809
810
811
812
#ifdef USE_FORTRAN2008
      integer(kind=c_int) , intent(in), optional    :: error
#else
      integer(kind=c_int) , intent(in)              :: error
#endif
813
814

      call c_f_pointer(handle, self)
815

816
      tune_state => self%autotune_setup(level, domain, error)
817
      select type(tune_state)
818
        type is (elpa_autotune_impl_t)
819
820
821
          obj => tune_state
        class default
          print *, "This should not happen"
822
          stop
823
824
      end select                
      ptr = c_loc(obj)
825

826
    end function
827
828


829
830
831
832
833
    !> \brief function to do an autotunig step
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
    !> \param   tune_state      class(elpa_autotune_t): the autotuning object
    !> \result  unfinished      logical: describes the state of the autotuning (completed/uncompleted)
834
835
836
837
838
839
840
841
842
843
    function elpa_autotune_step(self, tune_state) result(unfinished)
      implicit none
      class(elpa_impl_t), intent(inout) :: self
      class(elpa_autotune_t), intent(inout), target :: tune_state
      type(elpa_autotune_impl_t), pointer :: ts_impl
      logical :: unfinished
      integer :: i
      real(kind=C_DOUBLE) :: time_spent

      select type(tune_state)
844
        type is (elpa_autotune_impl_t)
845
846
847
848
849
850
851
852
          ts_impl => tune_state
        class default
          print *, "This should not happen"
      end select

      unfinished = .false.

      if (ts_impl%i >= 0) then
853
#ifdef HAVE_DETAILED_TIMINGS
854
        time_spent = self%autotune_timer%get("accumulator")
855
856
#else
        print *, "Cannot do autotuning without detailed timings"
857
#endif
858
859
860
861
862
863
864
        if (ts_impl%min_loc == -1 .or. (time_spent < ts_impl%min_val)) then
          ts_impl%min_val = time_spent
          ts_impl%min_loc = ts_impl%i
        end if
        call self%autotune_timer%free()
      endif

865
      do while (ts_impl%i < ts_impl%N - 1)
866
867
868
869
870
871
872
873
874
875
        ts_impl%i = ts_impl%i + 1
        if (elpa_index_set_autotune_parameters_c(self%index, ts_impl%level, ts_impl%domain, ts_impl%i) == 1) then
          unfinished = .true.
          return
        end if
      end do

    end function


876
877
878
879
880
881
882
883
884
885
886
887
888
889
890
891
892
893
894
895
896
897
898
899
900
901
902
903
904
905

    !c> /*! \brief C interface for the implementation of the elpa_autotune_step method
    !c> *
    !c> *  \param  elpa_t           handle: of the ELPA object which should be tuned
    !c> *  \param  elpa_autotune_t  autotune_handle: the autotuning object
    !c> *  \result int              unfinished:  describes whether autotuning finished (0) or not (1)
    !c> */
    !c> int elpa_autotune_step(elpa_t handle, elpa_autotune_t autotune_handle);
    function elpa_autotune_step_c(handle, autotune_handle) result(unfinished) bind(C, name="elpa_autotune_step")
      type(c_ptr), intent(in), value       :: handle
      type(c_ptr), intent(in), value       :: autotune_handle
      type(elpa_impl_t), pointer           :: self
      type(elpa_autotune_impl_t), pointer  :: tune_state
      logical                              :: unfinished_f
      integer(kind=c_int)                  :: unfinished

      call c_f_pointer(handle, self)
      call c_f_pointer(autotune_handle, tune_state)

      unfinished_f = self%autotune_step(tune_state)
      if (unfinished_f) then
        unfinished = 1
      else
        unfinished = 0
      endif

    end function



906
907
908
909
    !> \brief function to set the up-to-know best options of the autotuning
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
    !> \param   tune_state      class(elpa_autotune_t): the autotuning object
910
911
912
913
914
915
916
    subroutine elpa_autotune_set_best(self, tune_state)
      implicit none
      class(elpa_impl_t), intent(inout) :: self
      class(elpa_autotune_t), intent(in), target :: tune_state
      type(elpa_autotune_impl_t), pointer :: ts_impl

      select type(tune_state)
917
        type is (elpa_autotune_impl_t)
918
919
920
921
922
923
924
925
926
          ts_impl => tune_state
        class default
          print *, "This should not happen"
      end select

      if (elpa_index_set_autotune_parameters_c(self%index, ts_impl%level, ts_impl%domain, ts_impl%min_loc) /= 1) then
        stop "This should not happen (in elpa_autotune_set_best())"
      endif
    end subroutine
Andreas Marek's avatar
Andreas Marek committed
927

928
929


930
931
932
933
934
935
936
937
938
939
940
941
942
943
944
945
946
947
948
949
950
951
952
953
954
955
    !> \brief function to print the up-to-know best options of the autotuning
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
    !> \param   tune_state      class(elpa_autotune_t): the autotuning object
    subroutine elpa_autotune_print_best(self, tune_state)
      implicit none
      class(elpa_impl_t), intent(inout) :: self
      class(elpa_autotune_t), intent(in), target :: tune_state
      type(elpa_autotune_impl_t), pointer :: ts_impl

      select type(tune_state)
        type is (elpa_autotune_impl_t)
          ts_impl => tune_state
        class default
          print *, "This should not happen"
      end select

      print *, "The following settings were found to be best:"
      print *, "Best, i = ", ts_impl%min_loc, "best time = ", ts_impl%min_val
      if (elpa_index_print_autotune_parameters_c(self%index, ts_impl%level, ts_impl%domain, ts_impl%min_loc) /= 1) then
        stop "This should not happen (in elpa_autotune_print_best())"
      endif
    end subroutine



956
957
958
959
960
961
962
963
964
965
966
967
968
969
970
971
972
973
974
    !c> /*! \brief C interface for the implementation of the elpa_autotune_set_best method
    !c> *
    !c> *  \param  elpa_t           handle: of the ELPA object which should be tuned
    !c> *  \param  elpa_autotune_t  autotune_handle: the autotuning object
    !c> *  \result none 
    !c> */
    !c> void elpa_autotune_set_best(elpa_t handle, elpa_autotune_t autotune_handle);
    subroutine elpa_autotune_set_best_c(handle, autotune_handle) bind(C, name="elpa_autotune_set_best")
      type(c_ptr), intent(in), value       :: handle
      type(c_ptr), intent(in), value       :: autotune_handle
      type(elpa_impl_t), pointer           :: self
      type(elpa_autotune_impl_t), pointer  :: tune_state

      call c_f_pointer(handle, self)
      call c_f_pointer(autotune_handle, tune_state)

      call self%autotune_set_best(tune_state)

    end subroutine
975
976
977
978
979
980
981
982
983
984
985
986
987
988
989
990
991
992
993
994
995
996



    !c> /*! \brief C interface for the implementation of the elpa_autotune_print_best method
    !c> *
    !c> *  \param  elpa_t           handle: of the ELPA object which should be tuned
    !c> *  \param  elpa_autotune_t  autotune_handle: the autotuning object
    !c> *  \result none 
    !c> */
    !c> void elpa_autotune_print_best(elpa_t handle, elpa_autotune_t autotune_handle);
    subroutine elpa_autotune_print_best_c(handle, autotune_handle) bind(C, name="elpa_autotune_print_best")
      type(c_ptr), intent(in), value       :: handle
      type(c_ptr), intent(in), value       :: autotune_handle
      type(elpa_impl_t), pointer           :: self
      type(elpa_autotune_impl_t), pointer  :: tune_state

      call c_f_pointer(handle, self)
      call c_f_pointer(autotune_handle, tune_state)

      call self%autotune_print_best(tune_state)

    end subroutine
Andreas Marek's avatar
Andreas Marek committed
997
#endif
998
999


1000
end module