There is a maintenance of MPCDF Gitlab on Thursday, April 22st 2020, 9:00 am CEST - Expect some service interruptions during this time

elpa_impl.F90 59.7 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
Pavel Kus's avatar
Pavel Kus committed
65
  use iso_fortran_env
66
  implicit none
67

68 69
  private
  public :: elpa_impl_allocate
70

71
!> \brief Definition of the extended elpa_impl_t type
72
  type, extends(elpa_abstract_impl_t) :: elpa_impl_t
Andreas Marek's avatar
Andreas Marek committed
73
   private
74
   integer :: communicators_owned
75

76
   !> \brief methods available with the elpa_impl_t type
77
   contains
78
     !> \brief the puplic methods
79
     ! con-/destructor
80 81
     procedure, public :: setup => elpa_setup                   !< a setup method: implemented in elpa_setup
     procedure, public :: destroy => elpa_destroy               !< a destroy method: implemented in elpa_destroy
82

83
     ! KV store
84 85 86 87
     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
88

89 90 91 92

     ! timer
     procedure, public :: get_time => elpa_get_time
     procedure, public :: print_times => elpa_print_times
93 94
     procedure, public :: timer_start => elpa_timer_start
     procedure, public :: timer_stop => elpa_timer_stop
95 96


97 98 99 100 101 102 103 104 105 106 107 108 109 110
     !> \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
111 112 113 114 115 116
     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

117 118 119 120 121 122
     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

123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143
     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
144

Pavel Kus's avatar
Pavel Kus committed
145
     procedure, private :: elpa_transform_generalized_d
146
     procedure, private :: elpa_transform_back_generalized_d
Pavel Kus's avatar
Pavel Kus committed
147
     procedure, private :: elpa_transform_generalized_dc
148
     procedure, private :: elpa_transform_back_generalized_dc
Pavel Kus's avatar
Pavel Kus committed
149 150
#ifdef WANT_SINGLE_PRECISION_REAL
     procedure, private :: elpa_transform_generalized_f
151
     procedure, private :: elpa_transform_back_generalized_f
Pavel Kus's avatar
Pavel Kus committed
152 153 154
#endif
#ifdef WANT_SINGLE_PRECISION_COMPLEX
     procedure, private :: elpa_transform_generalized_fc
155
     procedure, private :: elpa_transform_back_generalized_fc
Pavel Kus's avatar
Pavel Kus committed
156
#endif
157

158 159
     procedure, public :: print_settings => elpa_print_settings
     procedure, public :: store_settings => elpa_store_settings
Andreas Marek's avatar
Andreas Marek committed
160
     procedure, public :: load_settings => elpa_load_settings
Andreas Marek's avatar
Andreas Marek committed
161
#ifdef ENABLE_AUTOTUNING
162
     procedure, public :: autotune_setup => elpa_autotune_setup
163 164
     procedure, public :: autotune_step => elpa_autotune_step
     procedure, public :: autotune_set_best => elpa_autotune_set_best
165
     procedure, public :: autotune_print_best => elpa_autotune_print_best
Pavel Kus's avatar
Pavel Kus committed
166
     procedure, public :: autotune_print_state => elpa_autotune_print_state
167
     procedure, public :: autotune_save_state => elpa_autotune_save_state
168
     procedure, public :: autotune_load_state => elpa_autotune_load_state
Andreas Marek's avatar
Andreas Marek committed
169
#endif
170
     procedure, private :: construct_scalapack_descriptor => elpa_construct_scalapack_descriptor
171
  end type elpa_impl_t
172 173

  !> \brief the implementation of the generic methods
174
  contains
175 176


177 178 179 180
    !> \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
181 182 183 184 185
    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
186

Andreas Marek's avatar
Andreas Marek committed
187
      ! check whether init has ever been called
188
      if ( elpa_initialized() .ne. ELPA_OK) then
189
        write(error_unit, *) "elpa_allocate(): you must call elpa_init() once before creating instances of ELPA"
190
        if(present(error)) then
191
          error = ELPA_ERROR_API_VERSION
192
        endif
Andreas Marek's avatar
Andreas Marek committed
193 194
        return
      endif
Andreas Marek's avatar
Andreas Marek committed
195

196
      obj%index = elpa_index_instance_c()
197 198

      ! Associate some important integer pointers for convenience
199 200 201 202 203 204 205 206
      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
207 208
      endif
    end function
Andreas Marek's avatar
Andreas Marek committed
209

Andreas Marek's avatar
Andreas Marek committed
210

211 212 213 214 215
    !c> /*! \brief C interface for the implementation of the elpa_allocate method
    !c> *
    !c> *  \param  none
    !c> *  \result elpa_t handle
    !c> */
216
    !c> elpa_t elpa_allocate(int *error);
217
    function elpa_impl_allocate_c(error) result(ptr) bind(C, name="elpa_allocate")
218 219 220 221 222 223 224 225
      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

Andreas Marek's avatar
Andreas Marek committed
226

227 228 229 230 231
    !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> */
232
    !c> void elpa_deallocate(elpa_t handle);
233
    subroutine elpa_impl_deallocate_c(handle) bind(C, name="elpa_deallocate")
234 235 236 237 238 239 240 241
      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
242

Andreas Marek's avatar
Andreas Marek committed
243
#ifdef ENABLE_AUTOTUNING
244 245 246 247 248
    !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> */
249 250 251
    !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
252

253 254 255
      type(elpa_autotune_impl_t), pointer :: self

      call c_f_pointer(autotune_handle, self)
256 257 258
      call self%destroy()
      deallocate(self)
    end subroutine
Andreas Marek's avatar
Andreas Marek committed
259
#endif
260

261 262 263 264
    !> \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
265
    function elpa_setup(self) result(error)
266 267
      class(elpa_impl_t), intent(inout)   :: self
      integer                             :: error, timings
268

269
#ifdef WITH_MPI
270 271 272
      integer                             :: mpi_comm_parent, mpi_comm_rows, mpi_comm_cols, np_rows, np_cols, my_id, &
                                             mpierr, mpierr2, process_row, process_col, mpi_string_length, &
                                             present_np_rows, present_np_cols, is_process_id_zero, np_total, legacy_api
273
      character(len=MPI_MAX_ERROR_STRING) :: mpierr_string
274 275 276
      character(*), parameter             :: MPI_CONSISTENCY_MSG = &
        "Provide mpi_comm_parent and EITHER process_row and process_col OR mpi_comm_rows and mpi_comm_cols. Aborting..."

277
#endif
278

279
#ifdef HAVE_DETAILED_TIMINGS
Andreas Marek's avatar
Andreas Marek committed
280
      call self%get("timings",timings, error)
281
      if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
282 283 284 285 286 287
      if (timings == 1) then
        call self%timer%enable()
      endif
#endif

      error = ELPA_OK
288

289 290 291 292 293 294 295 296
      ! In most cases, we actually need the parent communicator to be supplied,
      ! ELPA internally requires it when either GPU is enabled or when ELPA2 is
      ! used. It thus seems reasonable that we should ALLWAYS require it. It
      ! should then be accompanied by EITHER process_row and process_col
      ! indices, OR mpi_comm_rows and mpi_comm_cols communicators, but NOT both.
      ! This assumption will significanlty simplify the logic, avoid possible
      ! inconsistencies and is rather natural from the user point of view

297
#ifdef WITH_MPI
298 299
      if(self%is_set("legacy_api") == 1) then
        call self%get("legacy_api", legacy_api, error)
300
        if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
301
      endif
302

303
      if (self%is_set("mpi_comm_parent") == 1) then
Andreas Marek's avatar
Andreas Marek committed
304
        call self%get("mpi_comm_parent", mpi_comm_parent, error)
305
        if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
306 307 308

        call mpi_comm_rank(mpi_comm_parent, my_id, mpierr)
        call self%set("process_id", my_id, error)
309
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
310 311 312

        call mpi_comm_size(mpi_comm_parent, np_total, mpierr)
        call self%set("num_processes", np_total, error)
313
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
314 315 316 317 318

        is_process_id_zero = 0
        if(my_id == 0) &
          is_process_id_zero = 1
        call self%set("is_process_id_zero", is_process_id_zero, error)
319
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337

      else
        if(legacy_api .ne. 1) then
          write(error_unit,*) MPI_CONSISTENCY_MSG
          error = ELPA_ERROR
          return
        endif
      endif

      ! Create communicators ourselves
      if (self%is_set("process_row") == 1 .and. self%is_set("process_col") == 1) then

        if(self%is_set("mpi_comm_rows") == 1 .or. self%is_set("mpi_comm_cols") == 1) then
          write(error_unit,*) MPI_CONSISTENCY_MSG
          error = ELPA_ERROR
          return
        endif

Andreas Marek's avatar
Andreas Marek committed
338
        call self%get("process_row", process_row, error)
339
        if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
340

Andreas Marek's avatar
Andreas Marek committed
341
        call self%get("process_col", process_col, error)
342
        if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361

        ! 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)
        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
362

Andreas Marek's avatar
Andreas Marek committed
363
        call self%set("mpi_comm_rows", mpi_comm_rows,error)
364
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
365

366
        call self%set("mpi_comm_cols", mpi_comm_cols,error)
367
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
368

369 370 371
        ! remember that we created those communicators and we need to free them later
        self%communicators_owned = 1

372
      ! Externally supplied communicators
373 374 375 376 377 378
      else if ( self%is_set("mpi_comm_rows") == 1 .and.  self%is_set("mpi_comm_cols") == 1) then

        if(self%is_set("process_row") == 1 .or. self%is_set("process_col") == 1) then
          write(error_unit,*) MPI_CONSISTENCY_MSG
          error = ELPA_ERROR
          return
379
        endif
380 381

        call self%get("mpi_comm_rows", mpi_comm_rows,error)
382
        if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
383

384
        call self%get("mpi_comm_cols", mpi_comm_cols,error)
385
        if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
386 387 388

        call mpi_comm_rank(mpi_comm_rows, process_row, mpierr)
        call self%set("process_row", process_row, error)
389
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
390

391 392
        call mpi_comm_rank(mpi_comm_cols, process_col, mpierr)
        call self%set("process_col", process_col, error)
393
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
394 395

        ! remember that we DID NOT created those communicators and we WILL NOT free them later
396
        self%communicators_owned = 0
397 398 399 400 401 402
      else
        ! Otherwise parameters are missing
        write(error_unit,*) MPI_CONSISTENCY_MSG
        error = ELPA_ERROR
        return
      endif
403

404 405 406 407 408 409
      ! set num_process_rows (and cols), if they are not supplied. Check them
      ! for consistency if they are. Maybe we could instead require, that they
      ! are never supplied?
      call mpi_comm_size(mpi_comm_rows, np_rows, mpierr)
      if(self%is_set("num_process_rows") == 1) then
        call self%get("num_process_rows", present_np_rows, error)
410
        if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
411 412 413

        if(np_rows .ne. present_np_rows) then
          print *,"MPI row communicator not set correctly. Aborting..."
414 415
          stop
        endif
416 417
      else
        call self%set("num_process_rows", np_rows, error)
418
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
419 420 421 422 423
      endif

      call mpi_comm_size(mpi_comm_cols, np_cols, mpierr)
      if(self%is_set("num_process_cols") == 1) then
        call self%get("num_process_cols", present_np_cols, error)
424
        if(check_elpa_get(error, ELPA_ERROR_SETUP)) return
425 426 427

        if(np_cols .ne. present_np_cols) then
          print *,"MPI column communicator not set correctly. Aborting..."
428 429
          stop
        endif
430 431
      else
        call self%set("num_process_cols", np_cols, error)
432
        if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
433
      endif
434

435 436 437 438 439
      if(legacy_api .ne. 1) then
        if(np_total .ne. np_rows * np_cols) then
          print *,"MPI parent communicator and row/col communicators do not match. Aborting..."
          stop
        endif
440
      endif
441

442
#else
443
      call self%set("process_row", 0, error)
444
      if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
445
      call self%set("process_col", 0, error)
446
      if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
447
      call self%set("process_id", 0, error)
448
      if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
449
      call self%set("is_process_id_zero", 1, error)
450
      if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
451
      call self%set("num_process_rows", 1, error)
452
      if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
453
      call self%set("num_process_cols", 1, error)
454
      if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
455
      call self%set("num_processes", 1, error)
456
      if(check_elpa_set(error, ELPA_ERROR_SETUP)) return
457
#endif
458

459
    end function
460

Andreas Marek's avatar
Andreas Marek committed
461

462 463 464 465 466 467
    !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> */
468
    !c> int elpa_setup(elpa_t handle);
469
    function elpa_setup_c(handle) result(error) bind(C, name="elpa_setup")
470 471 472 473 474 475 476 477
      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

478
    function elpa_construct_scalapack_descriptor(self, sc_desc, rectangular_for_ev) result(error)
479
      class(elpa_impl_t), intent(inout)   :: self
480
      logical, intent(in)                 :: rectangular_for_ev
481 482 483 484 485 486 487 488 489
      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)
490
      if(check_elpa_get(error, ELPA_ERROR)) return
491 492 493 494

      sc_desc(1) = 1
      sc_desc(2) = blacs_ctx
      sc_desc(3) = self%na
495 496 497 498 499
      if(rectangular_for_ev) then
        sc_desc(4) = self%nev
      else
        sc_desc(4) = self%na
      endif
500 501 502 503 504 505 506 507 508 509
      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
510

Andreas Marek's avatar
Andreas Marek committed
511

512 513 514 515 516 517 518 519 520
    !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> */
521
    !c> void elpa_set_integer(elpa_t handle, const char *name, int value, int *error);
522
    subroutine elpa_set_integer_c(handle, name_p, value, error) bind(C, name="elpa_set_integer")
Andreas Marek's avatar
Andreas Marek committed
523 524 525
      type(c_ptr), intent(in), value                :: handle
      type(elpa_impl_t), pointer                    :: self
      type(c_ptr), intent(in), value                :: name_p
526
      character(len=elpa_strlen_c(name_p)), pointer :: name
Andreas Marek's avatar
Andreas Marek committed
527 528
      integer(kind=c_int), intent(in), value        :: value
      integer(kind=c_int) , intent(in)              :: error
529 530 531 532 533 534 535

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


536 537 538 539 540 541 542 543 544
    !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> */
545 546
    !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
547 548 549
      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
550
      character(len=elpa_strlen_c(name_p)), pointer :: name
Andreas Marek's avatar
Andreas Marek committed
551 552
      integer(kind=c_int)                           :: value
      integer(kind=c_int), intent(inout)            :: error
553
 
Andreas Marek's avatar
Andreas Marek committed
554 555
      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
556 557
      call elpa_get_integer(self, name, value, error)
    end subroutine
Andreas Marek's avatar
Andreas Marek committed
558 559


560 561 562 563 564
    !> \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
565 566
    function elpa_is_set(self, name) result(state)
      class(elpa_impl_t)       :: self
567
      character(*), intent(in) :: name
568
      integer                  :: state
569

570
      state = elpa_index_value_is_set_c(self%index, name // c_null_char)
571 572
    end function

573 574 575 576 577 578
    !> \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
579 580 581 582 583 584 585 586 587 588
    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


589 590 591 592 593 594
    !> \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   
595
    function elpa_value_to_string(self, option_name, error) result(string)
596 597
      class(elpa_impl_t), intent(in) :: self
      character(kind=c_char, len=*), intent(in) :: option_name
598 599 600 601
      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
602

603 604
      nullify(string)

605
      call self%get(option_name, val, actual_error)
606
      if(check_elpa_get(error, ELPA_ERROR)) return
607 608 609 610 611
      if (actual_error /= ELPA_OK) then
        if (present(error)) then
          error = actual_error
        endif
        return
612 613
      endif

614 615 616 617
      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
618

619 620 621 622
      if (present(error)) then
        error = actual_error
      endif
    end function
623

Andreas Marek's avatar
Andreas Marek committed
624

625 626 627 628 629 630 631 632 633
    !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> */
634
    !c> void elpa_set_double(elpa_t handle, const char *name, double value, int *error);
635
    subroutine elpa_set_double_c(handle, name_p, value, error) bind(C, name="elpa_set_double")
Andreas Marek's avatar
Andreas Marek committed
636 637 638
      type(c_ptr), intent(in), value                :: handle
      type(elpa_impl_t), pointer                    :: self
      type(c_ptr), intent(in), value                :: name_p
639
      character(len=elpa_strlen_c(name_p)), pointer :: name
Andreas Marek's avatar
Andreas Marek committed
640 641
      real(kind=c_double), intent(in), value        :: value
      integer(kind=c_int), intent(in)               :: error
642

643 644 645 646 647
      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
      call elpa_set_double(self, name, value, error)
    end subroutine

648

649
    !c> /*! \brief C interface for the implementation of the elpa_get_double method
650 651 652 653 654 655 656 657
    !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> */
658 659
    !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
660 661 662
      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
663
      character(len=elpa_strlen_c(name_p)), pointer :: name
Andreas Marek's avatar
Andreas Marek committed
664 665
      real(kind=c_double)                           :: value
      integer(kind=c_int), intent(inout)            :: error
666

Andreas Marek's avatar
Andreas Marek committed
667 668
      call c_f_pointer(handle, self)
      call c_f_pointer(name_p, name)
669 670
      call elpa_get_double(self, name, value, error)
    end subroutine
671
 
Andreas Marek's avatar
Andreas Marek committed
672

673 674 675 676 677
    !> \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
678
    function elpa_associate_int(self, name) result(value)
679
      class(elpa_impl_t)             :: self
680 681
      character(*), intent(in)       :: name
      integer(kind=c_int), pointer   :: value
Andreas Marek's avatar
Andreas Marek committed
682

683 684
      type(c_ptr)                    :: value_p

685
      value_p = elpa_index_get_int_loc_c(self%index, name // c_null_char)
686 687 688
      if (.not. c_associated(value_p)) then
        write(error_unit, '(a,a,a)') "ELPA: Warning, received NULL pointer for entry '", name, "'"
      endif
689 690
      call c_f_pointer(value_p, value)
    end function
Andreas Marek's avatar
Andreas Marek committed
691

692

693 694 695 696 697 698 699
    !> \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
700 701 702 703 704 705
    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

706
#ifdef HAVE_DETAILED_TIMINGS
707
      s = self%timer%get(name1, name2, name3, name4, name5, name6)
708 709 710
#else
      s = -1.0
#endif
711 712 713
    end function


714 715 716 717 718
    !> \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
719
    subroutine elpa_print_times(self, name1, name2, name3, name4)
720
      class(elpa_impl_t), intent(in) :: self
721
      character(len=*), intent(in), optional :: name1, name2, name3, name4
722
#ifdef HAVE_DETAILED_TIMINGS
723
      call self%timer%print(name1, name2, name3, name4)
724
#endif
725 726
    end subroutine

727

728 729 730 731
    !> \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
732 733 734 735 736 737 738 739 740
    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


741 742 743 744
    !> \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
745 746 747 748 749 750 751 752 753
    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


754 755 756
    !> \brief function to destroy an elpa object
    !> Parameters
    !> \param   self            class(elpa_impl_t) the allocated ELPA object
757
    subroutine elpa_destroy(self)
758
#ifdef WITH_MPI
Pavel Kus's avatar
Pavel Kus committed
759 760
      integer :: mpi_comm_rows, mpi_comm_cols, mpierr, mpierr2, error, mpi_string_length
      character(len=MPI_MAX_ERROR_STRING) :: mpierr_string
761
#endif
762
      class(elpa_impl_t) :: self
763 764 765

#ifdef WITH_MPI
      if (self%communicators_owned == 1) then
Andreas Marek's avatar
Andreas Marek committed
766
        call self%get("mpi_comm_rows", mpi_comm_rows,error)
767
        if(check_elpa_get(error, ELPA_ERROR)) return
Andreas Marek's avatar
Andreas Marek committed
768
        call self%get("mpi_comm_cols", mpi_comm_cols,error)
769
        if(check_elpa_get(error, ELPA_ERROR)) return
770

771
        write(error_unit, '(A,2I13)') "FREE comms", mpi_comm_rows, mpi_comm_cols
772
        call mpi_comm_free(mpi_comm_rows, mpierr)
Pavel Kus's avatar
Pavel Kus committed
773 774 775 776 777
        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_free for row communicator: ", trim(mpierr_string)
          return
        endif
778
        call self%set("mpi_comm_cols", -12345,error)
779
        if(check_elpa_set(error, ELPA_ERROR)) return
780
        call mpi_comm_free(mpi_comm_cols, mpierr)
Pavel Kus's avatar
Pavel Kus committed
781 782 783 784 785
        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_free for col communicator: ", trim(mpierr_string)
          return
        endif
786
        call self%set("mpi_comm_rows", -12345,error)
787
        if(check_elpa_set(error, ELPA_ERROR)) return
788 789 790
      endif
#endif

791
      call timer_free(self%timer)
792
      call timer_free(self%autotune_timer)
793 794
      call elpa_index_free_c(self%index)

795
    end subroutine
Andreas Marek's avatar
Andreas Marek committed
796

Pavel Kus's avatar
Pavel Kus committed
797 798
#define REALCASE 1
#define DOUBLE_PRECISION 1
Andreas Marek's avatar
Andreas Marek committed
799
#define INCLUDE_ROUTINES 1
Pavel Kus's avatar
Pavel Kus committed
800
#include "general/precision_macros.h"
Andreas Marek's avatar
Andreas Marek committed
801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840
#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
841 842 843 844 845 846 847
#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
848
#include "elpa_impl_generalized_transform_template.F90"
Pavel Kus's avatar
Pavel Kus committed
849 850
#undef REALCASE
#undef SINGLE_PRECISION
Andreas Marek's avatar
Andreas Marek committed
851
#endif
Pavel Kus's avatar
Pavel Kus committed
852 853

#define COMPLEXCASE 1
Andreas Marek's avatar
Andreas Marek committed
854

Pavel Kus's avatar
Pavel Kus committed
855 856
#define DOUBLE_PRECISION 1
#include "general/precision_macros.h"
Andreas Marek's avatar
Andreas Marek committed
857
#include "elpa_impl_generalized_transform_template.F90"
Pavel Kus's avatar
Pavel Kus committed
858 859 860 861 862 863 864
#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
865
#include "elpa_impl_generalized_transform_template.F90"
Pavel Kus's avatar
Pavel Kus committed
866 867
#undef COMPLEXCASE
#undef SINGLE_PRECISION
Andreas Marek's avatar
Andreas Marek committed
868 869
#endif

Andreas Marek's avatar
Andreas Marek committed
870

871 872 873 874 875 876
!    function use_cannons_algorithm(self) result(use_cannon, do_print)
!      class(elpa_impl_t), intent(inout), target :: self
!      logical                                   :: use_cannon
!      logical, intent(in)                       :: do_print
!    end function
!
Andreas Marek's avatar
Andreas Marek committed
877
#ifdef ENABLE_AUTOTUNING
878 879
    !> \brief function to setup the ELPA autotuning and create the autotune object
    !> Parameters
880
    !> \param   self            the allocated ELPA object
881 882
    !> \param   level           integer: the "thoroughness" of the planed autotuning
    !> \param   domain          integer: the domain (real/complex) which should be tuned
883
    !> \result  tune_state      the created autotuning object
884
    function elpa_autotune_setup(self, level, domain, error) result(tune_state)
885
      class(elpa_impl_t), intent(inout), target :: self
Andreas Marek's avatar
Andreas Marek committed
886 887 888
      integer, intent(in)                       :: level, domain
      type(elpa_autotune_impl_t), pointer       :: ts_impl
      class(elpa_autotune_t), pointer           :: tune_state
889 890 891 892 893
#ifdef USE_FORTRAN2008
      integer(kind=c_int), optional             :: error
#else
      integer(kind=c_int)                       :: error
#endif
894

895 896 897 898 899 900 901
#ifdef USE_FORTRAN2008
      if (present(error)) then
        error = ELPA_OK
      endif
#else
      error = ELPA_OK
#endif
Andreas Marek's avatar
Andreas Marek committed
902
      if (elpa_get_api_version() < EARLIEST_AUTOTUNE_VERSION) then
903 904 905
        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
906
          error = ELPA_ERROR_AUTOTUNE_API_VERSION
907 908
        endif
#else
909
        error = ELPA_ERROR_AUTOTUNE_API_VERSION
910 911
#endif
        return
Andreas Marek's avatar
Andreas Marek committed
912 913
      endif

914 915 916 917 918
      allocate(ts_impl)
      ts_impl%parent => self
      ts_impl%level = level
      ts_impl%domain = domain

919
      ts_impl%current = -1
920
      ts_impl%min_loc = -1
921
      ts_impl%cardinality = elpa_index_autotune_cardinality_c(self%index, level, domain)
922 923 924 925 926 927 928

      tune_state => ts_impl

      call self%autotune_timer%enable()
    end function


Andreas Marek's avatar
Andreas Marek committed
929

930 931 932 933 934 935 936
    !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> */