elpa1_template_new_interface.X90 9.33 KB
Newer Older
1 2 3 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 48 49 50 51 52 53 54
#if 0
!    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.
!
!
! ELPA1 -- Faster replacements for ScaLAPACK symmetric eigenvalue routines
!
! 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".
#endif

55
#include "../general/sanity.X90"
56 57 58 59 60

function elpa_solve_evp_&
         &MATH_DATATYPE&
	 &_1stage_&
	 &PRECISION&
61 62
	 &_new ( na, nev, a, lda, ev, q, ldq, nblk, matrixCols, mpi_comm_rows, &
	        mpi_comm_cols, mpi_comm_all, useGPU) result(success)
63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103
   use precision
   use cuda_functions
   use mod_check_for_gpu
#ifdef HAVE_DETAILED_TIMINGS
   use timings
#else
   use timings_dummy
#endif
   use iso_c_binding
   use elpa_mpi
   use elpa1_compute
   implicit none

   integer(kind=c_int), intent(in)                 :: na, nev, lda, ldq, nblk, matrixCols, mpi_comm_rows, &
                                                      mpi_comm_cols, mpi_comm_all
   real(kind=REAL_DATATYPE), intent(out)           :: ev(na)
#if REALCASE == 1
#ifdef USE_ASSUMED_SIZE
   real(kind=C_DATATYPE_KIND), intent(inout)       :: a(lda,*)
   real(kind=C_DATATYPE_KIND), intent(out)         :: q(ldq,*)
#else
   real(kind=C_DATATYPE_KIND), intent(inout)       :: a(lda,matrixCols)
   real(kind=C_DATATYPE_KIND), intent(out)         :: q(ldq,matrixCols)
#endif
   real(kind=C_DATATYPE_KIND), allocatable         :: tau(:)
#endif /* REALCASE */

#if COMPLEXCASE == 1
#ifdef USE_ASSUMED_SIZE
   complex(kind=C_DATATYPE_KIND), intent(inout)    :: a(lda,*)
   complex(kind=C_DATATYPE_KIND), intent(out)      :: q(ldq,*)
#else
   complex(kind=C_DATATYPE_KIND), intent(inout)    :: a(lda,matrixCols)
   complex(kind=C_DATATYPE_KIND), intent(out)      :: q(ldq,matrixCols)
#endif

   real(kind=REAL_DATATYPE), allocatable           :: q_real(:,:)
   complex(kind=C_DATATYPE_KIND), allocatable      :: tau(:)
   integer(kind=c_int)                             :: l_cols, l_rows, l_cols_nev, np_rows, np_cols
#endif /* COMPLEXCASE */

104
   logical, intent(in)                             :: useGPU
105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121
   logical                                         :: success

   logical                                         :: do_useGPU
   integer(kind=ik)                                :: numberOfGPUDevices

   integer(kind=c_int)                             :: my_pe, n_pes, my_prow, my_pcol, mpierr
   real(kind=C_DATATYPE_KIND), allocatable         :: e(:)
   real(kind=c_double)                             :: ttt0, ttt1 ! MPI_WTIME always needs double
   logical, save                                   :: firstCall = .true.
   logical                                         :: wantDebug
   integer(kind=c_int)                             :: istat
   character(200)                                  :: errorMessage

   call timer%start("elpa_solve_evp_&
   &MATH_DATATYPE&
   &_1stage_&
   &PRECISION&
122
   &_new")
123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148

   call timer%start("mpi_communication")

   call mpi_comm_rank(mpi_comm_all,my_pe,mpierr)
   call mpi_comm_size(mpi_comm_all,n_pes,mpierr)

   call mpi_comm_rank(mpi_comm_rows,my_prow,mpierr)
   call mpi_comm_rank(mpi_comm_cols,my_pcol,mpierr)

#if COMPLEXCASE == 1
   call mpi_comm_size(mpi_comm_rows,np_rows,mpierr)
   call mpi_comm_size(mpi_comm_cols,np_cols,mpierr)
#endif

   call timer%stop("mpi_communication")
   success = .true.

   wantDebug = .false.
   if (firstCall) then
     ! are debug messages desired?
     wantDebug = debug_messages_via_environment_variable()
     firstCall = .false.
   endif

   do_useGPU      = .false.

149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169

   if (useGPU) then
     if (check_for_gpu(my_pe,numberOfGPUDevices, wantDebug=wantDebug)) then

       do_useGPU = .true.
       ! set the neccessary parameters
       cudaMemcpyHostToDevice   = cuda_memcpyHostToDevice()
       cudaMemcpyDeviceToHost   = cuda_memcpyDeviceToHost()
       cudaMemcpyDeviceToDevice = cuda_memcpyDeviceToDevice()
       cudaHostRegisterPortable = cuda_hostRegisterPortable()
       cudaHostRegisterMapped   = cuda_hostRegisterMapped()
     else
       print *,"GPUs are requested but not detected! Aborting..."
       success = .false.
       return
     endif
   else
     ! check whether set by environment variable
     do_useGPU = gpu_usage_via_environment_variable()

     if (do_useGPU) then
170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281
       if (check_for_gpu(my_pe,numberOfGPUDevices, wantDebug=wantDebug)) then

         ! set the neccessary parameters
         cudaMemcpyHostToDevice   = cuda_memcpyHostToDevice()
         cudaMemcpyDeviceToHost   = cuda_memcpyDeviceToHost()
         cudaMemcpyDeviceToDevice = cuda_memcpyDeviceToDevice()
         cudaHostRegisterPortable = cuda_hostRegisterPortable()
         cudaHostRegisterMapped   = cuda_hostRegisterMapped()
       else
         print *,"GPUs are requested but not detected! Aborting..."
         success = .false.
         return
       endif
     endif
   endif

#if COMPLEXCASE == 1
   l_rows = local_index(na, my_prow, np_rows, nblk, -1) ! Local rows of a and q
   l_cols = local_index(na, my_pcol, np_cols, nblk, -1) ! Local columns of q

   l_cols_nev = local_index(nev, my_pcol, np_cols, nblk, -1) ! Local columns corresponding to nev

   allocate(q_real(l_rows,l_cols), stat=istat, errmsg=errorMessage)
   if (istat .ne. 0) then
     print *,"solve_evp_&
     &MATH_DATATYPE&
     &_1stage_&
     &PRECISION&
     &" // ": error when allocating q_real "//errorMessage
     stop 1
   endif
#endif

   allocate(e(na), tau(na), stat=istat, errmsg=errorMessage)
   if (istat .ne. 0) then
     print *,"solve_evp_&
     &MATH_DATATYPE&
     &_1stage_&
     &PRECISION&
     &" // ": error when allocating e, tau "//errorMessage
     stop 1
   endif

   ttt0 = MPI_Wtime()
   call tridiag_&
   &MATH_DATATYPE&
   &_&
   &PRECISION&
   & (na, a, lda, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, ev, e, tau, do_useGPU)

   ttt1 = MPI_Wtime()
   if(my_prow==0 .and. my_pcol==0 .and. elpa_print_times) write(error_unit,*) 'Time tridiag_real :',ttt1-ttt0
   time_evp_fwd = ttt1-ttt0

   ttt0 = MPI_Wtime()

   call solve_tridi_&
   &PRECISION&
   & (na, nev, ev, e,  &
#if REALCASE == 1
      q, ldq,          &
#endif
#if COMPLEXCASE == 1
      q_real, l_rows,  &
#endif
      nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, wantDebug, success)
   if (.not.(success)) return

   ttt1 = MPI_Wtime()
   if(my_prow==0 .and. my_pcol==0 .and. elpa_print_times) write(error_unit,*) 'Time solve_tridi  :',ttt1-ttt0
   time_evp_solve = ttt1-ttt0

   ttt0 = MPI_Wtime()
#if COMPLEXCASE == 1
   q(1:l_rows,1:l_cols_nev) = q_real(1:l_rows,1:l_cols_nev)
#endif

   call trans_ev_&
   &MATH_DATATYPE&
   &_&
   &PRECISION&
   & (na, nev, a, lda, tau, q, ldq, nblk, matrixCols, mpi_comm_rows, mpi_comm_cols, do_useGPU)
   ttt1 = MPI_Wtime()
   if(my_prow==0 .and. my_pcol==0 .and. elpa_print_times) write(error_unit,*) 'Time trans_ev_real:',ttt1-ttt0
   time_evp_back = ttt1-ttt0

#if COMPLEXCASE == 1
   deallocate(q_real, stat=istat, errmsg=errorMessage)
   if (istat .ne. 0) then
     print *,"solve_evp_&
     &MATH_DATATYPE&
     &_1stage_&
     &PRECISION&
     &" // ": error when deallocating q_real "//errorMessage
     stop 1
   endif
#endif

   deallocate(e, tau, stat=istat, errmsg=errorMessage)
   if (istat .ne. 0) then
     print *,"solve_evp_&
     &MATH_DATATYPE&
     &_1stage_&
     &PRECISION&
     &" // ": error when deallocating e, tau "//errorMessage
     stop 1
   endif

   call timer%stop("elpa_solve_evp_&
   &MATH_DATATYPE&
   &_1stage_&
   &PRECISION&
282
   &_new")
283 284 285 286

end function