LCOV - code coverage report
Current view: top level - src/pw/fft - fftw3_lib.F (source / functions) Coverage Total Hit
Test: CP2K Regtests (git:92574dc) Lines: 40.8 % 355 145
Test Date: 2026-09-24 01:27:39 Functions: 60.0 % 25 15

            Line data    Source code
       1              : !--------------------------------------------------------------------------------------------------!
       2              : !   CP2K: A general program to perform molecular dynamics simulations                              !
       3              : !   Copyright 2000-2026 CP2K developers group <https://cp2k.org>                                   !
       4              : !                                                                                                  !
       5              : !   SPDX-License-Identifier: GPL-2.0-or-later                                                      !
       6              : !--------------------------------------------------------------------------------------------------!
       7              : MODULE fftw3_lib
       8              :    USE ISO_C_BINDING, ONLY: C_ASSOCIATED, &
       9              :                             C_CHAR, &
      10              :                             C_DOUBLE, &
      11              :                             C_DOUBLE_COMPLEX, &
      12              :                             C_INT, &
      13              :                             C_PTR
      14              : #if defined(__FFTW3)
      15              :    USE ISO_C_BINDING, ONLY: &
      16              :       C_FLOAT, &
      17              :       C_FLOAT_COMPLEX, &
      18              :       C_FUNPTR, &
      19              :       C_INT32_T, &
      20              :       C_INTPTR_T, &
      21              :       C_LOC, &
      22              :       C_NULL_CHAR, &
      23              :       C_SIZE_T, C_F_POINTER
      24              :    USE mathconstants, ONLY: z_zero
      25              : #endif
      26              :    USE cp_files, ONLY: get_unit_number
      27              :    USE fft_kinds, ONLY: dp
      28              :    USE fft_plan, ONLY: fft_plan_type
      29              : 
      30              : !$ USE OMP_LIB, ONLY: omp_get_max_threads, omp_get_thread_num, omp_get_num_threads
      31              : 
      32              : #include "../../base/base_uses.f90"
      33              : 
      34              :    IMPLICIT NONE
      35              :    PRIVATE
      36              : 
      37              :    PUBLIC :: fftw3_do_init, fftw3_do_cleanup, fftw3_get_lengths, fftw33d, fftw31dm
      38              :    PUBLIC :: fftw3_destroy_plan, fftw3_create_plan_1d, fftw3_create_plan_3d
      39              :    PUBLIC :: fftw_alloc, fftw_dealloc
      40              : 
      41              :    INTEGER, SAVE :: fftw_plan_type = -1
      42              : 
      43              : #if defined(__FFTW3)
      44              : #include "fftw3.f03"
      45              : #endif
      46              : 
      47              :    INTERFACE fftw_alloc
      48              :       MODULE PROCEDURE :: fftw_alloc_complex_1d
      49              :       MODULE PROCEDURE :: fftw_alloc_complex_2d
      50              :       MODULE PROCEDURE :: fftw_alloc_complex_3d
      51              :    END INTERFACE fftw_alloc
      52              : 
      53              :    INTERFACE fftw_dealloc
      54              :       MODULE PROCEDURE :: fftw_dealloc_complex_1d
      55              :       MODULE PROCEDURE :: fftw_dealloc_complex_2d
      56              :       MODULE PROCEDURE :: fftw_dealloc_complex_3d
      57              :    END INTERFACE fftw_dealloc
      58              : 
      59              : CONTAINS
      60              : 
      61              :    #:set maxdim = 3
      62              :    #:for dim in range(1, maxdim+1)
      63              : ! Concatenate the components of the dimensions passed to this function to use it if FFTW3 is not used
      64              :       #:set dim_extended = ", ".join(["n("+str(i)+")" for i in range(1, dim+1)])
      65       246602 :       SUBROUTINE fftw_alloc_complex_${dim}$d(array, n)
      66              :          COMPLEX(C_DOUBLE_COMPLEX), DIMENSION(:${", :"*(dim-1)}$), CONTIGUOUS, POINTER, INTENT(OUT) :: array
      67              :          INTEGER, DIMENSION(${dim}$), INTENT(IN) :: n
      68              : 
      69              : #if defined(__FFTW3)
      70              :          TYPE(C_PTR) :: data_ptr
      71       734457 :          data_ptr = fftw_alloc_complex(INT(PRODUCT(n), KIND=C_SIZE_T))
      72       734457 :          CALL C_F_POINTER(data_ptr, array, n)
      73              : #else
      74              : ! Just allocate the array
      75              :          ALLOCATE (array(${dim_extended}$))
      76              : #endif
      77              : 
      78       246602 :       END SUBROUTINE fftw_alloc_complex_${dim}$d
      79              : 
      80       246602 :       SUBROUTINE fftw_dealloc_complex_${dim}$d(array)
      81              :          COMPLEX(C_DOUBLE_COMPLEX), DIMENSION(:${", :"*(dim-1)}$), CONTIGUOUS, POINTER, INTENT(INOUT) :: array
      82              : 
      83              : #if defined(__FFTW3)
      84       246602 :          CALL fftw_free(C_LOC(array))
      85       246602 :          NULLIFY (array)
      86              : #else
      87              : ! Just deallocate the array
      88              :          DEALLOCATE (array)
      89              : #endif
      90              : 
      91       246602 :       END SUBROUTINE fftw_dealloc_complex_${dim}$d
      92              :    #:endfor
      93              : 
      94              : #if defined(__FFTW3)
      95              : ! **************************************************************************************************
      96              : !> \brief A workaround that allows us to compile with -Werror=unused-parameter
      97              : ! **************************************************************************************************
      98            0 :    SUBROUTINE dummy_routine_to_call_mark_used()
      99              :       MARK_USED(FFTW_R2HC)
     100              :       MARK_USED(FFTW_HC2R)
     101              :       MARK_USED(FFTW_DHT)
     102              :       MARK_USED(FFTW_REDFT00)
     103              :       MARK_USED(FFTW_REDFT01)
     104              :       MARK_USED(FFTW_REDFT10)
     105              :       MARK_USED(FFTW_REDFT11)
     106              :       MARK_USED(FFTW_RODFT00)
     107              :       MARK_USED(FFTW_RODFT01)
     108              :       MARK_USED(FFTW_RODFT10)
     109              :       MARK_USED(FFTW_RODFT11)
     110              :       MARK_USED(FFTW_FORWARD)
     111              :       MARK_USED(FFTW_BACKWARD)
     112              :       MARK_USED(FFTW_MEASURE)
     113              :       MARK_USED(FFTW_DESTROY_INPUT)
     114              :       MARK_USED(FFTW_UNALIGNED)
     115              :       MARK_USED(FFTW_CONSERVE_MEMORY)
     116              :       MARK_USED(FFTW_EXHAUSTIVE)
     117              :       MARK_USED(FFTW_PRESERVE_INPUT)
     118              :       MARK_USED(FFTW_PATIENT)
     119              :       MARK_USED(FFTW_ESTIMATE)
     120              :       MARK_USED(FFTW_WISDOM_ONLY)
     121              :       MARK_USED(FFTW_ESTIMATE_PATIENT)
     122              :       MARK_USED(FFTW_BELIEVE_PCOST)
     123              :       MARK_USED(FFTW_NO_DFT_R2HC)
     124              :       MARK_USED(FFTW_NO_NONTHREADED)
     125              :       MARK_USED(FFTW_NO_BUFFERING)
     126              :       MARK_USED(FFTW_NO_INDIRECT_OP)
     127              :       MARK_USED(FFTW_ALLOW_LARGE_GENERIC)
     128              :       MARK_USED(FFTW_NO_RANK_SPLITS)
     129              :       MARK_USED(FFTW_NO_VRANK_SPLITS)
     130              :       MARK_USED(FFTW_NO_VRECURSE)
     131              :       MARK_USED(FFTW_NO_SIMD)
     132              :       MARK_USED(FFTW_NO_SLOW)
     133              :       MARK_USED(FFTW_NO_FIXED_RADIX_LARGE_N)
     134              :       MARK_USED(FFTW_ALLOW_PRUNING)
     135            0 :    END SUBROUTINE dummy_routine_to_call_mark_used
     136              : #endif
     137              : 
     138              : ! **************************************************************************************************
     139              : !> \brief ...
     140              : !> \param wisdom_file ...
     141              : !> \param ionode ...
     142              : ! **************************************************************************************************
     143        11379 :    SUBROUTINE fftw3_do_cleanup(wisdom_file, ionode)
     144              : 
     145              :       CHARACTER(LEN=*), INTENT(IN)             :: wisdom_file
     146              :       LOGICAL                                  :: ionode
     147              : 
     148              : #if defined(__FFTW3)
     149        11379 :       CHARACTER(LEN=1, KIND=C_CHAR), DIMENSION(:), ALLOCATABLE :: wisdom_file_name_c
     150              :       INTEGER                                  :: file_name_length, i, iunit, istat
     151              :       INTEGER(KIND=C_INT)                      :: isuccess
     152              :       ! Write out FFTW3 wisdom to file (if we can)
     153              :       ! only the ionode updates the wisdom
     154        11379 :       IF (ionode) THEN
     155         5795 :          iunit = get_unit_number()
     156              :          ! Check whether the file can be opened in the necessary manner
     157         5795 :          OPEN (UNIT=iunit, FILE=wisdom_file, STATUS="UNKNOWN", FORM="FORMATTED", ACTION="WRITE", IOSTAT=istat)
     158         5795 :          IF (istat == 0) THEN
     159            2 :             CLOSE (iunit)
     160            2 :             file_name_length = LEN_TRIM(wisdom_file)
     161            6 :             ALLOCATE (wisdom_file_name_c(file_name_length + 1))
     162           18 :             DO i = 1, file_name_length
     163           18 :                wisdom_file_name_c(i) = wisdom_file(i:i)
     164              :             END DO
     165            2 :             wisdom_file_name_c(file_name_length + 1) = C_NULL_CHAR
     166            2 :             isuccess = fftw_export_wisdom_to_filename(wisdom_file_name_c)
     167            2 :             IF (isuccess == 0) THEN
     168              :                CALL cp_warn(__LOCATION__, "Error exporting wisdom to file "//TRIM(wisdom_file)//". "// &
     169            0 :                             "Wisdom was not exported.")
     170              :             END IF
     171              :          END IF
     172              :       END IF
     173              : 
     174        11379 :       CALL fftw_cleanup()
     175              : #else
     176              :       MARK_USED(wisdom_file)
     177              :       MARK_USED(ionode)
     178              : #endif
     179              : 
     180        11379 :    END SUBROUTINE fftw3_do_cleanup
     181              : 
     182              : ! **************************************************************************************************
     183              : !> \brief ...
     184              : !> \param wisdom_file ...
     185              : ! **************************************************************************************************
     186        11589 :    SUBROUTINE fftw3_do_init(wisdom_file, plan_style)
     187              : 
     188              :       CHARACTER(LEN=*), INTENT(IN)             :: wisdom_file
     189              :       INTEGER, INTENT(IN)                      :: plan_style
     190              : 
     191              : #if defined(__FFTW3)
     192        11589 :       CHARACTER(LEN=1, KIND=C_CHAR), DIMENSION(:), ALLOCATABLE :: wisdom_file_name_c
     193              :       INTEGER                                  :: file_name_length, i, istat, iunit
     194              :       INTEGER(KIND=C_INT)                      :: isuccess
     195              :       LOGICAL :: file_exists
     196              : 
     197        11589 :       isuccess = fftw_init_threads()
     198        11589 :       IF (isuccess == 0) THEN
     199            0 :          CPABORT("Error initializing FFTW with threads")
     200              :       END IF
     201              : 
     202              :       ! Read FFTW wisdom (if available)
     203              :       ! all nodes are opening the file here...
     204        11589 :       INQUIRE (FILE=wisdom_file, exist=file_exists)
     205        11589 :       IF (file_exists) THEN
     206            2 :          iunit = get_unit_number()
     207            2 :          file_name_length = LEN_TRIM(wisdom_file)
     208              :          ! Check whether the file can be opened in the necessary manner
     209              :          OPEN (UNIT=iunit, FILE=wisdom_file, STATUS="OLD", FORM="FORMATTED", POSITION="REWIND", &
     210            2 :                ACTION="READ", IOSTAT=istat)
     211            2 :          IF (istat == 0) THEN
     212            2 :             CLOSE (iunit)
     213            2 :             file_name_length = LEN_TRIM(wisdom_file)
     214            6 :             ALLOCATE (wisdom_file_name_c(file_name_length + 1))
     215           18 :             DO i = 1, file_name_length
     216           18 :                wisdom_file_name_c(i) = wisdom_file(i:i)
     217              :             END DO
     218            2 :             wisdom_file_name_c(file_name_length + 1) = C_NULL_CHAR
     219            2 :             isuccess = fftw_import_wisdom_from_filename(wisdom_file_name_c)
     220            2 :             IF (isuccess == 0) THEN
     221              :                CALL cp_warn(__LOCATION__, "Error importing wisdom from file "//TRIM(wisdom_file)//". "// &
     222              :                             "Maybe the file was created with a different configuration than CP2K is run with. "// &
     223            2 :                             "CP2K continues without importing wisdom.")
     224              :             END IF
     225              :          END IF
     226              :       END IF
     227              : 
     228        23164 :       SELECT CASE (plan_style)
     229              :       CASE (1)
     230        11575 :          fftw_plan_type = FFTW_ESTIMATE
     231              :       CASE (2)
     232            4 :          fftw_plan_type = FFTW_MEASURE
     233              :       CASE (3)
     234            6 :          fftw_plan_type = FFTW_PATIENT
     235              :       CASE (4)
     236            4 :          fftw_plan_type = FFTW_EXHAUSTIVE
     237              :       CASE DEFAULT
     238        11589 :          CPABORT("Invalid FFTW_PLAN_TYPE")
     239              :       END SELECT
     240              : #else
     241              :       MARK_USED(wisdom_file)
     242              :       MARK_USED(plan_style)
     243              : #endif
     244              : 
     245        11589 :    END SUBROUTINE fftw3_do_init
     246              : 
     247              : ! **************************************************************************************************
     248              : !> \brief ...
     249              : !> \param DATA ...
     250              : !> \param max_length ...
     251              : !> \par History
     252              : !>      JGH 23-Jan-2006 : initial version
     253              : !>      Adapted for new interface
     254              : !>      IAB 09-Jan-2009 : Modified to cache plans in fft_plan_type
     255              : !>                        (c) The Numerical Algorithms Group (NAG) Ltd, 2009 on behalf of the HECToR project
     256              : !>      IAB 09-Oct-2009 : Added OpenMP directives to 1D FFT, and planning routines
     257              : !>                        (c) The Numerical Algorithms Group (NAG) Ltd, 2009 on behalf of the HECToR project
     258              : !>      IAB 11-Sep-2012 : OpenMP parallel 3D FFT (Ruyman Reyes, PRACE)
     259              : !> \author JGH
     260              : ! **************************************************************************************************
     261            0 :    SUBROUTINE fftw3_get_lengths(DATA, max_length)
     262              : 
     263              :       INTEGER, DIMENSION(*)                              :: DATA
     264              :       INTEGER, INTENT(INOUT)                             :: max_length
     265              : 
     266              :       INTEGER                                            :: h, i, j, k, m, maxn, maxn_elevens, &
     267              :                                                             maxn_fives, maxn_sevens, &
     268              :                                                             maxn_thirteens, maxn_threes, &
     269              :                                                             maxn_twos, ndata, nmax, number
     270            0 :       INTEGER, ALLOCATABLE, DIMENSION(:)                 :: dlocal, idx
     271              : 
     272              : !------------------------------------------------------------------------------
     273              : ! compute ndata
     274              : !! FFTW can do arbitrary(?) lengths, maybe you want to limit them to some
     275              : !!    powers of small prime numbers though...
     276              : 
     277            0 :       maxn_twos = 15
     278            0 :       maxn_threes = 3
     279            0 :       maxn_fives = 2
     280            0 :       maxn_sevens = 1
     281            0 :       maxn_elevens = 1
     282            0 :       maxn_thirteens = 0
     283            0 :       maxn = 37748736
     284              : 
     285            0 :       ndata = 0
     286            0 :       DO h = 0, maxn_twos
     287            0 :          nmax = HUGE(0)/2**h
     288            0 :          DO i = 0, maxn_threes
     289            0 :             DO j = 0, maxn_fives
     290            0 :                DO k = 0, maxn_sevens
     291            0 :                   DO m = 0, maxn_elevens
     292            0 :                      number = (3**i)*(5**j)*(7**k)*(11**m)
     293              : 
     294            0 :                      IF (number > nmax) CYCLE
     295              : 
     296            0 :                      number = number*2**h
     297            0 :                      IF (number >= maxn) CYCLE
     298              : 
     299            0 :                      ndata = ndata + 1
     300              :                   END DO
     301              :                END DO
     302              :             END DO
     303              :          END DO
     304              :       END DO
     305              : 
     306            0 :       ALLOCATE (dlocal(ndata), idx(ndata))
     307              : 
     308            0 :       ndata = 0
     309            0 :       dlocal(:) = 0
     310            0 :       DO h = 0, maxn_twos
     311            0 :          nmax = HUGE(0)/2**h
     312            0 :          DO i = 0, maxn_threes
     313            0 :             DO j = 0, maxn_fives
     314            0 :                DO k = 0, maxn_sevens
     315            0 :                   DO m = 0, maxn_elevens
     316            0 :                      number = (3**i)*(5**j)*(7**k)*(11**m)
     317              : 
     318            0 :                      IF (number > nmax) CYCLE
     319              : 
     320            0 :                      number = number*2**h
     321            0 :                      IF (number >= maxn) CYCLE
     322              : 
     323            0 :                      ndata = ndata + 1
     324            0 :                      dlocal(ndata) = number
     325              :                   END DO
     326              :                END DO
     327              :             END DO
     328              :          END DO
     329              :       END DO
     330              : 
     331            0 :       CALL sortint(dlocal, ndata, idx)
     332            0 :       ndata = MIN(ndata, max_length)
     333            0 :       DATA(1:ndata) = dlocal(1:ndata)
     334            0 :       max_length = ndata
     335              : 
     336            0 :       DEALLOCATE (dlocal, idx)
     337              : 
     338            0 :    END SUBROUTINE fftw3_get_lengths
     339              : 
     340              : ! **************************************************************************************************
     341              : !> \brief ...
     342              : !> \param iarr ...
     343              : !> \param n ...
     344              : !> \param index ...
     345              : ! **************************************************************************************************
     346            0 :    SUBROUTINE sortint(iarr, n, index)
     347              : 
     348              :       INTEGER, INTENT(IN)                                :: n
     349              :       INTEGER, INTENT(INOUT)                             :: iarr(1:n)
     350              :       INTEGER, INTENT(OUT)                               :: INDEX(1:n)
     351              : 
     352              :       INTEGER, PARAMETER                                 :: m = 7, nstack = 50
     353              : 
     354              :       INTEGER                                            :: a, i, ib, ir, istack(1:nstack), itemp, &
     355              :                                                             j, jstack, k, l, temp
     356              : 
     357              : !------------------------------------------------------------------------------
     358              : 
     359            0 :       DO i = 1, n
     360            0 :          INDEX(i) = i
     361              :       END DO
     362              :       jstack = 0
     363              :       l = 1
     364              :       ir = n
     365              :       DO WHILE (.TRUE.)
     366            0 :       IF (ir - l < m) THEN
     367            0 :          DO j = l + 1, ir
     368            0 :             a = iarr(j)
     369            0 :             ib = INDEX(j)
     370            0 :             DO i = j - 1, 0, -1
     371            0 :                IF (i == 0) EXIT
     372            0 :                IF (iarr(i) <= a) EXIT
     373            0 :                iarr(i + 1) = iarr(i)
     374            0 :                INDEX(i + 1) = INDEX(i)
     375              :             END DO
     376            0 :             iarr(i + 1) = a
     377            0 :             INDEX(i + 1) = ib
     378              :          END DO
     379            0 :          IF (jstack == 0) RETURN
     380            0 :          ir = istack(jstack)
     381            0 :          l = istack(jstack - 1)
     382            0 :          jstack = jstack - 2
     383              :       ELSE
     384            0 :          k = (l + ir)/2
     385            0 :          temp = iarr(k)
     386            0 :          iarr(k) = iarr(l + 1)
     387            0 :          iarr(l + 1) = temp
     388            0 :          itemp = INDEX(k)
     389            0 :          INDEX(k) = INDEX(l + 1)
     390            0 :          INDEX(l + 1) = itemp
     391            0 :          IF (iarr(l + 1) > iarr(ir)) THEN
     392            0 :             temp = iarr(l + 1)
     393            0 :             iarr(l + 1) = iarr(ir)
     394            0 :             iarr(ir) = temp
     395            0 :             itemp = INDEX(l + 1)
     396            0 :             INDEX(l + 1) = INDEX(ir)
     397            0 :             INDEX(ir) = itemp
     398              :          END IF
     399            0 :          IF (iarr(l) > iarr(ir)) THEN
     400            0 :             temp = iarr(l)
     401            0 :             iarr(l) = iarr(ir)
     402            0 :             iarr(ir) = temp
     403            0 :             itemp = INDEX(l)
     404            0 :             INDEX(l) = INDEX(ir)
     405            0 :             INDEX(ir) = itemp
     406              :          END IF
     407            0 :          IF (iarr(l + 1) > iarr(l)) THEN
     408            0 :             temp = iarr(l + 1)
     409            0 :             iarr(l + 1) = iarr(l)
     410            0 :             iarr(l) = temp
     411            0 :             itemp = INDEX(l + 1)
     412            0 :             INDEX(l + 1) = INDEX(l)
     413            0 :             INDEX(l) = itemp
     414              :          END IF
     415            0 :          i = l + 1
     416            0 :          j = ir
     417            0 :          a = iarr(l)
     418            0 :          ib = INDEX(l)
     419            0 :          DO WHILE (.TRUE.)
     420            0 :             i = i + 1
     421            0 :             DO WHILE (iarr(i) < a)
     422            0 :                i = i + 1
     423              :             END DO
     424            0 :             j = j - 1
     425            0 :             DO WHILE (iarr(j) > a)
     426            0 :                j = j - 1
     427              :             END DO
     428            0 :             IF (j < i) EXIT
     429            0 :             temp = iarr(i)
     430            0 :             iarr(i) = iarr(j)
     431            0 :             iarr(j) = temp
     432            0 :             itemp = INDEX(i)
     433            0 :             INDEX(i) = INDEX(j)
     434            0 :             INDEX(j) = itemp
     435              :          END DO
     436            0 :          iarr(l) = iarr(j)
     437            0 :          iarr(j) = a
     438            0 :          INDEX(l) = INDEX(j)
     439            0 :          INDEX(j) = ib
     440            0 :          jstack = jstack + 2
     441            0 :          IF (jstack > nstack) CPABORT("Nstack too small in sortint")
     442            0 :          IF (ir - i + 1 >= j - l) THEN
     443            0 :             istack(jstack) = ir
     444            0 :             istack(jstack - 1) = i
     445            0 :             ir = j - 1
     446              :          ELSE
     447            0 :             istack(jstack) = j - 1
     448            0 :             istack(jstack - 1) = l
     449            0 :             l = i
     450              :          END IF
     451              :       END IF
     452              : 
     453              :       END DO
     454              : 
     455              :    END SUBROUTINE sortint
     456              : 
     457              : ! **************************************************************************************************
     458              : 
     459              : ! **************************************************************************************************
     460              : !> \brief ...
     461              : !> \param plan ...
     462              : !> \param fft_rank ...
     463              : !> \param dim_n ...
     464              : !> \param dim_istride ...
     465              : !> \param dim_ostride ...
     466              : !> \param hm_rank ...
     467              : !> \param hm_n ...
     468              : !> \param hm_istride ...
     469              : !> \param hm_ostride ...
     470              : !> \param zin ...
     471              : !> \param zout ...
     472              : !> \param fft_direction ...
     473              : !> \param fftw_plan_type ...
     474              : !> \param valid ...
     475              : ! **************************************************************************************************
     476        63332 :    SUBROUTINE fftw3_create_guru_plan(plan, fft_rank, dim_n, &
     477              :                                      dim_istride, dim_ostride, hm_rank, &
     478              :                                      hm_n, hm_istride, hm_ostride, &
     479              :                                      zin, zout, fft_direction, fftw_plan_type, &
     480              :                                      valid)
     481              : 
     482              :       TYPE(C_PTR), INTENT(INOUT)                         :: plan
     483              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT)      :: zin, zout
     484              :       INTEGER, INTENT(IN) :: dim_n(2), dim_istride(2), dim_ostride(2), &
     485              :                              hm_n(2), hm_istride(2), hm_ostride(2), fft_rank, &
     486              :                              fft_direction, fftw_plan_type, hm_rank
     487              :       LOGICAL, INTENT(OUT)                               :: valid
     488              : 
     489              : #if defined(__FFTW3)
     490              :       TYPE(fftw_iodim) :: dim(2), hm(2)
     491              :       INTEGER :: i
     492              : 
     493       189996 :       DO i = 1, 2
     494       126664 :          DIM(i) = fftw_iodim(dim_n(i), dim_istride(i), dim_ostride(i))
     495       189996 :          hm(i) = fftw_iodim(hm_n(i), hm_istride(i), hm_ostride(i))
     496              :       END DO
     497              : 
     498              :       plan = fftw_plan_guru_dft(fft_rank, &
     499              :                                 dim, hm_rank, hm, &
     500              :                                 zin, zout, &
     501        63332 :                                 fft_direction, fftw_plan_type)
     502              : 
     503        63332 :       valid = C_ASSOCIATED(plan)
     504              : 
     505              : #else
     506              :       MARK_USED(plan)
     507              :       MARK_USED(fft_rank)
     508              :       MARK_USED(dim_n)
     509              :       MARK_USED(dim_istride)
     510              :       MARK_USED(dim_ostride)
     511              :       MARK_USED(hm_rank)
     512              :       MARK_USED(hm_n)
     513              :       MARK_USED(hm_istride)
     514              :       MARK_USED(hm_ostride)
     515              :       MARK_USED(fft_direction)
     516              :       MARK_USED(fftw_plan_type)
     517              :       !MARK_USED does not work with assumed size arguments
     518              :       IF (.FALSE.) THEN; DO; IF (ABS(zin(1)) > ABS(zout(1))) EXIT; END DO; END IF
     519              :       valid = .FALSE.
     520              : 
     521              : #endif
     522              : 
     523        63332 :    END SUBROUTINE fftw3_create_guru_plan
     524              : 
     525              : ! **************************************************************************************************
     526              : 
     527              : ! **************************************************************************************************
     528              : !> \brief Attempt to create a plan with the guru interface for a 2d sub-space.
     529              : !>        If this fails, fall back to the FFTW3 threaded 3D transform instead
     530              : !>        of the hand-optimised version.
     531              : !> \return ...
     532              : ! **************************************************************************************************
     533        63332 :    FUNCTION fftw3_is_guru_supported() RESULT(guru_supported)
     534              :       LOGICAL :: guru_supported
     535              : #if defined(__FFTW3)
     536              :       INTEGER :: dim_n(2), dim_istride(2), dim_ostride(2), &
     537              :                  howmany_n(2), howmany_istride(2), howmany_ostride(2)
     538              :       TYPE(C_PTR)                          :: test_plan
     539              :       COMPLEX(KIND=dp), DIMENSION(1, 1, 1) :: zin
     540              : 
     541        63332 :       dim_n(1) = 1
     542        63332 :       dim_n(2) = 1
     543        63332 :       dim_istride(1) = 1
     544        63332 :       dim_istride(2) = 1
     545        63332 :       dim_ostride(1) = 1
     546        63332 :       dim_ostride(2) = 1
     547        63332 :       howmany_n(1) = 1
     548        63332 :       howmany_n(2) = 1
     549        63332 :       howmany_istride(1) = 1
     550        63332 :       howmany_istride(2) = 1
     551        63332 :       howmany_ostride(1) = 1
     552        63332 :       howmany_ostride(2) = 1
     553        63332 :       zin = z_zero
     554              :       CALL fftw3_create_guru_plan(test_plan, 1, &
     555              :                                   dim_n, dim_istride, dim_ostride, &
     556              :                                   2, howmany_n, howmany_istride, howmany_ostride, &
     557              :                                   zin, zin, &
     558        63332 :                                   FFTW_FORWARD, FFTW_ESTIMATE, guru_supported)
     559        63332 :       IF (guru_supported) THEN
     560        63332 :          CALL fftw_destroy_plan(test_plan)
     561              :       END IF
     562              : 
     563              : #else
     564              :       guru_supported = .FALSE.
     565              : #endif
     566              : 
     567        63332 :    END FUNCTION fftw3_is_guru_supported
     568              : 
     569              : ! **************************************************************************************************
     570              : 
     571              : ! **************************************************************************************************
     572              : !> \brief ...
     573              : !> \param nrows ...
     574              : !> \param nt ...
     575              : !> \param rows_per_thread ...
     576              : !> \param rows_per_thread_r ...
     577              : !> \param th_planA ...
     578              : !> \param th_planB ...
     579              : ! **************************************************************************************************
     580            0 :    SUBROUTINE fftw3_compute_rows_per_th(nrows, nt, rows_per_thread, rows_per_thread_r, &
     581              :                                         th_planA, th_planB)
     582              : 
     583              :       INTEGER, INTENT(IN)                                :: nrows, nt
     584              :       INTEGER, INTENT(OUT)                               :: rows_per_thread, rows_per_thread_r, &
     585              :                                                             th_planA, th_planB
     586              : 
     587            0 :       IF (MOD(nrows, nt) == 0) THEN
     588            0 :          rows_per_thread = nrows/nt
     589            0 :          rows_per_thread_r = 0
     590            0 :          th_planA = nt
     591            0 :          th_planB = 0
     592              :       ELSE
     593            0 :          rows_per_thread = nrows/nt + 1
     594            0 :          rows_per_thread_r = nrows/nt
     595            0 :          th_planA = MOD(nrows, nt)
     596            0 :          th_planB = nt - th_planA
     597              :       END IF
     598              : 
     599            0 :    END SUBROUTINE fftw3_compute_rows_per_th
     600              : 
     601              : ! **************************************************************************************************
     602              : 
     603              : ! **************************************************************************************************
     604              : !> \brief ...
     605              : !> \param plan ...
     606              : !> \param plan_r ...
     607              : !> \param dim_n ...
     608              : !> \param dim_istride ...
     609              : !> \param dim_ostride ...
     610              : !> \param hm_n ...
     611              : !> \param hm_istride ...
     612              : !> \param hm_ostride ...
     613              : !> \param input ...
     614              : !> \param output ...
     615              : !> \param fft_direction ...
     616              : !> \param fftw_plan_type ...
     617              : !> \param rows_per_th ...
     618              : !> \param rows_per_th_r ...
     619              : ! **************************************************************************************************
     620            0 :    SUBROUTINE fftw3_create_3d_plans(plan, plan_r, dim_n, dim_istride, dim_ostride, &
     621              :                                     hm_n, hm_istride, hm_ostride, &
     622              :                                     input, output, &
     623              :                                     fft_direction, fftw_plan_type, rows_per_th, &
     624              :                                     rows_per_th_r)
     625              : 
     626              :       TYPE(C_PTR), INTENT(INOUT)                         :: plan, plan_r
     627              :       INTEGER, INTENT(INOUT)                             :: dim_n(2), dim_istride(2), &
     628              :                                                             dim_ostride(2), hm_n(2), &
     629              :                                                             hm_istride(2), hm_ostride(2)
     630              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT)      :: input, output
     631              :       INTEGER, INTENT(INOUT)                             :: fft_direction, fftw_plan_type
     632              :       INTEGER, INTENT(IN)                                :: rows_per_th, rows_per_th_r
     633              : 
     634              :       LOGICAL                                            :: valid
     635              : 
     636              : ! First plans will have an additional row
     637              : 
     638            0 :       hm_n(2) = rows_per_th
     639              :       CALL fftw3_create_guru_plan(plan, 1, &
     640              :                                   dim_n, dim_istride, dim_ostride, &
     641              :                                   2, hm_n, hm_istride, hm_ostride, &
     642              :                                   input, output, &
     643            0 :                                   fft_direction, fftw_plan_type, valid)
     644              : 
     645            0 :       IF (.NOT. valid) THEN
     646            0 :          CPABORT("fftw3_create_plan")
     647              :       END IF
     648              : 
     649              :       !!!! Remainder
     650            0 :       hm_n(2) = rows_per_th_r
     651              :       CALL fftw3_create_guru_plan(plan_r, 1, &
     652              :                                   dim_n, dim_istride, dim_ostride, &
     653              :                                   2, hm_n, hm_istride, hm_ostride, &
     654              :                                   input, output, &
     655            0 :                                   fft_direction, fftw_plan_type, valid)
     656            0 :       IF (.NOT. valid) THEN
     657            0 :          CPABORT("fftw3_create_plan (remaining)")
     658              :       END IF
     659              : 
     660            0 :    END SUBROUTINE fftw3_create_3d_plans
     661              : 
     662              : ! **************************************************************************************************
     663              : 
     664              : ! **************************************************************************************************
     665              : !> \brief ...
     666              : !> \param plan ...
     667              : !> \param zin ...
     668              : !> \param zout ...
     669              : ! **************************************************************************************************
     670        63332 :    SUBROUTINE fftw3_create_plan_3d(plan, zin, zout)
     671              : 
     672              :       TYPE(fft_plan_type), INTENT(INOUT)              :: plan
     673              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT)      :: zin
     674              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT)      :: zout
     675              : #if defined(__FFTW3)
     676              :       INTEGER                                            :: n1, n2, n3
     677              :       INTEGER                                            :: nt
     678              :       INTEGER                                            :: rows_per_th
     679              :       INTEGER                                            :: rows_per_th_r
     680              :       INTEGER                                            :: fft_direction
     681              :       INTEGER                                            :: th_planA, th_planB
     682        63332 :       COMPLEX(KIND=dp), ALLOCATABLE                      :: tmp(:)
     683              : 
     684              :       ! GURU Interface
     685              :       INTEGER :: dim_n(2), dim_istride(2), dim_ostride(2), &
     686              :                  howmany_n(2), howmany_istride(2), howmany_ostride(2)
     687              : 
     688        63332 :       IF (plan%fsign == +1) THEN
     689        31666 :          fft_direction = FFTW_FORWARD
     690              :       ELSE
     691        31666 :          fft_direction = FFTW_BACKWARD
     692              :       END IF
     693              : 
     694        63332 :       n1 = plan%n_3d(1)
     695        63332 :       n2 = plan%n_3d(2)
     696        63332 :       n3 = plan%n_3d(3)
     697              : 
     698        63332 :       nt = 1
     699        63332 : !$OMP PARALLEL DEFAULT(NONE) SHARED(nt)
     700              : !$OMP MASTER
     701              : !$    nt = omp_get_num_threads()
     702              : !$OMP END MASTER
     703              : !$OMP END PARALLEL
     704              : 
     705              :       IF ((.NOT. fftw3_is_guru_supported()) .OR. &
     706        63332 :           (.NOT. fftw_plan_type == FFTW_ESTIMATE) .OR. &
     707              :           (n1 < 256 .AND. n2 < 256 .AND. n3 < 256 .AND. nt == 1)) THEN
     708              :          ! If the plan type is MEASURE, PATIENT and EXHAUSTIVE or
     709              :          ! the grid size is small (and we are single-threaded) then
     710              :          ! FFTW3 does a better job than handmade optimization
     711              :          ! so plan a single 3D FFT which will execute using all the threads
     712              : 
     713        63332 :          plan%separated_plans = .FALSE.
     714        63332 : !$       CALL fftw_plan_with_nthreads(nt)
     715              : 
     716        63332 :          IF (plan%fft_in_place) THEN
     717        31666 :             plan%fftw_plan = fftw_plan_dft_3d(n3, n2, n1, zin, zin, fft_direction, fftw_plan_type)
     718              :          ELSE
     719        31666 :             plan%fftw_plan = fftw_plan_dft_3d(n3, n2, n1, zin, zout, fft_direction, fftw_plan_type)
     720              :          END IF
     721              :       ELSE
     722            0 :          ALLOCATE (tmp(n1*n2*n3))
     723              :          ! ************************* PLANS WITH TRANSPOSITIONS ****************************
     724              :          !  In the cases described above, we manually thread each stage of the 3D FFT.
     725              :          !
     726              :          !  The following plans replace the 3D FFT call by running 1D FFTW across all
     727              :          !  3 directions of the array.
     728              :          !
     729              :          !  Output of FFTW is transposed to ensure that the next round of FFTW access
     730              :          !  contiguous information.
     731              :          !
     732              :          !  Assuming the input matrix is M(n3,n2,n1), FFTW/Transp are :
     733              :          !  M(n3,n2,n1) -> fftw(x) -> M(n3,n1,n2) -> fftw(y) -> M(n1,n2,n3) -> fftw(z) -> M(n1,n2,n3)
     734              :          !  Notice that last matrix is transposed in the Z axis. A DO-loop in the execute routine
     735              :          !  will perform the final transposition. Performance evaluation showed that using an external
     736              :          !  DO loop to do the final transposition performed better than directly transposing the output.
     737              :          !  However, this might vary depending on the compiler/platform, so a potential tuning spot
     738              :          !  is to perform the final transposition within the fftw library rather than using the external loop
     739              :          !  See comments below in Z-FFT for how to transpose the output to avoid the final DO loop.
     740              :          !
     741              :          !  Doc. for the Guru interface is in http://www.fftw.org/doc/Guru-Interface.html
     742              :          !
     743              :          !  OpenMP : Work is distributed on the Z plane.
     744              :          !           All transpositions are out-of-place to facilitate multi-threading
     745              :          !
     746              :          !!!! Plan for X : M(n3,n2,n1) -> fftw(x) -> M(n3,n1,n2)
     747              :          CALL fftw3_compute_rows_per_th(n3, nt, rows_per_th, rows_per_th_r, &
     748            0 :                                         th_planA, th_planB)
     749              : 
     750            0 :          dim_n(1) = n1
     751            0 :          dim_istride(1) = 1
     752            0 :          dim_ostride(1) = n2
     753            0 :          howmany_n(1) = n2
     754            0 :          howmany_n(2) = rows_per_th
     755            0 :          howmany_istride(1) = n1
     756            0 :          howmany_istride(2) = n1*n2
     757            0 :          howmany_ostride(1) = 1
     758            0 :          howmany_ostride(2) = n1*n2
     759              :          CALL fftw3_create_3d_plans(plan%fftw_plan_nx, plan%fftw_plan_nx_r, &
     760              :                                     dim_n, dim_istride, dim_ostride, howmany_n, &
     761              :                                     howmany_istride, howmany_ostride, &
     762              :                                     zin, tmp, &
     763              :                                     fft_direction, fftw_plan_type, rows_per_th, &
     764            0 :                                     rows_per_th_r)
     765              : 
     766              :          !!!! Plan for Y : M(n3,n1,n2) -> fftw(y) -> M(n1,n2,n3)
     767              :          CALL fftw3_compute_rows_per_th(n3, nt, rows_per_th, rows_per_th_r, &
     768            0 :                                         th_planA, th_planB)
     769            0 :          dim_n(1) = n2
     770              :          dim_istride(1) = 1
     771            0 :          dim_ostride(1) = n3
     772            0 :          howmany_n(1) = n1
     773            0 :          howmany_n(2) = rows_per_th
     774            0 :          howmany_istride(1) = n2
     775              :          howmany_istride(2) = n1*n2
     776              :          !!! transposed Z axis on output
     777            0 :          howmany_ostride(1) = n2*n3
     778            0 :          howmany_ostride(2) = 1
     779              : 
     780              :          CALL fftw3_create_3d_plans(plan%fftw_plan_ny, plan%fftw_plan_ny_r, &
     781              :                                     dim_n, dim_istride, dim_ostride, &
     782              :                                     howmany_n, howmany_istride, howmany_ostride, &
     783              :                                     tmp, zin, &
     784              :                                     fft_direction, fftw_plan_type, rows_per_th, &
     785            0 :                                     rows_per_th_r)
     786              : 
     787              :          !!!! Plan for Z : M(n1,n2,n3) -> fftw(z) -> M(n1,n2,n3)
     788              :          CALL fftw3_compute_rows_per_th(n1, nt, rows_per_th, rows_per_th_r, &
     789            0 :                                         th_planA, th_planB)
     790            0 :          dim_n(1) = n3
     791              :          dim_istride(1) = 1
     792            0 :          dim_ostride(1) = 1          ! To transpose: n2*n1
     793            0 :          howmany_n(1) = n2
     794            0 :          howmany_n(2) = rows_per_th
     795            0 :          howmany_istride(1) = n3
     796            0 :          howmany_istride(2) = n2*n3
     797            0 :          howmany_ostride(1) = n3     ! To transpose: n1
     798            0 :          howmany_ostride(2) = n2*n3  ! To transpose: 1
     799              : 
     800              :          CALL fftw3_create_3d_plans(plan%fftw_plan_nz, plan%fftw_plan_nz_r, &
     801              :                                     dim_n, dim_istride, dim_ostride, &
     802              :                                     howmany_n, howmany_istride, howmany_ostride, &
     803              :                                     zin, tmp, &
     804              :                                     fft_direction, fftw_plan_type, rows_per_th, &
     805            0 :                                     rows_per_th_r)
     806              : 
     807            0 :          plan%separated_plans = .TRUE.
     808              : 
     809            0 :          DEALLOCATE (tmp)
     810              :       END IF
     811              : 
     812              : #else
     813              :       MARK_USED(plan)
     814              :       !MARK_USED does not work with assumed size arguments
     815              :       IF (.FALSE.) THEN; DO; IF (ABS(zin(1)) > ABS(zout(1))) EXIT; END DO; END IF
     816              : #endif
     817              : 
     818        63332 :    END SUBROUTINE fftw3_create_plan_3d
     819              : 
     820              : ! **************************************************************************************************
     821              : 
     822              : ! **************************************************************************************************
     823              : !> \brief ...
     824              : !> \param plan ...
     825              : !> \param plan_r ...
     826              : !> \param split_dim ...
     827              : !> \param nt ...
     828              : !> \param tid ...
     829              : !> \param input ...
     830              : !> \param istride ...
     831              : !> \param output ...
     832              : !> \param ostride ...
     833              : ! **************************************************************************************************
     834            0 :    SUBROUTINE fftw3_workshare_execute_dft(plan, plan_r, split_dim, nt, tid, &
     835              :                                           input, istride, output, ostride)
     836              : 
     837              :       INTEGER, INTENT(IN)                           :: split_dim, nt, tid
     838              :       INTEGER, INTENT(IN)                           :: istride, ostride
     839              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT) :: input, output
     840              :       TYPE(C_PTR)                                   :: plan, plan_r
     841              : #if defined(__FFTW3)
     842              :       INTEGER                                     :: i_off, o_off
     843              :       INTEGER                                     :: th_planA, th_planB
     844              :       INTEGER :: rows_per_thread, rows_per_thread_r
     845              : 
     846              :       CALL fftw3_compute_rows_per_th(split_dim, nt, rows_per_thread, &
     847              :                                      rows_per_thread_r, &
     848            0 :                                      th_planA, th_planB)
     849              : 
     850            0 :       IF (th_planB > 0) THEN
     851            0 :          IF (tid < th_planA) THEN
     852            0 :             i_off = (tid)*(istride*(rows_per_thread)) + 1
     853            0 :             o_off = (tid)*(ostride*(rows_per_thread)) + 1
     854            0 :             IF (rows_per_thread > 0) THEN
     855              :                CALL fftw_execute_dft(plan, input(i_off), &
     856            0 :                                      output(o_off))
     857              :             END IF
     858            0 :          ELSE IF ((tid - th_planA) < th_planB) THEN
     859              : 
     860              :             i_off = (th_planA)*istride*(rows_per_thread) + &
     861            0 :                     (tid - th_planA)*istride*(rows_per_thread_r) + 1
     862              :             o_off = (th_planA)*ostride*(rows_per_thread) + &
     863            0 :                     (tid - th_planA)*ostride*(rows_per_thread_r) + 1
     864              : 
     865              :             CALL fftw_execute_dft(plan_r, input(i_off), &
     866            0 :                                   output(o_off))
     867              :          END IF
     868              : 
     869              :       ELSE
     870            0 :          i_off = (tid)*(istride*(rows_per_thread)) + 1
     871            0 :          o_off = (tid)*(ostride*(rows_per_thread)) + 1
     872              : 
     873              :          CALL fftw_execute_dft(plan, input(i_off), &
     874            0 :                                output(o_off))
     875              : 
     876              :       END IF
     877              : #else
     878              :       MARK_USED(plan)
     879              :       MARK_USED(plan_r)
     880              :       MARK_USED(split_dim)
     881              :       MARK_USED(nt)
     882              :       MARK_USED(tid)
     883              :       MARK_USED(istride)
     884              :       MARK_USED(ostride)
     885              :       !MARK_USED does not work with assumed size arguments
     886              :       IF (.FALSE.) THEN; DO; IF (ABS(input(1)) > ABS(output(1))) EXIT; END DO; END IF
     887              : #endif
     888              : 
     889            0 :    END SUBROUTINE fftw3_workshare_execute_dft
     890              : 
     891              : ! **************************************************************************************************
     892              : 
     893              : ! **************************************************************************************************
     894              : !> \brief ...
     895              : !> \param plan ...
     896              : !> \param scale ...
     897              : !> \param zin ...
     898              : !> \param zout ...
     899              : !> \param stat ...
     900              : ! **************************************************************************************************
     901       675137 :    SUBROUTINE fftw33d(plan, scale, zin, zout, stat)
     902              : 
     903              :       TYPE(fft_plan_type), INTENT(IN)                      :: plan
     904              :       REAL(KIND=dp), INTENT(IN)                            :: scale
     905              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT), TARGET:: zin
     906              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT), TARGET:: zout
     907              :       INTEGER, INTENT(OUT)                                 :: stat
     908              : #if defined(__FFTW3)
     909       675137 :       COMPLEX(KIND=dp), POINTER                            :: xout(:)
     910       675137 :       COMPLEX(KIND=dp), ALLOCATABLE                        :: tmp1(:)
     911              :       INTEGER                                              :: n1, n2, n3
     912              :       INTEGER                                              :: tid, nt
     913              :       INTEGER                                              :: i, j, k
     914              : 
     915       675137 :       n1 = plan%n_3d(1)
     916       675137 :       n2 = plan%n_3d(2)
     917       675137 :       n3 = plan%n_3d(3)
     918              : 
     919       675137 :       stat = 1
     920              : 
     921              :       ! We use a POINTER to the output array to avoid duplicating code
     922       675137 :       IF (plan%fft_in_place) THEN
     923       667563 :          xout => zin(:n1*n2*n3)
     924              :       ELSE
     925         7574 :          xout => zout(:n1*n2*n3)
     926              :       END IF
     927              : 
     928              :       ! Either compute the full 3D FFT using a multithreaded plan
     929       675137 :       IF (.NOT. plan%separated_plans) THEN
     930       675137 :          CALL fftw_execute_dft(plan%fftw_plan, zin, xout)
     931              :       ELSE
     932              :          ! Or use the 3 stage FFT scheme described in fftw3_create_plan_3d
     933            0 :          ALLOCATE (tmp1(n1*n2*n3))   ! Temporary vector used for transpositions
     934            0 :          !$OMP PARALLEL DEFAULT(NONE) PRIVATE(tid,nt,i,j,k) SHARED(zin,tmp1,n1,n2,n3,plan,xout)
     935              :          tid = 0
     936              :          nt = 1
     937              : 
     938              : !$       tid = omp_get_thread_num()
     939              : !$       nt = omp_get_num_threads()
     940              :          CALL fftw3_workshare_execute_dft(plan%fftw_plan_nx, plan%fftw_plan_nx_r, &
     941              :                                           n3, nt, tid, &
     942              :                                           zin, n1*n2, tmp1, n1*n2)
     943              : 
     944              :          !$OMP BARRIER
     945              :          CALL fftw3_workshare_execute_dft(plan%fftw_plan_ny, plan%fftw_plan_ny_r, &
     946              :                                           n3, nt, tid, &
     947              :                                           tmp1, n1*n2, xout, 1)
     948              :          !$OMP BARRIER
     949              :          CALL fftw3_workshare_execute_dft(plan%fftw_plan_nz, plan%fftw_plan_nz_r, &
     950              :                                           n1, nt, tid, &
     951              :                                           xout, n2*n3, tmp1, n2*n3)
     952              :          !$OMP BARRIER
     953              : 
     954              :          !$OMP DO COLLAPSE(3)
     955              :          DO i = 1, n1
     956              :             DO j = 1, n2
     957              :                DO k = 1, n3
     958              :                   xout((i - 1) + (j - 1)*n1 + (k - 1)*n1*n2 + 1) = &
     959              :                      tmp1((k - 1) + (j - 1)*n3 + (i - 1)*n3*n2 + 1)
     960              :                END DO
     961              :             END DO
     962              :          END DO
     963              :          !$OMP END DO
     964              : 
     965              :          !$OMP END PARALLEL
     966              :       END IF
     967              : 
     968       675137 :       IF (scale /= 1.0_dp) THEN
     969       317006 :          CALL zdscal(n1*n2*n3, scale, xout, 1)
     970              :       END IF
     971              : 
     972              : #else
     973              :       MARK_USED(plan)
     974              :       MARK_USED(scale)
     975              :       !MARK_USED does not work with assumed size arguments
     976              :       IF (.FALSE.) THEN; DO; IF (ABS(zin(1)) > ABS(zout(1))) EXIT; END DO; END IF
     977              :       stat = 0
     978              : 
     979              : #endif
     980              : 
     981       675137 :    END SUBROUTINE fftw33d
     982              : 
     983              : ! **************************************************************************************************
     984              : 
     985              : ! **************************************************************************************************
     986              : !> \brief ...
     987              : !> \param plan ...
     988              : !> \param zin ...
     989              : !> \param zout ...
     990              : ! **************************************************************************************************
     991       467762 :    SUBROUTINE fftw3_create_plan_1d(plan, zin, zout)
     992              :       TYPE(fft_plan_type), INTENT(INOUT)                 :: plan
     993              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(IN)         :: zin
     994              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(IN)         :: zout
     995              : #if defined(__FFTW3)
     996              :       INTEGER                                            :: istride, idist, ostride, odist, num_threads, num_rows
     997              : 
     998       467762 :       num_threads = 1
     999       467762 :       plan%separated_plans = .FALSE.
    1000              : !$OMP PARALLEL DEFAULT(NONE), &
    1001       467762 : !$OMP          SHARED(NUM_THREADS)
    1002              : !$OMP MASTER
    1003              : !$    num_threads = omp_get_num_threads()
    1004              : !$OMP END MASTER
    1005              : !$OMP END PARALLEL
    1006              : 
    1007       467762 :       num_rows = plan%m/num_threads
    1008       467762 : !$    plan%num_threads_needed = num_threads
    1009              : 
    1010              : ! Check for number of rows less than num_threads
    1011       467762 : !$    IF (plan%m < num_threads) THEN
    1012            0 : !$       num_rows = 1
    1013            0 : !$       plan%num_threads_needed = plan%m
    1014              : !$    END IF
    1015              : 
    1016              : ! Check for total number of rows not divisible by num_threads
    1017       467762 : !$    IF (num_rows*plan%num_threads_needed /= plan%m) THEN
    1018            0 : !$       plan%need_alt_plan = .TRUE.
    1019              : !$    END IF
    1020              : 
    1021       467762 : !$    plan%num_rows = num_rows
    1022       467762 :       istride = 1
    1023       467762 :       idist = plan%ldx_in
    1024       467762 :       ostride = 1
    1025       467762 :       odist = plan%ldx_out
    1026       467762 :       IF (plan%trans_in) THEN
    1027       361775 :          istride = plan%ldx_in
    1028       361775 :          idist = 1
    1029              :       END IF
    1030       467762 :       IF (plan%trans_out) THEN
    1031       361775 :          ostride = plan%ldx_out
    1032       361775 :          odist = 1
    1033              :       END IF
    1034              : 
    1035       467762 :       IF (plan%fsign == +1) THEN
    1036              :          CALL dfftw_plan_many_dft(plan%fftw_plan, 1, plan%n, num_rows, zin, 0, istride, idist, &
    1037       232298 :                                   zout, 0, ostride, odist, FFTW_FORWARD, fftw_plan_type)
    1038              :       ELSE
    1039              :          CALL dfftw_plan_many_dft(plan%fftw_plan, 1, plan%n, num_rows, zin, 0, istride, idist, &
    1040       235464 :                                   zout, 0, ostride, odist, FFTW_BACKWARD, fftw_plan_type)
    1041              :       END IF
    1042              : 
    1043       467762 : !$    IF (plan%need_alt_plan) THEN
    1044            0 : !$       plan%alt_num_rows = plan%m - (plan%num_threads_needed - 1)*num_rows
    1045            0 : !$       IF (plan%fsign == +1) THEN
    1046              : !$          CALL dfftw_plan_many_dft(plan%alt_fftw_plan, 1, plan%n, plan%alt_num_rows, zin, 0, istride, idist, &
    1047            0 : !$                                   zout, 0, ostride, odist, FFTW_FORWARD, fftw_plan_type)
    1048              : !$       ELSE
    1049              : !$          CALL dfftw_plan_many_dft(plan%alt_fftw_plan, 1, plan%n, plan%alt_num_rows, zin, 0, istride, idist, &
    1050            0 : !$                                   zout, 0, ostride, odist, FFTW_BACKWARD, fftw_plan_type)
    1051              : !$       END IF
    1052              : !$    END IF
    1053              : 
    1054              : #else
    1055              :       MARK_USED(plan)
    1056              :       !MARK_USED does not work with assumed size arguments
    1057              :       IF (.FALSE.) THEN; DO; IF (ABS(zin(1)) > ABS(zout(1))) EXIT; END DO; END IF
    1058              : #endif
    1059              : 
    1060       467762 :    END SUBROUTINE fftw3_create_plan_1d
    1061              : 
    1062              : ! **************************************************************************************************
    1063              : !> \brief ...
    1064              : !> \param plan ...
    1065              : ! **************************************************************************************************
    1066       531094 :    SUBROUTINE fftw3_destroy_plan(plan)
    1067              : 
    1068              :       TYPE(fft_plan_type), INTENT(INOUT)   :: plan
    1069              : 
    1070              : #if defined(__FFTW3)
    1071       531094 : !$    IF (plan%need_alt_plan) THEN
    1072            0 : !$       CALL fftw_destroy_plan(plan%alt_fftw_plan)
    1073              : !$    END IF
    1074              : 
    1075       531094 :       IF (.NOT. plan%separated_plans) THEN
    1076       531094 :          CALL fftw_destroy_plan(plan%fftw_plan)
    1077              :       ELSE
    1078              :          ! If it is a separated plan then we have to destroy
    1079              :          ! each dim plan individually
    1080            0 :          CALL fftw_destroy_plan(plan%fftw_plan_nx)
    1081            0 :          CALL fftw_destroy_plan(plan%fftw_plan_ny)
    1082            0 :          CALL fftw_destroy_plan(plan%fftw_plan_nz)
    1083            0 :          CALL fftw_destroy_plan(plan%fftw_plan_nx_r)
    1084            0 :          CALL fftw_destroy_plan(plan%fftw_plan_ny_r)
    1085            0 :          CALL fftw_destroy_plan(plan%fftw_plan_nz_r)
    1086              :       END IF
    1087              : 
    1088              : #else
    1089              :       MARK_USED(plan)
    1090              : #endif
    1091              : 
    1092       531094 :    END SUBROUTINE fftw3_destroy_plan
    1093              : 
    1094              : ! **************************************************************************************************
    1095              : !> \brief ...
    1096              : !> \param plan ...
    1097              : !> \param zin ...
    1098              : !> \param zout ...
    1099              : !> \param scale ...
    1100              : !> \param stat ...
    1101              : ! **************************************************************************************************
    1102     20358318 :    SUBROUTINE fftw31dm(plan, zin, zout, scale, stat)
    1103              :       TYPE(fft_plan_type), INTENT(IN)                    :: plan
    1104              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT), &
    1105              :          TARGET                                          :: zin
    1106              :       COMPLEX(KIND=dp), DIMENSION(*), INTENT(INOUT), &
    1107              :          TARGET                                          :: zout
    1108              :       REAL(KIND=dp), INTENT(IN)                          :: scale
    1109              :       INTEGER, INTENT(OUT)                               :: stat
    1110              : 
    1111              :       INTEGER                                            :: in_offset, my_id, num_rows, out_offset, &
    1112              :                                                             scal_offset
    1113              :       TYPE(C_PTR)                                        :: fftw_plan
    1114              : !------------------------------------------------------------------------------
    1115              : 
    1116     20358318 :       my_id = 0
    1117     20358318 :       num_rows = plan%m
    1118              : 
    1119              : #if defined(__FFTW3)
    1120     20358318 :       IF (plan%m <= 1) THEN
    1121       108390 :          stat = 1
    1122       108390 :          CALL fftw_execute_dft(plan%fftw_plan, zin(1), zout(1))
    1123       108390 :          IF (scale /= 1.0_dp) CALL zdscal(plan%n*plan%m, scale, zout, 1)
    1124       108390 :          RETURN
    1125              :       END IF
    1126              : #endif
    1127              : 
    1128              : !$OMP PARALLEL DEFAULT(NONE), &
    1129              : !$OMP          PRIVATE(my_id,num_rows,in_offset,out_offset,scal_offset,fftw_plan), &
    1130              : !$OMP          SHARED(zin,zout), &
    1131     20249928 : !$OMP          SHARED(plan,scale,stat)
    1132              : !$    my_id = omp_get_thread_num()
    1133              : 
    1134              : !$    if (my_id < plan%num_threads_needed) then
    1135              : 
    1136              :          fftw_plan = plan%fftw_plan
    1137              : 
    1138              :          in_offset = 1
    1139              :          out_offset = 1
    1140              :          scal_offset = 1
    1141              : 
    1142              : !$       in_offset = 1 + plan%num_rows*my_id*plan%n
    1143              : !$       out_offset = 1 + plan%num_rows*my_id*plan%n
    1144              : !$       IF (plan%trans_in) THEN
    1145              : !$          in_offset = 1 + plan%num_rows*my_id
    1146              : !$       END IF
    1147              : !$       IF (plan%trans_out) THEN
    1148              : !$          out_offset = 1 + plan%num_rows*my_id
    1149              : !$       END IF
    1150              : !$       scal_offset = 1 + plan%n*plan%num_rows*my_id
    1151              : !$       IF (plan%need_alt_plan .AND. my_id == plan%num_threads_needed - 1) THEN
    1152              : !$          num_rows = plan%alt_num_rows
    1153              : !$          fftw_plan = plan%alt_fftw_plan
    1154              : !$       ELSE
    1155              : !$          num_rows = plan%num_rows
    1156              : !$       END IF
    1157              : 
    1158              : #if defined(__FFTW3)
    1159              : !$OMP MASTER
    1160              :          stat = 1
    1161              : !$OMP END MASTER
    1162              :          CALL fftw_execute_dft(fftw_plan, zin(in_offset), zout(out_offset))
    1163              : !$    end if
    1164              : ! all threads need to meet at this barrier
    1165              : !$OMP BARRIER
    1166              : !$    if (my_id < plan%num_threads_needed) then
    1167              :          IF (scale /= 1.0_dp) CALL zdscal(plan%n*num_rows, scale, zout(scal_offset:scal_offset), 1)
    1168              : !$    end if
    1169              : 
    1170              : #else
    1171              :       MARK_USED(plan)
    1172              :       MARK_USED(scale)
    1173              :       !MARK_USED does not work with assumed size arguments
    1174              :       IF (.FALSE.) THEN; DO; IF (ABS(zin(1)) > ABS(zout(1))) EXIT; END DO; END IF
    1175              :       stat = 0
    1176              : 
    1177              : !$    else
    1178              : !$    end if
    1179              : 
    1180              : #endif
    1181              : 
    1182              : !$OMP END PARALLEL
    1183              : 
    1184              :       END SUBROUTINE fftw31dm
    1185              : 
    1186            0 :    END MODULE fftw3_lib
        

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