Line data    Source code

       1             : !--------------------------------------------------------------------------------------------------!
       2             : !   CP2K: A general program to perform molecular dynamics simulations                              !
       3             : !   Copyright 2000-2024 CP2K developers group <https://cp2k.org>                                   !
       4             : !                                                                                                  !
       5             : !   SPDX-License-Identifier: GPL-2.0-or-later                                                      !
       6             : !--------------------------------------------------------------------------------------------------!
       7             : 
       8             : ! **************************************************************************************************
       9             : !> \brief Counters to determine the performance of parallel DGEMMs
      10             : !> \par History
      11             : !>       2022.05 created [Mauro Del Ben]
      12             : !> \author FS, Refactored from mp2_types
      13             : ! **************************************************************************************************
      14             : MODULE dgemm_counter_types
      15             :    USE kinds,                           ONLY: dp
      16             :    USE machine,                         ONLY: m_walltime
      17             :    USE message_passing,                 ONLY: mp_para_env_type
      18             : #include "./base/base_uses.f90"
      19             : 
      20             :    IMPLICIT NONE
      21             : 
      22             :    PRIVATE
      23             : 
      24             :    CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'dgemm_counter_types'
      25             : 
      26             :    PUBLIC :: dgemm_counter_type, &
      27             :              dgemm_counter_init, &
      28             :              dgemm_counter_start, &
      29             :              dgemm_counter_stop, &
      30             :              dgemm_counter_write
      31             : 
      32             :    TYPE dgemm_counter_type
      33             :       PRIVATE
      34             :       REAL(KIND=dp) :: flop_rate = 0.0_dp, t_start = 0.0_dp
      35             :       INTEGER :: num_dgemm_call = 0
      36             :       INTEGER :: unit_nr = -1
      37             :       LOGICAL :: print_info = .FALSE.
      38             :    END TYPE
      39             : 
      40             : CONTAINS
      41             : 
      42             : ! **************************************************************************************************
      43             : !> \brief Initialize a dgemm_counter
      44             : !> \param dgemm_counter ...
      45             : !> \param unit_nr ...
      46             : !> \param print_info ...
      47             : ! **************************************************************************************************
      48         592 :    ELEMENTAL SUBROUTINE dgemm_counter_init(dgemm_counter, unit_nr, print_info)
      49             :       TYPE(dgemm_counter_type), INTENT(OUT)              :: dgemm_counter
      50             :       INTEGER, INTENT(IN)                                :: unit_nr
      51             :       LOGICAL, INTENT(IN)                                :: print_info
      52             : 
      53         592 :       dgemm_counter%unit_nr = unit_nr
      54         592 :       dgemm_counter%print_info = print_info
      55             : 
      56         592 :    END SUBROUTINE dgemm_counter_init
      57             : 
      58             : ! **************************************************************************************************
      59             : !> \brief start timer of the counter
      60             : !> \param dgemm_counter ...
      61             : ! **************************************************************************************************
      62        7950 :    SUBROUTINE dgemm_counter_start(dgemm_counter)
      63             :       TYPE(dgemm_counter_type), INTENT(INOUT)            :: dgemm_counter
      64             : 
      65        7950 :       dgemm_counter%t_start = m_walltime()
      66             : 
      67        7950 :    END SUBROUTINE dgemm_counter_start
      68             : 
      69             : ! **************************************************************************************************
      70             : !> \brief stop timer of the counter and provide matrix sizes
      71             : !> \param dgemm_counter ...
      72             : !> \param size1 ...
      73             : !> \param size2 ...
      74             : !> \param size3 ...
      75             : ! **************************************************************************************************
      76        7950 :    SUBROUTINE dgemm_counter_stop(dgemm_counter, size1, size2, size3)
      77             :       TYPE(dgemm_counter_type), INTENT(INOUT)            :: dgemm_counter
      78             :       INTEGER, INTENT(IN)                                :: size1, size2, size3
      79             : 
      80             :       REAL(KIND=dp)                                      :: flop_rate, t_end
      81             : 
      82        7950 :       t_end = m_walltime()
      83        7950 :       flop_rate = 2.0_dp*REAL(size1, dp)*REAL(size2, dp)*REAL(size3, dp)/MAX(0.001_dp, t_end - dgemm_counter%t_start)
      84        7950 :       dgemm_counter%num_dgemm_call = dgemm_counter%num_dgemm_call + 1
      85        7950 :       IF (dgemm_counter%unit_nr > 0 .AND. dgemm_counter%print_info) THEN
      86             :          WRITE (UNIT=dgemm_counter%unit_nr, FMT="(T3,A,I10)") &
      87           0 :             "PERFORMANCE| DGEMM call #", dgemm_counter%num_dgemm_call
      88             :          WRITE (UNIT=dgemm_counter%unit_nr, FMT="(T3,A,I12,A,I12,A,I12)") &
      89           0 :             "PERFORMANCE| DGEMM size (M x N x K) = ", size1, " x ", size2, " x ", size3
      90             :          WRITE (UNIT=dgemm_counter%unit_nr, FMT="(T3,A,F15.5)") &
      91           0 :             "PERFORMANCE| DGEMM time (s) = ", t_end - dgemm_counter%t_start
      92             :       END IF
      93        7950 :       dgemm_counter%flop_rate = dgemm_counter%flop_rate + flop_rate
      94             : 
      95        7950 :    END SUBROUTINE dgemm_counter_stop
      96             : 
      97             : ! **************************************************************************************************
      98             : !> \brief calculate and print flop rates
      99             : !> \param dgemm_counter ...
     100             : !> \param para_env ...
     101             : ! **************************************************************************************************
     102         486 :    SUBROUTINE dgemm_counter_write(dgemm_counter, para_env)
     103             :       TYPE(dgemm_counter_type), INTENT(INOUT)            :: dgemm_counter
     104             :       TYPE(mp_para_env_type), INTENT(IN)                 :: para_env
     105             : 
     106         486 :       dgemm_counter%flop_rate = dgemm_counter%flop_rate/REAL(MAX(dgemm_counter%num_dgemm_call, 1), dp)/1.0E9_dp
     107             :       ! Average over all ranks
     108         486 :       CALL para_env%sum(dgemm_counter%flop_rate)
     109         486 :       dgemm_counter%flop_rate = dgemm_counter%flop_rate/(REAL(para_env%num_pe, dp)*REAL(para_env%num_pe, dp))
     110         486 :       IF (dgemm_counter%unit_nr > 0) WRITE (UNIT=dgemm_counter%unit_nr, FMT="(T3,A,T66,F15.2)") &
     111         243 :          "PERFORMANCE| Average DGEMM flop rate (Gflops / MPI rank):", dgemm_counter%flop_rate
     112             : 
     113         486 :    END SUBROUTINE dgemm_counter_write
     114             : 
     115           0 : END MODULE dgemm_counter_types