Line data    Source code

       1              : !--------------------------------------------------------------------------------------------------!
       2              : !   CP2K: A general program to perform molecular dynamics simulations                              !
       3              : !   Copyright 2000-2025 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          654 :    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          654 :       dgemm_counter%unit_nr = unit_nr
      54          654 :       dgemm_counter%print_info = print_info
      55              : 
      56          654 :    END SUBROUTINE dgemm_counter_init
      57              : 
      58              : ! **************************************************************************************************
      59              : !> \brief start timer of the counter
      60              : !> \param dgemm_counter ...
      61              : ! **************************************************************************************************
      62        17334 :    SUBROUTINE dgemm_counter_start(dgemm_counter)
      63              :       TYPE(dgemm_counter_type), INTENT(INOUT)            :: dgemm_counter
      64              : 
      65        17334 :       dgemm_counter%t_start = m_walltime()
      66              : 
      67        17334 :    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        17334 :    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        17334 :       t_end = m_walltime()
      83        17334 :       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        17334 :       dgemm_counter%num_dgemm_call = dgemm_counter%num_dgemm_call + 1
      85        17334 :       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        17334 :       dgemm_counter%flop_rate = dgemm_counter%flop_rate + flop_rate
      94              : 
      95        17334 :    END SUBROUTINE dgemm_counter_stop
      96              : 
      97              : ! **************************************************************************************************
      98              : !> \brief calculate and print flop rates
      99              : !> \param dgemm_counter ...
     100              : !> \param para_env ...
     101              : ! **************************************************************************************************
     102          636 :    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          636 :       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          636 :       CALL para_env%sum(dgemm_counter%flop_rate)
     109          636 :       dgemm_counter%flop_rate = dgemm_counter%flop_rate/(REAL(para_env%num_pe, dp)*REAL(para_env%num_pe, dp))
     110          636 :       IF (dgemm_counter%unit_nr > 0) WRITE (UNIT=dgemm_counter%unit_nr, FMT="(T3,A,T66,F15.2)") &
     111          318 :          "PERFORMANCE| Average DGEMM flop rate (Gflops / MPI rank):", dgemm_counter%flop_rate
     112              : 
     113          636 :    END SUBROUTINE dgemm_counter_write
     114              : 
     115            0 : END MODULE dgemm_counter_types