quantum-espresso/LAXlib/test.f90

497 lines
14 KiB
Fortran

PROGRAM lax_test
use laxlib_descriptor
USE laxlib_parallel_include
use dspev_module
IMPLICIT NONE
include 'laxlib_kinds.fh'
include 'laxlib_param.fh'
include 'laxlib_hi.fh'
include 'laxlib_low.fh'
#if defined(__MPI)
INTEGER STATUS(MPI_STATUS_SIZE)
#else
INTEGER :: MPI_MAX_PROCESSOR_NAME=64
#endif
INTEGER :: mype, npes, comm, ntgs, root
LOGICAL :: iope
INTEGER :: ierr
INTEGER :: stdout
!
INTEGER :: np_ortho(2) = 1 ! size of the processor grid used in ortho
INTEGER :: me_ortho(2) = 0 ! coordinates of the processors
INTEGER :: me_ortho1 = 0 ! task id for the ortho group
INTEGER :: nproc_ortho = 1 ! size of the ortho group:
! of two neighbour processors in ortho_comm
INTEGER :: ortho_comm = 0 ! communicator for the ortho group
INTEGER :: ortho_row_comm = 0 ! communicator for the ortho row group
INTEGER :: ortho_col_comm = 0 ! communicator for the ortho col group
INTEGER :: ortho_comm_id= 0 ! id of the ortho_comm
INTEGER :: ortho_parent_comm = 0 ! parent communicator from which ortho group has been created
!
#if defined __SCALAPACK
INTEGER :: me_blacs = 0 ! BLACS processor index starting from 0
INTEGER :: np_blacs = 1 ! BLACS number of processor
#endif
!
INTEGER :: world_cntx = -1 ! BLACS context of all processor
INTEGER :: ortho_cntx = -1 ! BLACS context for ortho_comm
LOGICAL :: do_distr_diag_inside_bgrp = .FALSE.
LOGICAL :: la_proc
INTEGER, ALLOCATABLE :: rank_ip( :, : )
INTEGER, ALLOCATABLE :: irc_ip( : )
INTEGER, ALLOCATABLE :: nrc_ip( : )
INTEGER, ALLOCATABLE :: idesc_ip(:,:,:)
!
#if defined(__INTEL_COMPILER)
#if __INTEL_COMPILER >= 1300
! the following is a workaround for Intel 12.1 bug
#if __INTEL_COMPILER < 9999
!dir$ attributes align: 4096 :: a, s, c, d
#endif
#endif
#endif
REAL(DP), ALLOCATABLE :: a(:,:)
REAL(DP), ALLOCATABLE :: s(:,:)
REAL(DP), ALLOCATABLE :: c(:,:)
REAL(DP), ALLOCATABLE :: d(:)
!
REAL(DP) :: time1, time2
REAL*8 :: tempo(100)
REAL*8, allocatable :: tempo_tutti(:)
REAL*8, allocatable :: perf_matrix(:,:)
REAL*8, allocatable :: latency_matrix(:,:)
integer, allocatable :: perf_count(:,:)
REAL*8 :: tempo_mio(100)
REAL*8 :: tempo_min(100)
REAL*8 :: tempo_max(100)
REAL*8 :: tempo_avg(100)
TYPE(la_descriptor) :: desc
INTEGER :: idesc(LAX_DESC_SIZE)
INTEGER :: i, ir, ic, nx, n, nr, nc ! size of the matrix
INTEGER :: n_in, nlen, dest, sour, tag, ii
INTEGER :: nnodes
!
integer :: nargs
CHARACTER(LEN=80) :: arg
CHARACTER(LEN=MPI_MAX_PROCESSOR_NAME), allocatable :: proc_name(:)
CHARACTER(LEN=MPI_MAX_PROCESSOR_NAME), allocatable :: node_name(:)
INTEGER, allocatable :: proc2node(:)
#if defined(_OPENMP)
INTEGER, EXTERNAL :: omp_get_max_threads
#endif
!
#if defined(_OPENMP)
INTEGER :: PROVIDED
#endif
!
! ........
!
! default parameter
!
n_in = 1024
!
nargs = command_argument_count()
do i = 1, nargs - 1
CALL get_command_argument(i, arg)
IF( TRIM( arg ) == '-n' ) THEN
CALL get_command_argument(i+1, arg)
READ( arg, * ) n_in
END IF
end do
#if defined(__MPI)
#if defined(_OPENMP)
CALL MPI_Init_thread(MPI_THREAD_FUNNELED, PROVIDED, ierr)
#else
CALL MPI_Init(ierr)
#endif
CALL mpi_comm_rank(MPI_COMM_WORLD,mype,ierr)
CALL mpi_comm_size(MPI_COMM_WORLD,npes,ierr)
comm = MPI_COMM_WORLD
ntgs = 1
root = 0
IF(mype==root) THEN
iope = .true.
ELSE
iope = .false.
ENDIF
#else
mype = 0
npes = 1
comm = 0
ntgs = 1
root = 0
iope = .true.
#endif
OPEN ( unit = 6, file = TRIM('test.out'), status='unknown' )
!
!write(6,*) 'mype = ', mype, ' npes = ', npes
!
!
! Broadcast input parameter first
!
#if defined(__MPI)
CALL MPI_BCAST(n_in, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr )
#endif
n = n_in
if( mype == 0 ) then
write(6,*) '+-----------------------------------+'
write(6,*) '| QE Linear Algebra |'
write(6,*) '| testing & timing |'
write(6,*) '| by Carlo Cavazzoni |'
write(6,*) '+-----------------------------------+'
write(6,*)
write(6,*) 'matrix size = ', n, ' x ', n
write(6,*) 'num. procs = ', npes
#if defined(_OPENMP)
write(6,*) 'thr x proc = ', omp_get_max_threads()
#endif
write(6,*)
endif
allocate( proc_name( npes ) )
allocate( node_name( npes ) )
allocate( proc2node( npes ) )
nnodes = 0
do i = 1, npes
#if defined(__MPI)
if( mype == i-1 ) then
call MPI_Get_processor_name( proc_name(i), nlen, ierr )
end if
CALL MPI_BCAST( nlen, 1, MPI_INT, i-1, MPI_COMM_WORLD, ierr )
CALL MPI_BCAST( proc_name(i), MPI_MAX_PROCESSOR_NAME, MPI_CHARACTER, i-1, MPI_COMM_WORLD, ierr )
#else
proc_name(i) = 'localhost'
#endif
if( mype == 0 ) then
! write(6,310) i, proc_name(i)
end if
310 FORMAT('pe = ',I5,' name = ', A20)
do ii = 1, nnodes
if( proc_name(i) == node_name(ii) ) then
exit
end if
end do
if( ii > nnodes ) then
nnodes = nnodes + 1
node_name( nnodes ) = proc_name( i )
end if
proc2node( i ) = ii
end do
!
if( mype == 0 ) then
write(6,*) '+-----------------------------------+'
write(6,*) '| node list |'
write(6,*) '+-----------------------------------+'
write(6,*)
do ii = 1, nnodes
write(6,310) ii, node_name(ii)
end do
end if
allocate( perf_matrix( nnodes, nnodes ) )
allocate( latency_matrix( nnodes, nnodes ) )
allocate( perf_count( nnodes, nnodes ) )
perf_matrix = 0.0d0
latency_matrix = 0.0d0
perf_count = 0
! Check core speed
!
#if defined(__MPI)
CALL MPI_BARRIER( MPI_COMM_WORLD, ierr)
#endif
nx = 1024
ALLOCATE( s( nx, nx ) )
ALLOCATE( a( nx, nx ) )
ALLOCATE( c( nx, nx ) )
ALLOCATE( tempo_tutti( npes ) )
tempo_tutti = 0.0d0
a = 1.0d0
s = 1.0d0
c = 1.0d0
CALL dgemm('n', 'n', nx, nx, nx, 1.0d0, A, nx, s, nx, 1.0d0, C, nx)
#if defined(__MPI)
tempo(1) = MPI_WTIME()
#endif
CALL dgemm('n', 'n', nx, nx, nx, 1.0d0, A, nx, s, nx, 1.0d0, C, nx)
CALL dgemm('n', 'n', nx, nx, nx, 1.0d0, A, nx, s, nx, 1.0d0, C, nx)
CALL dgemm('n', 'n', nx, nx, nx, 1.0d0, A, nx, s, nx, 1.0d0, C, nx)
CALL dgemm('n', 'n', nx, nx, nx, 1.0d0, A, nx, s, nx, 1.0d0, C, nx)
CALL dgemm('n', 'n', nx, nx, nx, 1.0d0, A, nx, s, nx, 1.0d0, C, nx)
#if defined(__MPI)
tempo(2) = MPI_WTIME()
#endif
DEALLOCATE( s )
DEALLOCATE( a )
DEALLOCATE( c )
tempo_tutti(mype+1) = tempo(2)-tempo(1)
#if defined(__MPI)
CALL MPI_ALLREDUCE( MPI_IN_PLACE, tempo_tutti, npes, MPI_DOUBLE_PRECISION, MPI_SUM, MPI_COMM_WORLD, ierr )
#endif
if( mype == 0 ) then
write(6,*)
write(6,*)
write(6,*)
write(6,*) '+-----------------------------------+'
write(6,*) '| measured task performances |'
write(6,*) '+-----------------------------------+'
do i = 1, npes
write(6,300) i, 5.0d0*DBLE(nx*nx*nx)*2.0d0/tempo_tutti(i)/1.0D+9, proc_name(i)
end do
end if
300 FORMAT('pe = ',I5,',', F8.3, ' GFlops', ', node: ', A20)
!
! Check network speed
!
nx = 2048
ALLOCATE( s( nx, nx ) )
tempo_tutti = 0.0d0
do ii = 0, npes-1
do i = 0, ii-1
sour = ii
dest = i
tag = i + ii * npes
#if defined(__MPI)
CALL MPI_BARRIER( MPI_COMM_WORLD, ierr)
if( ( mype == sour ) .or. ( mype == dest ) ) THEN
tempo(1) = MPI_WTIME()
if( mype == dest ) then
CALL MPI_SEND(s, nx*nx, MPI_DOUBLE_PRECISION, sour, TAG, MPI_COMM_WORLD, ierr)
CALL MPI_RECV(s, nx*nx, MPI_DOUBLE_PRECISION, sour, TAG+NPES*NPES, MPI_COMM_WORLD, status, ierr)
else if( mype == sour ) then
CALL MPI_RECV(s, nx*nx, MPI_DOUBLE_PRECISION, dest, TAG, MPI_COMM_WORLD, status, ierr)
CALL MPI_SEND(s, nx*nx, MPI_DOUBLE_PRECISION, dest, TAG+NPES*NPES, MPI_COMM_WORLD, ierr)
endif
tempo(2) = MPI_WTIME()
perf_matrix( proc2node( ii+1 ), proc2node( i+1 ) ) = perf_matrix( proc2node( ii+1 ), proc2node( i+1 ) ) + &
2.0d0*DBLE(nx*nx)*8.0d0/(tempo(2)-tempo(1))/1.0D+9
perf_count( proc2node( ii+1 ), proc2node( i+1 ) ) = perf_count( proc2node( ii+1 ), proc2node( i+1 ) ) + 1
END IF
CALL MPI_BARRIER( MPI_COMM_WORLD, ierr)
if( ( mype == sour ) .or. ( mype == dest ) ) THEN
tempo(1) = MPI_WTIME()
if( mype == dest ) then
CALL MPI_SEND(ii, 1, MPI_BYTE, sour, TAG, MPI_COMM_WORLD, ierr)
CALL MPI_RECV(ii, 1, MPI_BYTE, sour, TAG+NPES, MPI_COMM_WORLD, status, ierr)
else if( mype == sour ) then
CALL MPI_RECV(ii, 1, MPI_BYTE, dest, TAG, MPI_COMM_WORLD, status, ierr)
CALL MPI_SEND(ii, 1, MPI_BYTE, dest, TAG+NPES, MPI_COMM_WORLD, ierr)
endif
tempo(2) = MPI_WTIME()
latency_matrix( proc2node( ii+1 ), proc2node( i+1 ) ) = latency_matrix( proc2node( ii+1 ), proc2node( i+1 ) ) + &
(tempo(2)-tempo(1))
END IF
#endif
end do
end do
#if defined(__MPI)
CALL MPI_ALLREDUCE( MPI_IN_PLACE, perf_matrix, SIZE(perf_matrix), MPI_DOUBLE_PRECISION, MPI_SUM, MPI_COMM_WORLD, ierr )
CALL MPI_ALLREDUCE( MPI_IN_PLACE, latency_matrix, SIZE(latency_matrix), MPI_DOUBLE_PRECISION, MPI_SUM, MPI_COMM_WORLD, ierr )
CALL MPI_ALLREDUCE( MPI_IN_PLACE, perf_count, SIZE(perf_count), MPI_INTEGER, MPI_SUM, MPI_COMM_WORLD, ierr )
#endif
if( mype == 0 ) then
write(6,*)
write(6,*)
write(6,*)
write(6,*) '+-----------------------------------+'
write(6,*) '| ping-pong network bandwidth |'
write(6,*) '+-----------------------------------+'
write(6,*)
do ii = 1, nnodes
do i = 1, nnodes
if( perf_count(i,ii) > 0 ) then
perf_matrix(i,ii) = perf_matrix(i,ii) / perf_count(i,ii)
write( 6, 314 ) node_name(i), node_name(ii), perf_count(i,ii), perf_matrix(i,ii)
end if
end do
end do
314 FORMAT( A20, A20, I5, ':', F8.3, 'GBytes')
write(6,*)
write(6,*) '+-----------------------------------+'
write(6,*) '| ping-pong network latency |'
write(6,*) '+-----------------------------------+'
write(6,*)
do ii = 1, nnodes
do i = 1, nnodes
if( perf_count(i,ii) > 0 ) then
latency_matrix(i,ii) = latency_matrix(i,ii) / perf_count(i,ii)
write( 6, 315 ) node_name(i), node_name(ii), perf_count(i,ii), latency_matrix(i,ii)*1000000.0d0
end if
end do
end do
315 FORMAT( A20, A20, I5, ':', F10.3, 'usec')
end if
DEALLOCATE( s )
DEALLOCATE( tempo_tutti )
!
!
CALL laxlib_start(n, mpi_comm_world, mpi_comm_world, do_distr_diag_inside_bgrp)
CALL laxlib_getval( np_ortho = np_ortho, ortho_comm = ortho_comm, &
do_distr_diag_inside_bgrp = do_distr_diag_inside_bgrp )
!
ALLOCATE(rank_ip( np_ortho(1), np_ortho(2) ))
ALLOCATE( irc_ip( np_ortho(1) ), nrc_ip (np_ortho(1) ) )
CALL desc_init( n, nx, la_proc, idesc, rank_ip, irc_ip, nrc_ip )
!
CALL laxlib_intarray_to_desc( desc, idesc )
!
nx = 1
IF( desc%active_node > 0 ) nx = desc%nrcx
!
ALLOCATE( d( n ) )
ALLOCATE( s( nx, nx ) )
ALLOCATE( a( nx, nx ) )
ALLOCATE( c( nx, nx ) )
nr = desc%nr
nc = desc%nc
ir = desc%ir
ic = desc%ic
!
! do not take the time of the first execution, it may be biased from MPI
! initialization stuff
!
CALL set_a()
!
CALL diagonalize_parallel_x( n, a, d, s, idesc )
!
tempo = 0.0d0
tempo_mio = 0.0d0
tempo_min = 0.0d0
tempo_max = 0.0d0
tempo_avg = 0.0d0
CALL set_a()
!
#if defined(__MPI)
CALL MPI_BARRIER( MPI_COMM_WORLD, ierr)
tempo(1) = MPI_WTIME()
#endif
!
CALL diagonalize_parallel_x( n, a, d, s, idesc )
!
#if defined(__MPI)
CALL MPI_BARRIER( MPI_COMM_WORLD, ierr)
tempo(2) = MPI_WTIME()
#endif
!
CALL sqr_mm_cannon( 'N', 'N', n, 1.0d0, a, nx, s, nx, 0.0d0, c, nr, idesc)
!
#if defined(__MPI)
CALL MPI_BARRIER( MPI_COMM_WORLD, ierr)
tempo(3) = MPI_WTIME()
!
do i = 2, 10
tempo_mio(i) = tempo(i)-tempo(i-1)
end do
CALL MPI_ALLREDUCE( tempo_mio, tempo_min, 100, MPI_DOUBLE_PRECISION, MPI_MIN, MPI_COMM_WORLD, ierr )
CALL MPI_ALLREDUCE( tempo_mio, tempo_max, 100, MPI_DOUBLE_PRECISION, MPI_MAX, MPI_COMM_WORLD, ierr )
CALL MPI_ALLREDUCE( tempo_mio, tempo_avg, 100, MPI_DOUBLE_PRECISION, MPI_SUM, MPI_COMM_WORLD, ierr )
#else
tempo_min = tempo
tempo_max = tempo
#endif
tempo_avg = tempo_avg / npes
!
IF( mype == 0 ) THEN
write(6,*)
write(6,*) ' Matrix eigenvalues '
write(6,*)
IF ( n <= 16 ) THEN
DO i = 1, n
write(6,*) ' D(',i,')=',d(i)
END DO
ELSE
DO i = 1, 8
write(6,*) ' D(',i,')=',d(i)
END DO
write(6,*) ' ... '
DO i = n-8, n
write(6,*) ' D(',i,')=',d(i)
END DO
END IF
write(6,*)
ENDIF
if( mype == 0 ) then
write(6,*) '**** LA Timing ****'
write(6,*)
write(6,200) 2.0d0*n*n*n / 1.D9 / tempo_avg(3)
write(6,*)
write(6,100)
write(6,1)
write(6,100)
write(6,2) tempo_min(2), tempo_max(2), tempo_avg(2)
write(6,100)
write(6,3) tempo_min(3), tempo_max(3), tempo_avg(3)
write(6,100)
200 FORMAT(' GFlops = ', F14.2 )
100 FORMAT(' +--------------------+----------------+-----------------+----------------+' )
1 FORMAT(' |LAX subroutine | sec. min | sec. max | sec. avg |' )
2 FORMAT(' |diagonalize_parallel| ', D14.3, ' | ', D14.3, ' | ', D14.3, ' |' )
3 FORMAT(' |sqr_mm_cannon | ', D14.3, ' | ', D14.3, ' | ', D14.3, ' |' )
end if
deallocate( proc_name )
deallocate( node_name )
deallocate( proc2node )
deallocate( perf_matrix )
deallocate( perf_count )
#if defined(__MPI)
CALL mpi_finalize(ierr)
#endif
contains
SUBROUTINE set_a()
INTEGER :: i, j, ii, jj
IF( desc%active_node < 0 ) RETURN
DO j = 1, nc
DO i = 1, nr
ii = i + ir - 1
jj = j + ic - 1
IF( ii == jj ) THEN
a(i,j) = ( DBLE( n-ii+1 ) ) / DBLE( n ) + 1.0d0 / ( DBLE( ii+jj ) - 1.0d0 )
ELSE
a(i,j) = 1.0d0 / ( DBLE( ii+jj ) - 1.0d0 )
END IF
END DO
END DO
RETURN
END SUBROUTINE set_a
#if !defined(__MPI)
real*8 function MPI_WTIME()
mpi_wtime = 0
endfunction
#endif
end program lax_test