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Optimized MPI

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This commit is contained in:
Anthony Scemama 2018-06-07 19:26:57 +02:00
parent 261a8f6dfd
commit fe53949f63
3 changed files with 147 additions and 72 deletions
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16
plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
View File

@ -279,7 +279,13 @@ subroutine pt2_collector(zmq_socket_pull, E, b, tbc, comb, Ncomb, computed, pt2_
loop = .True.
pullLoop : do while (loop)
integer, external :: zmq_delete_tasks_async_send, zmq_delete_tasks_async_recv
integer, external :: zmq_delete_tasks
call pull_pt2_results(zmq_socket_pull, index, pt2_mwen, task_id, n_tasks)
if (zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more) == -1) then
stop 'Unable to send delete tasks'
endif
do i=1,n_tasks
pt2_detail(1:N_states, index(i)) += pt2_mwen(1:N_states,i)
parts_to_get(index(i)) -= 1
@ -292,17 +298,13 @@ subroutine pt2_collector(zmq_socket_pull, E, b, tbc, comb, Ncomb, computed, pt2_
if(parts_to_get(index(i)) == 0) actually_computed(index(i)) = .true.
enddo
integer, external :: zmq_delete_tasks
if (zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more) == -1) then
stop 'Unable to delete tasks'
endif
call wall_time(time)
if (more == 0) then
loop = .False.
endif
time = omp_get_wtime()
if(time - timeLast > 10d0 .or. (.not.loop)) then
if(time - timeLast > 4d0 .or. (.not.loop)) then
timeLast = time
do i=1, first_det_of_teeth(1)-1
if(.not.(actually_computed(i))) then

65
plugins/Full_CI_ZMQ/selection_davidson_slave.irp.f
View File

@ -51,20 +51,34 @@ subroutine run_wf
do
call wait_for_states(states,zmq_state,size(states))
if (mpi_master) then
print *, trim(zmq_state)
call wait_for_states(states,zmq_state,size(states))
endif
IRP_IF MPI
call MPI_BARRIER(MPI_COMM_WORLD, ierr)
if (ierr /= MPI_SUCCESS) then
print *, irp_here, 'error in barrier'
endif
call MPI_BCAST (zmq_state, 128, MPI_CHARACTER, 0, MPI_COMM_WORLD, ierr)
if (ierr /= MPI_SUCCESS) then
print *, irp_here, 'error in broadcast of zmq_state'
endif
IRP_ENDIF
if (zmq_state == old_state) then
cycle
else
old_state = zmq_state
endif
print *, trim(zmq_state)
if(zmq_state(1:7) == 'Stopped') then
exit
endif
else if (zmq_state(1:9) == 'selection') then
if (zmq_state(1:9) == 'selection') then
! Selection
! ---------
@ -80,12 +94,14 @@ subroutine run_wf
psi_energy(1:N_states) = energy(1:N_states)
TOUCH psi_energy state_average_weight threshold_selectors threshold_generators
print *, 'N_det', N_det
print *, 'N_det_generators', N_det_generators
print *, 'N_det_selectors', N_det_selectors
print *, 'psi_energy', psi_energy
print *, 'pt2_stoch_istate', pt2_stoch_istate
print *, 'state_average_weight', state_average_weight
if (mpi_master) then
print *, 'N_det', N_det
print *, 'N_det_generators', N_det_generators
print *, 'N_det_selectors', N_det_selectors
print *, 'psi_energy', psi_energy
print *, 'pt2_stoch_istate', pt2_stoch_istate
print *, 'state_average_weight', state_average_weight
endif
call wall_time(t1)
call write_double(6,(t1-t0),'Broadcast time')
@ -100,14 +116,15 @@ subroutine run_wf
! Davidson
! --------
print *, 'Davidson'
call wall_time(t0)
if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
if (zmq_get_N_states_diag(zmq_to_qp_run_socket,1) == -1) cycle
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states_diag) == -1) cycle
call wall_time(t1)
call write_double(6,(t1-t0),'Broadcast time')
if (mpi_master) then
call write_double(6,(t1-t0),'Broadcast time')
endif
call omp_set_nested(.True.)
call davidson_slave_tcp(0)
@ -119,7 +136,6 @@ subroutine run_wf
! PT2
! ---
print *, 'PT2'
call wall_time(t0)
if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
@ -131,12 +147,14 @@ subroutine run_wf
if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
psi_energy(1:N_states) = energy(1:N_states)
TOUCH psi_energy state_average_weight pt2_stoch_istate threshold_selectors threshold_generators
print *, 'N_det', N_det
print *, 'N_det_generators', N_det_generators
print *, 'N_det_selectors', N_det_selectors
print *, 'psi_energy', psi_energy
print *, 'pt2_stoch_istate', pt2_stoch_istate
print *, 'state_average_weight', state_average_weight
if (mpi_master) then
print *, 'N_det', N_det
print *, 'N_det_generators', N_det_generators
print *, 'N_det_selectors', N_det_selectors
print *, 'psi_energy', psi_energy
print *, 'pt2_stoch_istate', pt2_stoch_istate
print *, 'state_average_weight', state_average_weight
endif
call wall_time(t1)
call write_double(6,(t1-t0),'Broadcast time')
@ -152,13 +170,6 @@ subroutine run_wf
endif
IRP_IF MPI
call MPI_BARRIER(MPI_COMM_WORLD, ierr)
if (ierr /= MPI_SUCCESS) then
print *, irp_here, 'error in barrier'
endif
IRP_ENDIF
end do
IRP_IF MPI
call MPI_finalize(i)

138
src/ZMQ/utils.irp.f
View File

@ -148,15 +148,15 @@ function new_zmq_to_qp_run_socket()
stop 'Unable to create zmq req socket'
endif
rc = f77_zmq_setsockopt(new_zmq_to_qp_run_socket, ZMQ_SNDTIMEO, 300000, 4)
if (rc /= 0) then
stop 'Unable to set send timeout in new_zmq_to_qp_run_socket'
endif
rc = f77_zmq_setsockopt(new_zmq_to_qp_run_socket, ZMQ_RCVTIMEO, 300000, 4)
if (rc /= 0) then
stop 'Unable to set recv timeout in new_zmq_to_qp_run_socket'
endif
! rc = f77_zmq_setsockopt(new_zmq_to_qp_run_socket, ZMQ_SNDTIMEO, 300000, 4)
! if (rc /= 0) then
! stop 'Unable to set send timeout in new_zmq_to_qp_run_socket'
! endif
!
! rc = f77_zmq_setsockopt(new_zmq_to_qp_run_socket, ZMQ_RCVTIMEO, 300000, 4)
! if (rc /= 0) then
! stop 'Unable to set recv timeout in new_zmq_to_qp_run_socket'
! endif
rc = f77_zmq_connect(new_zmq_to_qp_run_socket, trim(qp_run_address)//':'//trim(zmq_port(0)))
if (rc /= 0) then
@ -250,20 +250,20 @@ IRP_ENDIF
stop 'Unable to create zmq pull socket'
endif
rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_LINGER,300000,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_LINGER on pull socket'
endif
! rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_LINGER,300000,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_LINGER on pull socket'
! endif
! rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVBUF,100000000,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_RCVBUF on pull socket'
! endif
rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,5,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_RCVHWM on pull socket'
endif
! rc = f77_zmq_setsockopt(new_zmq_pull_socket,ZMQ_RCVHWM,5,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_RCVHWM on pull socket'
! endif
integer :: icount
@ -332,15 +332,15 @@ IRP_ENDIF
stop 'Unable to create zmq push socket'
endif
rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_LINGER,300000,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_LINGER on push socket'
endif
rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDHWM,1,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_SNDHWM on push socket'
endif
! rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_LINGER,300000,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_LINGER on push socket'
! endif
!
! rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDHWM,1,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_SNDHWM on push socket'
! endif
! rc = f77_zmq_setsockopt(new_zmq_push_socket,ZMQ_SNDBUF,100000000,4)
! if (rc /= 0) then
@ -352,10 +352,10 @@ IRP_ENDIF
stop 'Unable to set ZMQ_IMMEDIATE on push socket'
endif
rc = f77_zmq_setsockopt(new_zmq_push_socket, ZMQ_SNDTIMEO, 300000, 4)
if (rc /= 0) then
stop 'Unable to set send timout in new_zmq_push_socket'
endif
! rc = f77_zmq_setsockopt(new_zmq_push_socket, ZMQ_SNDTIMEO, 300000, 4)
! if (rc /= 0) then
! stop 'Unable to set send timout in new_zmq_push_socket'
! endif
if (thread == 1) then
rc = f77_zmq_connect(new_zmq_push_socket, zmq_socket_push_inproc_address)
@ -488,10 +488,10 @@ subroutine end_zmq_push_socket(zmq_socket_push,thread)
integer :: rc
character*(8), external :: zmq_port
rc = f77_zmq_setsockopt(zmq_socket_push,ZMQ_LINGER,300000,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_LINGER on push socket'
endif
! rc = f77_zmq_setsockopt(zmq_socket_push,ZMQ_LINGER,300000,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_LINGER on push socket'
! endif
call omp_set_lock(zmq_lock)
rc = f77_zmq_close(zmq_socket_push)
@ -1019,10 +1019,10 @@ subroutine end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
character*(8), external :: zmq_port
integer :: rc
rc = f77_zmq_setsockopt(zmq_to_qp_run_socket,ZMQ_LINGER,300000,4)
if (rc /= 0) then
stop 'Unable to set ZMQ_LINGER on zmq_to_qp_run_socket'
endif
! rc = f77_zmq_setsockopt(zmq_to_qp_run_socket,ZMQ_LINGER,300000,4)
! if (rc /= 0) then
! stop 'Unable to set ZMQ_LINGER on zmq_to_qp_run_socket'
! endif
rc = f77_zmq_close(zmq_to_qp_run_socket)
if (rc /= 0) then
@ -1112,6 +1112,68 @@ integer function zmq_delete_tasks(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n
endif
end
integer function zmq_delete_tasks_async_send(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more)
use f77_zmq
implicit none
BEGIN_DOC
! When a task is done, it has to be removed from the list of tasks on the qp_run
! queue. This guarantees that the results have been received in the pull.
END_DOC
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
integer(ZMQ_PTR) :: zmq_socket_pull
integer, intent(in) :: n_tasks, task_id(n_tasks)
integer, intent(in) :: more
integer :: rc, k
character*(64) :: fmt, reply
character(LEN=:), allocatable :: message
zmq_delete_tasks_async_send = 0
allocate(character(LEN=64+n_tasks*12) :: message)
write(fmt,*) '(A,1X,A,1X,', n_tasks, '(I11,1X))'
write(message,*) 'del_task '//trim(zmq_state), (task_id(k), k=1,n_tasks)
rc = f77_zmq_send(zmq_to_qp_run_socket,trim(message),len(trim(message)),0)
if (rc /= len(trim(message))) then
zmq_delete_tasks_async_send = -1
deallocate(message)
return
endif
deallocate(message)
end
integer function zmq_delete_tasks_async_recv(zmq_to_qp_run_socket,zmq_socket_pull,task_id,n_tasks,more)
use f77_zmq
implicit none
BEGIN_DOC
! When a task is done, it has to be removed from the list of tasks on the qp_run
! queue. This guarantees that the results have been received in the pull.
END_DOC
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
integer(ZMQ_PTR) :: zmq_socket_pull
integer, intent(in) :: n_tasks, task_id(n_tasks)
integer, intent(out) :: more
integer :: rc
character*(64) :: reply
zmq_delete_tasks_async_recv = 0
reply = ''
rc = f77_zmq_recv(zmq_to_qp_run_socket,reply,64,0)
if (reply(16:19) == 'more') then
more = 1
else if (reply(16:19) == 'done') then
more = 0
else
zmq_delete_tasks_async_recv = -1
endif
end
subroutine wait_for_next_state(state)
use f77_zmq