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Packed tasks for PT2 stoch

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This commit is contained in:
Anthony Scemama 2017-11-27 19:44:29 +01:00
parent fa7505ceca
commit a9aeda4958
6 changed files with 123 additions and 136 deletions
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2
config/gfortran_debug.cfg
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@ -13,7 +13,7 @@
FC : gfortran -g -ffree-line-length-none -I .
LAPACK_LIB : -lblas -llapack
IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 --assert
IRPF90_FLAGS : --ninja --align=32 --assert
# Global options
################

4
ocaml/TaskServer.ml
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@ -427,7 +427,7 @@ let get_tasks msg program_state rep_socket pair_socket =
and success () =
let rec build_list accu queue = function
| 0 -> queue, accu
| 0 -> queue, (List.rev accu)
| n ->
let new_queue, task_id, task =
Queuing_system.pop_task ~client_id queue
@ -435,7 +435,7 @@ let get_tasks msg program_state rep_socket pair_socket =
match (task_id, task) with
| Some task_id, Some task ->
build_list ( (Some task_id, task)::accu ) new_queue (n-1)
| _ -> queue, (None, "terminate")::accu
| _ -> build_list ( (None, "terminate")::accu ) queue 0
in
let new_queue, result =

33
plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f
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@ -188,25 +188,26 @@ subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove,
integer(ZMQ_PTR) :: zmq_socket_pull
integer :: msg_size, rc, more
integer :: acc, i, j, robin, N, ntask
integer :: acc, i, j, robin, N, n_tasks
double precision, allocatable :: val(:)
integer(bit_kind), allocatable :: det(:,:,:)
integer, allocatable :: task_id(:)
integer :: Nindex
integer, allocatable :: index(:)
double precision :: time0
double precision :: time, timeLast, Nabove_old
double precision, external :: omp_get_wtime
integer :: tooth, firstTBDcomb, orgTBDcomb
integer :: tooth, firstTBDcomb, orgTBDcomb, n_tasks_max
integer, allocatable :: parts_to_get(:)
logical, allocatable :: actually_computed(:)
double precision :: eqt
character*(512) :: task
Nabove_old = -1.d0
n_tasks_max = N_det_generators/100+1
allocate(actually_computed(N_det_generators), parts_to_get(N_det_generators), &
pt2_mwen(N_states, N_det_generators) )
pt2_mwen(1:N_states, 1:N_det_generators) =0.d0
pt2_mwen(N_states, n_tasks_max) )
pt2_mwen(1:N_states, 1:n_tasks_max) = 0.d0
do i=1,N_det_generators
actually_computed(i) = computed(i)
enddo
@ -227,7 +228,7 @@ subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove,
zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
zmq_socket_pull = new_zmq_pull_socket()
allocate(val(b%N), det(N_int, 2, b%N), task_id(N_det_generators), index(1))
allocate(val(b%N), det(N_int, 2, b%N), task_id(n_tasks_max), index(n_tasks_max))
more = 1
call wall_time(time0)
timeLast = time0
@ -235,26 +236,28 @@ subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove,
call get_first_tooth(actually_computed, tooth)
Nabove_old = Nabove(tooth)
pullLoop : do while (more == 1)
logical :: loop
loop = .True.
pullLoop : do while (loop)
call pull_pt2_results(zmq_socket_pull, Nindex, index, pt2_mwen, task_id, ntask)
do i=1,Nindex
call pull_pt2_results(zmq_socket_pull, index, pt2_mwen, task_id, n_tasks)
do i=1,n_tasks
pt2_detail(1:N_states, index(i)) += pt2_mwen(1:N_states,i)
parts_to_get(index(i)) -= 1
if(parts_to_get(index(i)) < 0) then
print *, i, index(i), parts_to_get(index(i)), Nindex
print *, i, index(i), parts_to_get(index(i))
print *, "PARTS ??"
print *, parts_to_get
stop "PARTS ??"
end if
if(parts_to_get(index(i)) == 0) actually_computed(index(i)) = .true.
end do
enddo
do i=1, ntask
if(task_id(i) == 0) then
print *, "Error in collector"
endif
do i=1, n_tasks
call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id(i),more)
if (more /= 1) then
loop = .False.
endif
end do
time = omp_get_wtime()

134
plugins/Full_CI_ZMQ/run_pt2_slave.irp.f
View File

@ -8,8 +8,9 @@ subroutine run_pt2_slave(thread,iproc,energy)
integer, intent(in) :: thread, iproc
integer :: rc, i
integer :: worker_id, task_id(1), ctask, ltask
character*(512) :: task
integer :: worker_id, ctask, ltask
character*(512), allocatable :: task(:)
integer, allocatable :: task_id(:)
integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
integer(ZMQ_PTR) :: zmq_to_qp_run_socket
@ -20,102 +21,78 @@ subroutine run_pt2_slave(thread,iproc,energy)
type(selection_buffer) :: buf
logical :: done
double precision :: pt2(N_states)
double precision,allocatable :: pt2_detail(:,:)
integer :: index
integer :: Nindex
logical :: buffer_ready
double precision,allocatable :: pt2(:,:)
integer :: n_tasks, k, n_tasks_max
integer, allocatable :: i_generator(:), subset(:)
allocate(pt2_detail(N_states, N_det_generators))
n_tasks_max = N_det_generators/100+1
allocate(task_id(n_tasks_max), task(n_tasks_max))
allocate(pt2(N_states,n_tasks_max), i_generator(n_tasks_max), subset(n_tasks_max))
zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
zmq_socket_push = new_zmq_push_socket(thread)
call connect_to_taskserver(zmq_to_qp_run_socket,worker_id,thread)
if(worker_id == -1) then
print *, 'WORKER -1'
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
call end_zmq_push_socket(zmq_socket_push,thread)
return
end if
buf%N = 0
ctask = 1
Nindex=1
pt2 = 0d0
pt2_detail = 0d0
buffer_ready = .False.
do
call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id(ctask), task)
n_tasks = 1
call create_selection_buffer(1, 2, buf)
done = task_id(ctask) == 0
if (done) then
ctask = ctask - 1
else
integer :: i_generator, i_i_generator, subset
read (task,*) subset, index
if(buf%N == 0) then
! Only first time
call create_selection_buffer(1, 2, buf)
buffer_ready = .True.
end if
do i_i_generator=1, Nindex
i_generator = index
call select_connected(i_generator,energy,pt2_detail(1, i_i_generator),buf,subset)
pt2(:) += pt2_detail(:, i_generator)
enddo
endif
done = .False.
do while (.not.done)
if(done .or. (ctask == size(task_id)) ) then
if(buf%N == 0 .and. ctask > 0) stop 'uninitialized selection_buffer'
do i=1, ctask
call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id(i))
end do
if(ctask > 0) then
call push_pt2_results(zmq_socket_push, Nindex, index, pt2_detail, task_id(1), ctask)
pt2 = 0d0
pt2_detail(:,:Nindex) = 0d0
n_tasks = min(n_tasks+1,n_tasks_max)
call get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task, n_tasks)
done = task_id(n_tasks) == 0
if (done) n_tasks = n_tasks-1
do k=1,n_tasks
read (task(k),*) subset(k), i_generator(k)
enddo
do k=1,n_tasks
pt2(:,k) = 0.d0
buf%cur = 0
end if
ctask = 0
end if
if(done) exit
ctask = ctask + 1
call select_connected(i_generator(k),energy,pt2(1,k),buf,subset(k))
enddo
do k=1,n_tasks
call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id(k))
enddo
call push_pt2_results(zmq_socket_push, i_generator, pt2, task_id, n_tasks)
end do
call disconnect_from_taskserver(zmq_to_qp_run_socket,zmq_socket_push,worker_id)
call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
call end_zmq_push_socket(zmq_socket_push,thread)
if (buffer_ready) then
call delete_selection_buffer(buf)
endif
call delete_selection_buffer(buf)
end subroutine
subroutine push_pt2_results(zmq_socket_push, N, index, pt2_detail, task_id, ntask)
subroutine push_pt2_results(zmq_socket_push, index, pt2, task_id, n_tasks)
use f77_zmq
use selection_types
implicit none
integer(ZMQ_PTR), intent(in) :: zmq_socket_push
double precision, intent(in) :: pt2_detail(N_states, N_det_generators)
integer, intent(in) :: ntask, N, index, task_id(*)
double precision, intent(in) :: pt2(N_states,n_tasks)
integer, intent(in) :: n_tasks, index(n_tasks), task_id(n_tasks)
integer :: rc
rc = f77_zmq_send( zmq_socket_push, N, 4, ZMQ_SNDMORE)
rc = f77_zmq_send( zmq_socket_push, n_tasks, 4, ZMQ_SNDMORE)
if(rc /= 4) stop 'push'
rc = f77_zmq_send( zmq_socket_push, index, 4, ZMQ_SNDMORE)
if(rc /= 4*N) stop 'push'
rc = f77_zmq_send( zmq_socket_push, index, 4*n_tasks, ZMQ_SNDMORE)
if(rc /= 4*n_tasks) stop 'push'
rc = f77_zmq_send( zmq_socket_push, pt2_detail, 8*N_states*N, ZMQ_SNDMORE)
if(rc /= 8*N_states*N) stop 'push'
rc = f77_zmq_send( zmq_socket_push, pt2, 8*N_states*n_tasks, ZMQ_SNDMORE)
if(rc /= 8*N_states*n_tasks) stop 'push'
rc = f77_zmq_send( zmq_socket_push, ntask, 4, ZMQ_SNDMORE)
if(rc /= 4) stop 'push'
rc = f77_zmq_send( zmq_socket_push, task_id, ntask*4, 0)
if(rc /= 4*ntask) stop 'push'
rc = f77_zmq_send( zmq_socket_push, task_id, n_tasks*4, 0)
if(rc /= 4*n_tasks) stop 'push'
! Activate is zmq_socket_push is a REQ
IRP_IF ZMQ_PUSH
@ -131,30 +108,27 @@ IRP_ENDIF
end subroutine
subroutine pull_pt2_results(zmq_socket_pull, N, index, pt2_detail, task_id, ntask)
subroutine pull_pt2_results(zmq_socket_pull, index, pt2, task_id, n_tasks)
use f77_zmq
use selection_types
implicit none
integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
double precision, intent(inout) :: pt2_detail(N_states, N_det_generators)
integer, intent(out) :: index
integer, intent(out) :: N, ntask, task_id(*)
double precision, intent(inout) :: pt2(N_states,*)
integer, intent(out) :: index(*)
integer, intent(out) :: n_tasks, task_id(*)
integer :: rc, rn, i
rc = f77_zmq_recv( zmq_socket_pull, N, 4, 0)
rc = f77_zmq_recv( zmq_socket_pull, n_tasks, 4, 0)
if(rc /= 4) stop 'pull'
rc = f77_zmq_recv( zmq_socket_pull, index, 4, 0)
if(rc /= 4*N) stop 'pull'
rc = f77_zmq_recv( zmq_socket_pull, index, 4*n_tasks, 0)
if(rc /= 4*n_tasks) stop 'pull'
rc = f77_zmq_recv( zmq_socket_pull, pt2_detail, N_states*8*N, 0)
if(rc /= 8*N_states*N) stop 'pull'
rc = f77_zmq_recv( zmq_socket_pull, pt2, N_states*8*n_tasks, 0)
if(rc /= 8*N_states*n_tasks) stop 'pull'
rc = f77_zmq_recv( zmq_socket_pull, ntask, 4, 0)
if(rc /= 4) stop 'pull'
rc = f77_zmq_recv( zmq_socket_pull, task_id, ntask*4, 0)
if(rc /= 4*ntask) stop 'pull'
rc = f77_zmq_recv( zmq_socket_pull, task_id, n_tasks*4, 0)
if(rc /= 4*n_tasks) stop 'pull'
! Activate is zmq_socket_pull is a REP
IRP_IF ZMQ_PUSH

1
plugins/Full_CI_ZMQ/selection.irp.f
View File

@ -6,6 +6,7 @@ BEGIN_PROVIDER [ integer, fragment_count ]
! Number of fragments for the deterministic part
END_DOC
fragment_count = (elec_alpha_num-n_core_orb)**2
! fragment_count = mo_tot_num*mo_tot_num
END_PROVIDER

85
src/ZMQ/utils.irp.f
View File

@ -679,6 +679,10 @@ subroutine disconnect_from_taskserver(zmq_to_qp_run_socket, &
sze = len(trim(message))
rc = f77_zmq_send(zmq_to_qp_run_socket, trim(message), sze, 0)
if (rc == -1) then
return
endif
if (rc /= sze) then
print *, rc, sze
print *, irp_here, 'f77_zmq_send(zmq_to_qp_run_socket, trim(message), sze, 0)'
@ -849,42 +853,41 @@ subroutine get_task_from_taskserver(zmq_to_qp_run_socket,worker_id,task_id,task)
character*(64) :: reply
integer :: rc, sze
call get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id,task_id,task,1)
! write(message,*) 'get_task '//trim(zmq_state), worker_id
!
! sze = len(trim(message))
! rc = f77_zmq_send(zmq_to_qp_run_socket, message, sze, 0)
! if (rc /= sze) then
! print *, irp_here, ':f77_zmq_send(zmq_to_qp_run_socket, trim(message), sze, 0)'
! stop 'error'
! endif
!
! message = repeat(' ',512)
! rc = f77_zmq_recv(zmq_to_qp_run_socket, message, 1024, 0)
! rc = min(1024,rc)
! read(message(1:rc),*) reply
! if (trim(reply) == 'get_task_reply') then
! read(message(1:rc),*) reply, task_id
! rc = 15
! do while (message(rc:rc) == ' ')
! rc += 1
! enddo
! do while (message(rc:rc) /= ' ')
! rc += 1
! enddo
! rc += 1
! task = message(rc:)
! else if (trim(reply) == 'terminate') then
! task_id = 0
! task = 'terminate'
! else if (trim(message) == 'error No job is running') then
! task_id = 0
! task = 'terminate'
! else
! print *, 'Unable to get the next task'
! print *, trim(message)
! stop -1
! endif
write(message,*) 'get_task '//trim(zmq_state), worker_id
sze = len(trim(message))
rc = f77_zmq_send(zmq_to_qp_run_socket, message, sze, 0)
if (rc /= sze) then
print *, irp_here, ':f77_zmq_send(zmq_to_qp_run_socket, trim(message), sze, 0)'
stop 'error'
endif
message = repeat(' ',512)
rc = f77_zmq_recv(zmq_to_qp_run_socket, message, 1024, 0)
rc = min(1024,rc)
read(message(1:rc),*) reply
if (trim(reply) == 'get_task_reply') then
read(message(1:rc),*) reply, task_id
rc = 15
do while (message(rc:rc) == ' ')
rc += 1
enddo
do while (message(rc:rc) /= ' ')
rc += 1
enddo
rc += 1
task = message(rc:)
else if (trim(reply) == 'terminate') then
task_id = 0
task = 'terminate'
else if (trim(message) == 'error No job is running') then
task_id = 0
task = 'terminate'
else
print *, 'Unable to get the next task'
print *, trim(message)
stop -1
endif
end
@ -897,7 +900,7 @@ subroutine get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id,task_id,task
END_DOC
integer(ZMQ_PTR), intent(in) :: zmq_to_qp_run_socket
integer, intent(in) :: worker_id
integer, intent(in) :: n_tasks
integer, intent(inout) :: n_tasks
integer, intent(out) :: task_id(n_tasks)
character*(512), intent(out) :: task(n_tasks)
@ -931,12 +934,18 @@ subroutine get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id,task_id,task
print *, ':'//trim(message)//':'
stop -1
endif
task(:) = repeat(' ',512)
do i=1,n_tasks
message = repeat(' ',512)
rc = f77_zmq_recv(zmq_to_qp_run_socket, message, 1024, 0)
rc = min(1024,rc)
read(message(1:rc),*) task_id(i)
if (task_id(i) == 0) then
task(i) = 'terminate'
n_tasks = i
exit
endif
rc = 1
do while (message(rc:rc) == ' ')
rc += 1