mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-07 22:53:52 +01:00
554 lines
15 KiB
Fortran
554 lines
15 KiB
Fortran
use omp_lib
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use selection_types
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use f77_zmq
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BEGIN_PROVIDER [ integer(omp_lock_kind), global_selection_buffer_lock ]
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use omp_lib
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implicit none
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BEGIN_DOC
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! Global buffer for the OpenMP selection
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END_DOC
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call omp_init_lock(global_selection_buffer_lock)
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END_PROVIDER
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BEGIN_PROVIDER [ type(selection_buffer), global_selection_buffer ]
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use omp_lib
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implicit none
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BEGIN_DOC
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! Global buffer for the OpenMP selection
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END_DOC
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call omp_set_lock(global_selection_buffer_lock)
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call delete_selection_buffer(global_selection_buffer)
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call create_selection_buffer(N_det_generators, 2*N_det_generators, &
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global_selection_buffer)
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call omp_unset_lock(global_selection_buffer_lock)
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END_PROVIDER
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subroutine run_pt2_slave(thread,iproc,energy)
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use selection_types
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use f77_zmq
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implicit none
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double precision, intent(in) :: energy(N_states_diag)
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integer, intent(in) :: thread, iproc
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call run_pt2_slave_large(thread,iproc,energy)
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! if (N_det > 100000 ) then
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! call run_pt2_slave_large(thread,iproc,energy)
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! else
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! call run_pt2_slave_small(thread,iproc,energy)
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! endif
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end
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subroutine run_pt2_slave_small(thread,iproc,energy)
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use selection_types
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use f77_zmq
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implicit none
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double precision, intent(in) :: energy(N_states_diag)
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integer, intent(in) :: thread, iproc
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integer :: rc, i
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integer :: worker_id, ctask, ltask
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character*(512), allocatable :: task(:)
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integer, allocatable :: task_id(:)
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integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
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integer(ZMQ_PTR) :: zmq_to_qp_run_socket
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integer(ZMQ_PTR), external :: new_zmq_push_socket
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integer(ZMQ_PTR) :: zmq_socket_push
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type(selection_buffer) :: b
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logical :: done, buffer_ready
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type(pt2_type), allocatable :: pt2_data(:)
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integer :: n_tasks, k, N
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integer, allocatable :: i_generator(:), subset(:)
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double precision, external :: memory_of_double, memory_of_int
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integer :: bsize ! Size of selection buffers
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! logical :: sending
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allocate(task_id(pt2_n_tasks_max), task(pt2_n_tasks_max))
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allocate(pt2_data(pt2_n_tasks_max), i_generator(pt2_n_tasks_max), subset(pt2_n_tasks_max))
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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integer, external :: connect_to_taskserver
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if (connect_to_taskserver(zmq_to_qp_run_socket,worker_id,thread) == -1) then
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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return
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endif
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zmq_socket_push = new_zmq_push_socket(thread)
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b%N = 0
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buffer_ready = .False.
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n_tasks = 1
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! sending = .False.
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done = .False.
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do while (.not.done)
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n_tasks = max(1,n_tasks)
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n_tasks = min(pt2_n_tasks_max,n_tasks)
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integer, external :: get_tasks_from_taskserver
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if (get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task, n_tasks) == -1) then
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exit
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endif
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done = task_id(n_tasks) == 0
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if (done) then
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n_tasks = n_tasks-1
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endif
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if (n_tasks == 0) exit
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do k=1,n_tasks
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call sscanf_ddd(task(k), subset(k), i_generator(k), N)
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enddo
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if (b%N == 0) then
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! Only first time
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bsize = min(N, (elec_alpha_num * (mo_num-elec_alpha_num))**2)
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call create_selection_buffer(bsize, bsize*2, b)
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buffer_ready = .True.
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else
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ASSERT (b%N == bsize)
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endif
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double precision :: time0, time1
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call wall_time(time0)
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do k=1,n_tasks
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call pt2_alloc(pt2_data(k),N_states)
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b%cur = 0
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!double precision :: time2
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!call wall_time(time2)
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call select_connected(i_generator(k),energy,pt2_data(k),b,subset(k),pt2_F(i_generator(k)))
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!call wall_time(time1)
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!print *, i_generator(1), time1-time2, n_tasks, pt2_F(i_generator(1))
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enddo
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call wall_time(time1)
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!print *, '-->', i_generator(1), time1-time0, n_tasks
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integer, external :: tasks_done_to_taskserver
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if (tasks_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id,n_tasks) == -1) then
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done = .true.
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endif
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call sort_selection_buffer(b)
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call push_pt2_results(zmq_socket_push, i_generator, pt2_data, b, task_id, n_tasks)
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do k=1,n_tasks
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call pt2_dealloc(pt2_data(k))
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enddo
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b%cur=0
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! ! Try to adjust n_tasks around nproc/2 seconds per job
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n_tasks = min(2*n_tasks,int( dble(n_tasks * nproc/2) / (time1 - time0 + 1.d0)))
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n_tasks = min(n_tasks, pt2_n_tasks_max)
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! n_tasks = 1
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end do
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integer, external :: disconnect_from_taskserver
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do i=1,300
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if (disconnect_from_taskserver(zmq_to_qp_run_socket,worker_id) /= -2) exit
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call usleep(500)
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print *, 'Retry disconnect...'
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end do
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call end_zmq_push_socket(zmq_socket_push,thread)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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if (buffer_ready) then
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call delete_selection_buffer(b)
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endif
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deallocate(pt2_data)
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end subroutine
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subroutine run_pt2_slave_large(thread,iproc,energy)
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use selection_types
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use f77_zmq
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implicit none
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double precision, intent(in) :: energy(N_states_diag)
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integer, intent(in) :: thread, iproc
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integer :: rc, i
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integer :: worker_id, ctask, ltask
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character*(512) :: task
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integer :: task_id(1)
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integer(ZMQ_PTR),external :: new_zmq_to_qp_run_socket
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integer(ZMQ_PTR) :: zmq_to_qp_run_socket
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integer(ZMQ_PTR), external :: new_zmq_push_socket
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integer(ZMQ_PTR) :: zmq_socket_push
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type(selection_buffer) :: b
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logical :: done, buffer_ready
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type(pt2_type) :: pt2_data
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integer :: n_tasks, k, N
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integer :: i_generator, subset
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integer :: ifirst
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integer :: bsize ! Size of selection buffers
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logical :: sending
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PROVIDE global_selection_buffer global_selection_buffer_lock
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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integer, external :: connect_to_taskserver
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if (connect_to_taskserver(zmq_to_qp_run_socket,worker_id,thread) == -1) then
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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return
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endif
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zmq_socket_push = new_zmq_push_socket(thread)
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ifirst = 0
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b%N = 0
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buffer_ready = .False.
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n_tasks = 1
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sending = .False.
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done = .False.
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do while (.not.done)
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integer, external :: get_tasks_from_taskserver
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if (get_tasks_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, task, n_tasks) == -1) then
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exit
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endif
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done = task_id(1) == 0
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if (done) then
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n_tasks = n_tasks-1
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endif
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if (n_tasks == 0) exit
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call sscanf_ddd(task, subset, i_generator, N)
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if( pt2_F(i_generator) <= 0 .or. pt2_F(i_generator) > N_det ) then
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print *, irp_here
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stop 'bug in selection'
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endif
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if (b%N == 0) then
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! Only first time
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bsize = min(N, (elec_alpha_num * (mo_num-elec_alpha_num))**2)
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call create_selection_buffer(bsize, bsize*2, b)
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buffer_ready = .True.
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else
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ASSERT (b%N == bsize)
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endif
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double precision :: time0, time1
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call wall_time(time0)
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call pt2_alloc(pt2_data,N_states)
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b%cur = 0
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call select_connected(i_generator,energy,pt2_data,b,subset,pt2_F(i_generator))
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call wall_time(time1)
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integer, external :: tasks_done_to_taskserver
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if (tasks_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id,n_tasks) == -1) then
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done = .true.
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endif
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call sort_selection_buffer(b)
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call push_pt2_results_async_recv(zmq_socket_push,b%mini,sending)
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call omp_set_lock(global_selection_buffer_lock)
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global_selection_buffer%mini = b%mini
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call merge_selection_buffers(b,global_selection_buffer)
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if (ifirst /= 0 ) then
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b%cur=0
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else
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ifirst = 1
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endif
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call omp_unset_lock(global_selection_buffer_lock)
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if ( iproc == 1 ) then
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call omp_set_lock(global_selection_buffer_lock)
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call push_pt2_results_async_send(zmq_socket_push, (/i_generator/), (/pt2_data/), global_selection_buffer, (/task_id/), 1,sending)
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global_selection_buffer%cur = 0
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call omp_unset_lock(global_selection_buffer_lock)
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else
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call push_pt2_results_async_send(zmq_socket_push, (/i_generator/), (/pt2_data/), b, (/task_id/), 1,sending)
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endif
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call pt2_dealloc(pt2_data)
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end do
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call push_pt2_results_async_recv(zmq_socket_push,b%mini,sending)
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integer, external :: disconnect_from_taskserver
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do i=1,300
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if (disconnect_from_taskserver(zmq_to_qp_run_socket,worker_id) /= -2) exit
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call sleep(1)
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print *, 'Retry disconnect...'
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end do
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call end_zmq_push_socket(zmq_socket_push,thread)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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if (buffer_ready) then
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call delete_selection_buffer(b)
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endif
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FREE global_selection_buffer
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end subroutine
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subroutine push_pt2_results(zmq_socket_push, index, pt2_data, b, task_id, n_tasks)
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use selection_types
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use f77_zmq
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implicit none
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integer(ZMQ_PTR), intent(in) :: zmq_socket_push
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type(pt2_type), intent(in) :: pt2_data(n_tasks)
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integer, intent(in) :: n_tasks, index(n_tasks), task_id(n_tasks)
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type(selection_buffer), intent(inout) :: b
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logical :: sending
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sending = .False.
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call push_pt2_results_async_send(zmq_socket_push, index, pt2_data, b, task_id, n_tasks, sending)
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call push_pt2_results_async_recv(zmq_socket_push, b%mini, sending)
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end subroutine
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subroutine push_pt2_results_async_send(zmq_socket_push, index, pt2_data, b, task_id, n_tasks, sending)
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use selection_types
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use f77_zmq
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implicit none
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integer(ZMQ_PTR), intent(in) :: zmq_socket_push
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type(pt2_type), intent(in) :: pt2_data(n_tasks)
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integer, intent(in) :: n_tasks, index(n_tasks), task_id(n_tasks)
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type(selection_buffer), intent(inout) :: b
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logical, intent(inout) :: sending
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integer :: rc, i
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integer*8 :: rc8
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double precision, allocatable :: pt2_serialized(:,:)
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if (sending) then
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print *, irp_here, ': sending is true'
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stop -1
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endif
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sending = .True.
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rc = f77_zmq_send( zmq_socket_push, n_tasks, 4, ZMQ_SNDMORE)
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if (rc == -1) then
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print *, irp_here, ': error sending result'
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stop 1
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return
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else if(rc /= 4) then
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stop 'push'
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endif
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rc = f77_zmq_send( zmq_socket_push, index, 4*n_tasks, ZMQ_SNDMORE)
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if (rc == -1) then
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print *, irp_here, ': error sending result'
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stop 2
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return
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else if(rc /= 4*n_tasks) then
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stop 'push'
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endif
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allocate(pt2_serialized (pt2_type_size(N_states),n_tasks) )
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do i=1,n_tasks
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call pt2_serialize(pt2_data(i),N_states,pt2_serialized(1,i))
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enddo
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rc = f77_zmq_send( zmq_socket_push, pt2_serialized, size(pt2_serialized)*8, ZMQ_SNDMORE)
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deallocate(pt2_serialized)
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if (rc == -1) then
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print *, irp_here, ': error sending result'
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stop 3
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return
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else if(rc /= size(pt2_serialized)*8) then
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stop 'push'
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endif
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rc = f77_zmq_send( zmq_socket_push, task_id, n_tasks*4, ZMQ_SNDMORE)
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if (rc == -1) then
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print *, irp_here, ': error sending result'
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stop 6
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return
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else if(rc /= 4*n_tasks) then
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stop 'push'
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endif
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if (b%cur == 0) then
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rc = f77_zmq_send( zmq_socket_push, b%cur, 4, 0)
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if (rc == -1) then
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print *, irp_here, ': error sending result'
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stop 7
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return
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else if(rc /= 4) then
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stop 'push'
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endif
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else
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rc = f77_zmq_send( zmq_socket_push, b%cur, 4, ZMQ_SNDMORE)
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if (rc == -1) then
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print *, irp_here, ': error sending result'
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stop 7
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return
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else if(rc /= 4) then
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stop 'push'
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endif
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rc8 = f77_zmq_send8( zmq_socket_push, b%val, 8_8*int(b%cur,8), ZMQ_SNDMORE)
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if (rc8 == -1_8) then
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print *, irp_here, ': error sending result'
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stop 8
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return
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else if(rc8 /= 8_8*int(b%cur,8)) then
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stop 'push'
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endif
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rc8 = f77_zmq_send8( zmq_socket_push, b%det, int(bit_kind*N_int*2,8)*int(b%cur,8), 0)
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if (rc8 == -1_8) then
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print *, irp_here, ': error sending result'
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stop 9
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return
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else if(rc8 /= int(N_int*2*8,8)*int(b%cur,8)) then
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stop 'push'
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endif
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endif
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end subroutine
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subroutine push_pt2_results_async_recv(zmq_socket_push,mini,sending)
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use selection_types
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use f77_zmq
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implicit none
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integer(ZMQ_PTR), intent(in) :: zmq_socket_push
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double precision, intent(out) :: mini
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logical, intent(inout) :: sending
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integer :: rc
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if (.not.sending) return
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! Activate is zmq_socket_push is a REQ
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IRP_IF ZMQ_PUSH
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IRP_ELSE
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character*(2) :: ok
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rc = f77_zmq_recv( zmq_socket_push, ok, 2, 0)
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if (rc == -1) then
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print *, irp_here, ': error sending result'
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stop 10
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return
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else if ((rc /= 2).and.(ok(1:2) /= 'ok')) then
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print *, irp_here//': error in receiving ok'
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stop -1
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endif
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rc = f77_zmq_recv( zmq_socket_push, mini, 8, 0)
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if (rc == -1) then
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print *, irp_here, ': error sending result'
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stop 11
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return
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else if (rc /= 8) then
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print *, irp_here//': error in receiving mini'
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stop 12
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endif
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IRP_ENDIF
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sending = .False.
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end subroutine
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subroutine pull_pt2_results(zmq_socket_pull, index, pt2_data, task_id, n_tasks, b)
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use selection_types
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use f77_zmq
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implicit none
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integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
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type(pt2_type), intent(inout) :: pt2_data(*)
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type(selection_buffer), intent(inout) :: b
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integer, intent(out) :: index(*)
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integer, intent(out) :: n_tasks, task_id(*)
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integer :: rc, rn, i
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integer*8 :: rc8
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double precision, allocatable :: pt2_serialized(:,:)
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rc = f77_zmq_recv( zmq_socket_pull, n_tasks, 4, 0)
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if (rc == -1) then
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n_tasks = 1
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task_id(1) = 0
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else if(rc /= 4) then
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stop 'pull'
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endif
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rc = f77_zmq_recv( zmq_socket_pull, index, 4*n_tasks, 0)
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if (rc == -1) then
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n_tasks = 1
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task_id(1) = 0
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else if(rc /= 4*n_tasks) then
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stop 'pull'
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endif
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allocate(pt2_serialized (pt2_type_size(N_states),n_tasks) )
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rc = f77_zmq_recv( zmq_socket_pull, pt2_serialized, 8*size(pt2_serialized)*n_tasks, 0)
|
|
if (rc == -1) then
|
|
n_tasks = 1
|
|
task_id(1) = 0
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|
else if(rc /= 8*size(pt2_serialized)) then
|
|
stop 'pull'
|
|
endif
|
|
|
|
do i=1,n_tasks
|
|
call pt2_deserialize(pt2_data(i),N_states,pt2_serialized(1,i))
|
|
enddo
|
|
deallocate(pt2_serialized)
|
|
|
|
rc = f77_zmq_recv( zmq_socket_pull, task_id, n_tasks*4, 0)
|
|
if (rc == -1) then
|
|
n_tasks = 1
|
|
task_id(1) = 0
|
|
else if(rc /= 4*n_tasks) then
|
|
stop 'pull'
|
|
endif
|
|
|
|
rc = f77_zmq_recv( zmq_socket_pull, b%cur, 4, 0)
|
|
if (rc == -1) then
|
|
n_tasks = 1
|
|
task_id(1) = 0
|
|
else if(rc /= 4) then
|
|
stop 'pull'
|
|
endif
|
|
|
|
if (b%cur > 0) then
|
|
|
|
rc8 = f77_zmq_recv8( zmq_socket_pull, b%val, 8_8*int(b%cur,8), 0)
|
|
if (rc8 == -1_8) then
|
|
n_tasks = 1
|
|
task_id(1) = 0
|
|
else if(rc8 /= 8_8*int(b%cur,8)) then
|
|
stop 'pull'
|
|
endif
|
|
|
|
rc8 = f77_zmq_recv8( zmq_socket_pull, b%det, int(bit_kind*N_int*2,8)*int(b%cur,8), 0)
|
|
if (rc8 == -1_8) then
|
|
n_tasks = 1
|
|
task_id(1) = 0
|
|
else if(rc8 /= int(N_int*2*8,8)*int(b%cur,8)) then
|
|
stop 'pull'
|
|
endif
|
|
|
|
endif
|
|
|
|
! Activate is zmq_socket_pull is a REP
|
|
IRP_IF ZMQ_PUSH
|
|
IRP_ELSE
|
|
rc = f77_zmq_send( zmq_socket_pull, 'ok', 2, ZMQ_SNDMORE)
|
|
if (rc == -1) then
|
|
n_tasks = 1
|
|
task_id(1) = 0
|
|
else if (rc /= 2) then
|
|
print *, irp_here//': error in sending ok'
|
|
stop -1
|
|
endif
|
|
rc = f77_zmq_send( zmq_socket_pull, b%mini, 8, 0)
|
|
IRP_ENDIF
|
|
|
|
end subroutine
|
|
|