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https://github.com/LCPQ/quantum_package
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Yann Garniron
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fb1fa1af38
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c525fddf44
168
plugins/Full_CI_ZMQ/run_pt2_slave.irp.f
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168
plugins/Full_CI_ZMQ/run_pt2_slave.irp.f
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subroutine run_pt2_slave(thread,iproc,energy)
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use f77_zmq
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use selection_types
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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, task_id(1), ctask, ltask
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character*(1000000) :: task
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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) :: buf, buf2
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logical :: done
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double precision :: pt2(N_states)
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double precision,allocatable :: pt2_detail(:,:)
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integer,allocatable :: index(:)
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integer :: Nindex
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allocate(pt2_detail(N_states, N_det), index(N_det))
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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zmq_socket_push = new_zmq_push_socket(thread)
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call connect_to_taskserver(zmq_to_qp_run_socket,worker_id,thread)
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if(worker_id == -1) then
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print *, "WORKER -1"
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_push_socket(zmq_socket_push,thread)
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return
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end if
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buf%N = 0
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ctask = 1
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pt2 = 0d0
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pt2_detail = 0d0
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do
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call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id(ctask), task)
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done = task_id(ctask) == 0
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if (done) then
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ctask = ctask - 1
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else
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integer :: i_generator, i_i_generator, N, subset
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read (task,*) Nindex
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read (task,*) Nindex, subset, index(:Nindex)
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!!!!!
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N=1
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!!!!!
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if(buf%N == 0) then
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! Only first time
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call create_selection_buffer(N, N*2, buf)
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call create_selection_buffer(N, N*3, buf2)
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else
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if(N /= buf%N) stop "N changed... wtf man??"
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end if
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do i_i_generator=1, Nindex
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i_generator = index(i_i_generator)
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call select_connected(i_generator,energy,pt2_detail(1, i_i_generator),buf,subset)
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pt2(:) += pt2_detail(:, i_generator)
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enddo
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endif
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if(done .or. ctask == size(task_id)) then
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if(buf%N == 0 .and. ctask > 0) stop "uninitialized selection_buffer"
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do i=1, ctask
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call task_done_to_taskserver(zmq_to_qp_run_socket,worker_id,task_id(i))
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end do
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if(ctask > 0) then
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call push_pt2_results(zmq_socket_push, Nindex, index, pt2_detail, task_id(1), ctask)
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!print *, "pushed ", index(:Nindex)
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do i=1,buf%cur
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call add_to_selection_buffer(buf2, buf%det(1,1,i), buf%val(i))
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enddo
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call sort_selection_buffer(buf2)
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buf%mini = buf2%mini
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pt2 = 0d0
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pt2_detail(:,:Nindex) = 0d0
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buf%cur = 0
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end if
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ctask = 0
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end if
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if(done) exit
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ctask = ctask + 1
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end do
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call disconnect_from_taskserver(zmq_to_qp_run_socket,zmq_socket_push,worker_id)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_push_socket(zmq_socket_push,thread)
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end subroutine
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subroutine push_pt2_results(zmq_socket_push, N, index, pt2_detail, task_id, ntask)
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use f77_zmq
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use selection_types
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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(in) :: pt2_detail(N_states, N_det)
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integer, intent(in) :: ntask, N, index(N), task_id(*)
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integer :: rc
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rc = f77_zmq_send( zmq_socket_push, N, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push"
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rc = f77_zmq_send( zmq_socket_push, index, 4*N, ZMQ_SNDMORE)
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if(rc /= 4*N) stop "push"
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rc = f77_zmq_send( zmq_socket_push, pt2_detail, 8*N_states*N, ZMQ_SNDMORE)
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if(rc /= 8*N_states*N) stop "push"
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rc = f77_zmq_send( zmq_socket_push, ntask, 4, ZMQ_SNDMORE)
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if(rc /= 4) stop "push"
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rc = f77_zmq_send( zmq_socket_push, task_id(1), ntask*4, 0)
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if(rc /= 4*ntask) stop "push"
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! Activate is zmq_socket_push is a REQ
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! rc = f77_zmq_recv( zmq_socket_push, task_id(1), ntask*4, 0)
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end subroutine
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subroutine pull_pt2_results(zmq_socket_pull, N, index, pt2_detail, task_id, ntask)
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use f77_zmq
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use selection_types
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implicit none
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integer(ZMQ_PTR), intent(in) :: zmq_socket_pull
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double precision, intent(inout) :: pt2_detail(N_states, N_det)
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integer, intent(out) :: index(N_det)
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integer, intent(out) :: N, ntask, task_id(*)
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integer :: rc, rn, i
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rc = f77_zmq_recv( zmq_socket_pull, N, 4, 0)
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if(rc /= 4) stop "pull"
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rc = f77_zmq_recv( zmq_socket_pull, index, 4*N, 0)
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if(rc /= 4*N) stop "pull"
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rc = f77_zmq_recv( zmq_socket_pull, pt2_detail, N_states*8*N, 0)
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if(rc /= 8*N_states*N) stop "pull"
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rc = f77_zmq_recv( zmq_socket_pull, ntask, 4, 0)
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if(rc /= 4) stop "pull"
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rc = f77_zmq_recv( zmq_socket_pull, task_id(1), ntask*4, 0)
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if(rc /= 4*ntask) stop "pull"
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! Activate is zmq_socket_pull is a REP
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! rc = f77_zmq_send( zmq_socket_pull, task_id(1), ntask*4, 0)
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end subroutine
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BEGIN_PROVIDER [ double precision, pt2_workload, (N_det) ]
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integer :: i
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do i=1,N_det
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pt2_workload(:) = dfloat(N_det - i + 1)**2
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end do
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pt2_workload = pt2_workload / sum(pt2_workload)
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END_PROVIDER
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