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https://github.com/LCPQ/quantum_package
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140 lines
3.9 KiB
Fortran
140 lines
3.9 KiB
Fortran
subroutine ZMQ_selection(N_in, pt2)
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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) :: zmq_to_qp_run_socket
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integer, intent(in) :: N_in
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type(selection_buffer) :: b
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integer :: i, N
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integer, external :: omp_get_thread_num
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double precision, intent(out) :: pt2(N_states)
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integer, parameter :: maxtasks=10000
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PROVIDE fragment_count
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N = max(N_in,1)
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if (.True.) then
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PROVIDE pt2_e0_denominator nproc
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PROVIDE psi_bilinear_matrix_columns_loc psi_det_alpha_unique psi_det_beta_unique
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PROVIDE psi_bilinear_matrix_rows psi_det_sorted_order psi_bilinear_matrix_order
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PROVIDE psi_bilinear_matrix_transp_rows_loc psi_bilinear_matrix_transp_columns
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PROVIDE psi_bilinear_matrix_transp_order
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call new_parallel_job(zmq_to_qp_run_socket,"selection")
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call zmq_put_psi(zmq_to_qp_run_socket,1)
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call zmq_put_dvector(zmq_to_qp_run_socket,1,'energy',pt2_e0_denominator,size(pt2_e0_denominator))
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call create_selection_buffer(N, N*2, b)
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endif
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character*(20*maxtasks) :: task
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task = ' '
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integer :: k
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k=0
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do i= 1, N_det_generators
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k = k+1
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write(task(20*(k-1)+1:20*k),'(I9,1X,I9,''|'')') i, N
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if (k>=maxtasks) then
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k=0
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call add_task_to_taskserver(zmq_to_qp_run_socket,task)
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endif
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end do
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if (k > 0) then
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call add_task_to_taskserver(zmq_to_qp_run_socket,task)
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endif
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call zmq_set_running(zmq_to_qp_run_socket)
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ASSERT (allocated(b%det))
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ASSERT (allocated(b%val))
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!$OMP PARALLEL DEFAULT(shared) SHARED(b, pt2) PRIVATE(i) NUM_THREADS(nproc+1)
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i = omp_get_thread_num()
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if (i==0) then
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call selection_collector(b, N, pt2)
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else
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call selection_slave_inproc(i)
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endif
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!$OMP END PARALLEL
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call end_parallel_job(zmq_to_qp_run_socket, 'selection')
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do i=N_det+1,N_states
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pt2(i) = 0.d0
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enddo
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if (N_in > 0) then
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call fill_H_apply_buffer_no_selection(b%cur,b%det,N_int,0)
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call copy_H_apply_buffer_to_wf()
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if (s2_eig) then
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call make_s2_eigenfunction
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endif
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call save_wavefunction
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endif
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call delete_selection_buffer(b)
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end subroutine
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subroutine selection_slave_inproc(i)
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implicit none
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integer, intent(in) :: i
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call run_selection_slave(1,i,pt2_e0_denominator)
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end
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subroutine selection_collector(b, N, pt2)
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use f77_zmq
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use selection_types
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use bitmasks
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implicit none
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type(selection_buffer), intent(inout) :: b
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integer, intent(in) :: N
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double precision, intent(out) :: pt2(N_states)
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double precision :: pt2_mwen(N_states)
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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_pull_socket
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integer(ZMQ_PTR) :: zmq_socket_pull
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integer :: msg_size, rc, more
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integer :: acc, i, j, robin, ntask
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double precision, pointer :: val(:)
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integer(bit_kind), pointer :: det(:,:,:)
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integer, allocatable :: task_id(:)
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type(selection_buffer) :: b2
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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zmq_socket_pull = new_zmq_pull_socket()
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call create_selection_buffer(N, N*2, b2)
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allocate(task_id(N_det_generators))
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more = 1
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pt2(:) = 0d0
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pt2_mwen(:) = 0.d0
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do while (more == 1)
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call pull_selection_results(zmq_socket_pull, pt2_mwen, b2%val(1), b2%det(1,1,1), b2%cur, task_id, ntask)
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pt2(:) += pt2_mwen(:)
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do i=1, b2%cur
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call add_to_selection_buffer(b, b2%det(1,1,i), b2%val(i))
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if (b2%val(i) > b%mini) exit
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end do
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do i=1, ntask
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if(task_id(i) == 0) then
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print *, "Error in collector"
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endif
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call zmq_delete_task(zmq_to_qp_run_socket,zmq_socket_pull,task_id(i),more)
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end do
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end do
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call delete_selection_buffer(b2)
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call sort_selection_buffer(b)
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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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call end_zmq_pull_socket(zmq_socket_pull)
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end subroutine
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