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quantum_package/plugins/Full_CI_ZMQ/selection_slave.irp.f

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program selection_slave
implicit none
BEGIN_DOC
! Helper program to compute the PT2 in distributed mode.
END_DOC
read_wf = .False.
SOFT_TOUCH read_wf
call provide_everything
call switch_qp_run_to_master
call run_wf
end
subroutine provide_everything
PROVIDE H_apply_buffer_allocated mo_bielec_integrals_in_map psi_det_generators psi_coef_generators psi_det_sorted_bit psi_selectors n_det_generators n_states generators_bitmask zmq_context
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PROVIDE pt2_e0_denominator mo_tot_num N_int fragment_count
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end
subroutine run_wf
use f77_zmq
implicit none
integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket
integer(ZMQ_PTR) :: zmq_to_qp_run_socket
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double precision :: energy(N_states)
character*(64) :: states(1)
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integer :: rc, i
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call provide_everything
zmq_context = f77_zmq_ctx_new ()
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states(1) = 'selection'
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
do
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call wait_for_states(states,zmq_state,1)
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if(trim(zmq_state) == 'Stopped') then
exit
else if (trim(zmq_state) == 'selection') then
! Selection
! ---------
print *, 'Selection'
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call zmq_get_psi(zmq_to_qp_run_socket,1,energy,N_states)
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!$OMP PARALLEL PRIVATE(i)
i = omp_get_thread_num()
call selection_slave_tcp(i, energy)
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!$OMP END PARALLEL
print *, 'Selection done'
endif
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end do
end
subroutine selection_slave_tcp(i,energy)
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implicit none
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double precision, intent(in) :: energy(N_states)
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integer, intent(in) :: i
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call run_selection_slave(0,i,energy)
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end