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https://github.com/LCPQ/quantum_package
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Bugs
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@ -62,9 +62,9 @@ subroutine selection_slaved(thread,iproc)
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!print *, "psi_selectors_coef ", psi_selectors_coef(N_det_selectors-5:N_det_selectors, 1)
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!call debug_det(psi_selectors(1,1,N_det_selectors), N_int)
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call select_connected(i_generator,ci_electronic_energy,pt2,buf)
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end if
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if(done) ctask = ctask - 1
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else
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ctask = ctask - 1
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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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@ -77,7 +77,6 @@ subroutine selection_slaved(thread,iproc)
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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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@ -31,17 +31,14 @@ subroutine run_wf
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call provide_everything
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zmq_context = f77_zmq_ctx_new ()
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zmq_state = 'selection'
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state = 'Waiting'
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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do
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call wait_for_state("selection", zmq_state)
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if(trim(zmq_state) /= "selection") exit
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if(oki < 0) then
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oki += 1
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cycle
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end if
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oki = 0
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call wait_for_state(zmq_state,state)
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if(trim(state) /= 'selection') exit
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print *, 'Getting wave function'
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call zmq_get_psi(zmq_to_qp_run_socket,1,energy,size(energy))
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integer :: j,k
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@ -59,7 +56,6 @@ subroutine run_wf
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endif
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call write_double(6,ci_energy,'Energy')
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!zmq_state = 'selection'
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integer :: rc, i
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@ -872,8 +872,8 @@ subroutine wait_for_state(state_wait,state)
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integer :: rc
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zmq_socket_sub = new_zmq_sub_socket()
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state = "Waiting"
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do while (trim(state) /= trim(state_wait) .and. trim(state) /= "Stopped")
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state = 'Waiting'
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do while (trim(state) /= trim(state_wait) .and. trim(state) /= 'Stopped')
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rc = f77_zmq_recv( zmq_socket_sub, state, 64, 0)
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if (rc > 0) then
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state = trim(state(1:rc))
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@ -881,6 +881,7 @@ subroutine wait_for_state(state_wait,state)
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print *, 'Timeout reached. Stopping'
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state = "Stopped"
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endif
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print *, '|'//trim(state(1:rc))//'|'//trim(state_wait)//'|'
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end do
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call end_zmq_sub_socket(zmq_socket_sub)
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end
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