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https://github.com/LCPQ/quantum_package
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timeouts
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@ -70,7 +70,7 @@ program fci_zmq
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if (do_pt2) then
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if (do_pt2) then
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pt2 = 0.d0
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pt2 = 0.d0
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threshold_selectors = 1.d0
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threshold_selectors = 1.d0
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threshold_generators = 1d0
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threshold_generators = 1.d0
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SOFT_TOUCH threshold_selectors threshold_generators
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SOFT_TOUCH threshold_selectors threshold_generators
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call ZMQ_pt2(CI_energy, pt2,relative_error,absolute_error,error) ! Stochastic PT2
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call ZMQ_pt2(CI_energy, pt2,relative_error,absolute_error,error) ! Stochastic PT2
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threshold_selectors = threshold_selectors_save
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threshold_selectors = threshold_selectors_save
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@ -87,9 +87,11 @@ subroutine run_pt2_slave(thread,iproc,energy)
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end do
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end do
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integer, external :: disconnect_from_taskserver
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integer, external :: disconnect_from_taskserver
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if (disconnect_from_taskserver(zmq_to_qp_run_socket,worker_id) == -1) then
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do i=1,300
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continue
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if (disconnect_from_taskserver(zmq_to_qp_run_socket,worker_id) /= -2) exit
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endif
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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_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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call end_zmq_to_qp_run_socket(zmq_to_qp_run_socket)
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@ -13,7 +13,7 @@ BEGIN_PROVIDER [ integer, N_det_generators ]
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N_det_generators = N_det
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N_det_generators = N_det
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do i=1,N_det
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do i=1,N_det
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norm = norm + psi_average_norm_contrib_sorted(i)
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norm = norm + psi_average_norm_contrib_sorted(i)
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if (norm >= threshold_generators) then
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if (norm > threshold_generators) then
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N_det_generators = i
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N_det_generators = i
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exit
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exit
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endif
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endif
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@ -601,7 +601,7 @@ subroutine end_parallel_job(zmq_to_qp_run_socket,zmq_socket_pull,name_in)
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stop 'Wrong end of job'
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stop 'Wrong end of job'
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endif
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endif
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do i=300,1,-1
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do i=3600,1,-1
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rc = f77_zmq_send(zmq_to_qp_run_socket, 'end_job '//trim(zmq_state),8+len(trim(zmq_state)),0)
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rc = f77_zmq_send(zmq_to_qp_run_socket, 'end_job '//trim(zmq_state),8+len(trim(zmq_state)),0)
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rc = f77_zmq_recv(zmq_to_qp_run_socket, message, 512, 0)
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rc = f77_zmq_recv(zmq_to_qp_run_socket, message, 512, 0)
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if (trim(message(1:13)) == 'error waiting') then
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if (trim(message(1:13)) == 'error waiting') then
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@ -612,6 +612,7 @@ subroutine end_parallel_job(zmq_to_qp_run_socket,zmq_socket_pull,name_in)
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endif
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endif
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end do
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end do
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if (i==0) then
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if (i==0) then
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print *, '.. Forcing kill ..'
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rc = f77_zmq_send(zmq_to_qp_run_socket, 'end_job force',13,0)
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rc = f77_zmq_send(zmq_to_qp_run_socket, 'end_job force',13,0)
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rc = f77_zmq_recv(zmq_to_qp_run_socket, message, 512, 0)
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rc = f77_zmq_recv(zmq_to_qp_run_socket, message, 512, 0)
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endif
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endif
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@ -718,7 +719,7 @@ integer function disconnect_from_taskserver_state(zmq_to_qp_run_socket, worker_i
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rc = f77_zmq_send(zmq_to_qp_run_socket, trim(message), sze, 0)
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rc = f77_zmq_send(zmq_to_qp_run_socket, trim(message), sze, 0)
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if (rc /= sze) then
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if (rc /= sze) then
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disconnect_from_taskserver_state = -1
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disconnect_from_taskserver_state = -2
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return
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return
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endif
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endif
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@ -727,7 +728,6 @@ integer function disconnect_from_taskserver_state(zmq_to_qp_run_socket, worker_i
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read(message,*, end=10, err=10) reply, state
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read(message,*, end=10, err=10) reply, state
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if ((trim(reply) == 'disconnect_reply').and.(trim(state) == trim(zmq_state))) then
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if ((trim(reply) == 'disconnect_reply').and.(trim(state) == trim(zmq_state))) then
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disconnect_from_taskserver_state = -1
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return
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return
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endif
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endif
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if (trim(message) == 'error Wrong state') then
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if (trim(message) == 'error Wrong state') then
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