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https://github.com/LCPQ/quantum_package
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Bug
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@ -21,8 +21,8 @@ program fci_zmq
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threshold_davidson = threshold_davidson_in * 100.d0
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threshold_davidson = threshold_davidson_in * 100.d0
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SOFT_TOUCH threshold_davidson
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SOFT_TOUCH threshold_davidson
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! call diagonalize_CI
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call diagonalize_CI
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! call save_wavefunction
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call save_wavefunction
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call ezfio_has_hartree_fock_energy(has)
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call ezfio_has_hartree_fock_energy(has)
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if (has) then
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if (has) then
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@ -124,7 +124,6 @@ subroutine davidson_slave_work(zmq_to_qp_run_socket, zmq_socket_push, N_st, sze,
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do
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do
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integer, external :: get_task_from_taskserver
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integer, external :: get_task_from_taskserver
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integer, external :: task_done_to_taskserver
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integer, external :: task_done_to_taskserver
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call sleep(1)
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if (get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, msg) == -1) then
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if (get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id, msg) == -1) then
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exit
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exit
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endif
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endif
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@ -356,14 +355,13 @@ subroutine H_S2_u_0_nstates_zmq(v_0,s_0,u_0,N_st,sze)
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! ============
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! ============
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integer :: istep, imin, imax, ishift
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integer :: istep, imin, imax, ishift
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double precision :: w, max_workload, N_det_inv, di
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double precision :: w, max_workload, N_det_inv
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integer, external :: add_task_to_taskserver
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integer, external :: add_task_to_taskserver
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w = 0.d0
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w = 0.d0
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istep=1
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istep=1
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ishift=0
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ishift=0
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imin=1
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imin=1
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N_det_inv = 1.d0/dble(N_det)
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N_det_inv = 1.d0/dble(N_det)
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di = dble(N_det)
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max_workload = 50000.d0
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max_workload = 50000.d0
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do imax=1,N_det
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do imax=1,N_det
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w = w + 1.d0
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w = w + 1.d0
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@ -224,7 +224,7 @@ integer function zmq_put8_dvector(zmq_to_qp_run_socket, worker_id, name, x, size
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rc = f77_zmq_send8(zmq_to_qp_run_socket,x,size_x*8_8,0)
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rc = f77_zmq_send8(zmq_to_qp_run_socket,x,size_x*8_8,0)
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if (rc /= size_x*8_8) then
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if (rc /= size_x*8_8) then
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print *, 'Failed in send ', rc, size_x*8, size_x, N_det
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print *, 'Failed in send ', rc, size_x*8, size_x
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zmq_put8_dvector = -1
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zmq_put8_dvector = -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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