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https://github.com/LCPQ/quantum_package
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Updated shiftedbk slave
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@ -50,7 +50,7 @@ subroutine run_w
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PROVIDE psi_det psi_coef threshold_generators threshold_selectors state_average_weight mpi_master
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PROVIDE psi_det psi_coef threshold_generators threshold_selectors state_average_weight mpi_master
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PROVIDE zmq_state N_det_selectors dress_stoch_istate N_det dress_e0_denominator
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PROVIDE zmq_state N_det_selectors dress_stoch_istate N_det dress_e0_denominator
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PROVIDE N_det_generators N_states N_states_diag
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PROVIDE N_det_generators N_states N_states_diag psi_energy
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IRP_IF MPI
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IRP_IF MPI
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call MPI_BARRIER(MPI_COMM_WORLD, ierr)
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call MPI_BARRIER(MPI_COMM_WORLD, ierr)
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IRP_ENDIF
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IRP_ENDIF
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@ -89,8 +89,8 @@ subroutine run_w
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! --------
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! --------
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call wall_time(t0)
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call wall_time(t0)
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if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
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if (zmq_get_N_states_diag(zmq_to_qp_run_socket,1) == -1) cycle
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if (zmq_get_N_states_diag(zmq_to_qp_run_socket,1) == -1) cycle
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if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states_diag) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states_diag) == -1) cycle
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call wall_time(t1)
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call wall_time(t1)
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@ -115,23 +115,21 @@ subroutine run_w
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! Dress
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! Dress
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! ---
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! ---
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IRP_IF MPI
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call MPI_BARRIER(MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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print *, irp_here, 'error in barrier'
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endif
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IRP_ENDIF
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call wall_time(t0)
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call wall_time(t0)
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if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
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if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
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if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
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if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
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if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle
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if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_generators',threshold_generators,1) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'threshold_selectors',threshold_selectors,1) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
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if (zmq_get_int(zmq_to_qp_run_socket,1,'dress_stoch_istate',dress_stoch_istate) == -1) cycle
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if (zmq_get_int(zmq_to_qp_run_socket,1,'dress_stoch_istate',dress_stoch_istate) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
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psi_energy(1:N_states) = energy(1:N_states)
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psi_energy(1:N_states) = energy(1:N_states)
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TOUCH psi_energy state_average_weight dress_stoch_istate threshold_selectors threshold_generators
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TOUCH psi_energy state_average_weight dress_stoch_istate threshold_selectors threshold_generators
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if (mpi_master) then
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if (mpi_master) then
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@ -145,9 +143,21 @@ subroutine run_w
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call wall_time(t1)
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call wall_time(t1)
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call write_double(6,(t1-t0),'Broadcast time')
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call write_double(6,(t1-t0),'Broadcast time')
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IRP_IF MPI
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call MPI_BARRIER(MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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print *, irp_here, 'error in barrier'
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endif
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IRP_ENDIF
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call dress_slave_tcp(0, energy)
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if (.true.) then
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!$OMP PARALLEL PRIVATE(i)
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i = omp_get_thread_num()
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call run_dress_slave(0,i,dress_e0_denominator)
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!$OMP END PARALLEL
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endif
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print *, 'PT2 done'
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FREE state_average_weight
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IRP_IF MPI
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IRP_IF MPI
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call MPI_BARRIER(MPI_COMM_WORLD, ierr)
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call MPI_BARRIER(MPI_COMM_WORLD, ierr)
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