program mrcc_slave implicit none BEGIN_DOC ! Helper program to compute the mrcc in distributed mode. END_DOC print *, "SLAVE" read_wf = .False. distributed_davidson = .False. SOFT_TOUCH read_wf distributed_davidson 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 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 double precision :: energy(N_states_diag) character*(64) :: states(1) integer :: rc, i integer, external :: zmq_get_dvector, zmq_get_N_det_generators integer, external :: zmq_get_psi, zmq_get_N_det_selectors integer, external :: zmq_get_N_states_diag call provide_everything zmq_context = f77_zmq_ctx_new () states(1) = 'mrcc' zmq_to_qp_run_socket = new_zmq_to_qp_run_socket() do call wait_for_states(states,zmq_state,1) if(zmq_state(1:7) == 'Stopped') then exit else if (zmq_state(1:4) == 'mrcc') then ! Selection ! --------- !call wall_time(t0) if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle !call wall_time(t1) !call write_double(6,(t1-t0),'Broadcast time') PROVIDE psi_bilinear_matrix_columns_loc psi_det_alpha_unique psi_det_beta_unique PROVIDE psi_bilinear_matrix_rows psi_det_sorted_order psi_bilinear_matrix_order PROVIDE psi_bilinear_matrix_transp_rows_loc psi_bilinear_matrix_transp_columns PROVIDE psi_bilinear_matrix_transp_order !$OMP PARALLEL PRIVATE(i) i = omp_get_thread_num() call mrcc_slave_tcp(i, energy) !$OMP END PARALLEL print *, 'mrcc done' endif end do end subroutine mrcc_slave_tcp(i,energy) implicit none double precision, intent(in) :: energy(N_states_diag) integer, intent(in) :: i logical :: lstop lstop = .False. call run_mrcc_slave(0,i,energy,lstop) end