diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index f6170be9..6ab7e57d 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -212,6 +212,7 @@ subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, allocate(actually_computed(N_det_generators), parts_to_get(N_det_generators), & pt2_mwen(N_states, N_det_generators) ) + pt2_mwen(1:N_states, 1:N_det_generators) =0.d0 do i=1,N_det_generators actually_computed(i) = computed(i) enddo @@ -271,7 +272,6 @@ subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, timeLast = time do i=1, first_det_of_teeth(1)-1 if(.not.(actually_computed(i))) then -! print *, "PT2 : deterministic part not finished" cycle pullLoop end if end do diff --git a/plugins/Full_CI_ZMQ/run_pt2_slave.irp.f b/plugins/Full_CI_ZMQ/run_pt2_slave.irp.f index 2e49669f..7589d6d8 100644 --- a/plugins/Full_CI_ZMQ/run_pt2_slave.irp.f +++ b/plugins/Full_CI_ZMQ/run_pt2_slave.irp.f @@ -43,7 +43,7 @@ subroutine run_pt2_slave(thread,iproc,energy) do call get_task_from_taskserver(zmq_to_qp_run_socket,worker_id, task_id(ctask), task) - done = task_id(ctask) == 0 + done = task_id(ctask) == 0 if (done) then ctask = ctask - 1 else @@ -145,10 +145,6 @@ subroutine pull_pt2_results(zmq_socket_pull, N, index, pt2_detail, task_id, ntas ! Activate is zmq_socket_pull is a REP rc = f77_zmq_send( zmq_socket_pull, 'ok', 2, 0) - - do i=N+1,N_det_generators - pt2_detail(1:N_states,i) = 0.d0 - enddo end subroutine