diff --git a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f index 8bdcbff5..2aa04e62 100644 --- a/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f +++ b/plugins/Full_CI_ZMQ/pt2_stoch_routines.irp.f @@ -250,11 +250,12 @@ subroutine pt2_collector(E, b, tbc, comb, Ncomb, computed, pt2_detail, sumabove, end do double precision :: E0, avg, prop - call do_carlo(tbc, Ncomb+1-firstTBDcomb, comb(firstTBDcomb), pt2_detail, actually_computed, sumabove, sum2above, Nabove) - firstTBDcomb = int(Nabove(1)) - orgTBDcomb + 1 if (firstTBDcomb > Ncomb) then call zmq_abort(zmq_to_qp_run_socket) + exit pullLoop endif + call do_carlo(tbc, Ncomb+1-firstTBDcomb, comb(firstTBDcomb), pt2_detail, actually_computed, sumabove, sum2above, Nabove) + firstTBDcomb = int(Nabove(1)) - orgTBDcomb + 1 if(Nabove(1) < 5d0) cycle call get_first_tooth(actually_computed, tooth)