diff --git a/configure b/configure index aa27ffa4..685cccfd 100755 --- a/configure +++ b/configure @@ -3,9 +3,6 @@ # Quantum Package configuration script # -unset CC -unset CXX - TEMP=$(getopt -o c:i:h -l config:,install:,help -n $0 -- "$@") || exit 1 eval set -- "$TEMP" @@ -14,6 +11,10 @@ echo "QP_ROOT="$QP_ROOT unset CC unset CCXX +# Force GCC instead of ICC for dependencies +export CC=gcc + + # When updating version, update also etc files BATS_URL="https://github.com/bats-core/bats-core/archive/v1.1.0.tar.gz" diff --git a/src/cipsi/slave_cipsi.irp.f b/src/cipsi/slave_cipsi.irp.f index 3e33dfa8..e9990986 100644 --- a/src/cipsi/slave_cipsi.irp.f +++ b/src/cipsi/slave_cipsi.irp.f @@ -117,8 +117,12 @@ subroutine run_slave_main call mpi_print('zmq_get_dvector state_average_weight') IRP_ENDIF if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle + IRP_IF MPI_DEBUG + call mpi_print('zmq_get_dvector selection_weight') + IRP_ENDIF + if (zmq_get_dvector(zmq_to_qp_run_socket,1,'selection_weight',selection_weight,N_states) == -1) cycle pt2_e0_denominator(1:N_states) = energy(1:N_states) - TOUCH pt2_e0_denominator state_average_weight threshold_generators + TOUCH pt2_e0_denominator state_average_weight threshold_generators selection_weight if (mpi_master) then print *, 'N_det', N_det @@ -127,6 +131,7 @@ subroutine run_slave_main print *, 'pt2_e0_denominator', pt2_e0_denominator print *, 'pt2_stoch_istate', pt2_stoch_istate print *, 'state_average_weight', state_average_weight + print *, 'selection_weight', selection_weight endif call wall_time(t1) call write_double(6,(t1-t0),'Broadcast time')