diff --git a/src/cipsi/run_selection_slave.irp.f b/src/cipsi/run_selection_slave.irp.f index 91bd3a38..de7c209c 100644 --- a/src/cipsi/run_selection_slave.irp.f +++ b/src/cipsi/run_selection_slave.irp.f @@ -61,10 +61,14 @@ subroutine run_selection_slave(thread,iproc,energy) if (N /= buf%N) then print *, 'N=', N print *, 'buf%N=', buf%N - print *, 'bug in ', irp_here - stop '-1' + print *, 'In ', irp_here, ': N /= buf%N' + stop -1 end if end if + if (i_generator > N_det_generators) then + print *, 'In ', irp_here, ': i_generator > N_det_generators' + stop -1 + endif call select_connected(i_generator,energy,pt2_data,buf,subset,pt2_F(i_generator)) endif diff --git a/src/fci/40.fci.bats b/src/fci/40.fci.bats index 9b99d865..c303ea87 100644 --- a/src/fci/40.fci.bats +++ b/src/fci/40.fci.bats @@ -40,13 +40,6 @@ function run_stoch() { run_stoch -49.14104086 0.0001 10000 } -@test "F2" { # 0:03:34 - [[ -n $TRAVIS ]] && skip - qp set_file f2.ezfio - qp set_frozen_core - run_stoch -199.30821487 0.002 100000 -} - @test "NH3" { # 0:00:11 qp set_file nh3.ezfio qp set_mo_class --core="[1-4]" --act="[5-72]" @@ -186,3 +179,10 @@ function run_stoch() { run_stoch -93.09855896 5.e-4 50000 } +@test "F2" { # 0:03:34 + [[ -n $TRAVIS ]] && skip + qp set_file f2.ezfio + qp set_frozen_core + run_stoch -199.30821487 0.002 100000 +} +