diff --git a/plugins/QmcChem/target_pt2_qmc.irp.f b/plugins/QmcChem/target_pt2_qmc.irp.f index e5142a73..6e6d2a60 100644 --- a/plugins/QmcChem/target_pt2_qmc.irp.f +++ b/plugins/QmcChem/target_pt2_qmc.irp.f @@ -93,7 +93,7 @@ subroutine compute_energy(psi_bilinear_matrix_values_save, E, m, norm) m = 0 !$OMP PARALLEL DEFAULT(SHARED) PRIVATE(k,l,det_i,det_j,ci,cj,hij) REDUCTION(+:norm,m,num) allocate( det_i(N_int,2), det_j(N_int,2)) - !$OMP DO + !$OMP DO schedule(guided) do k=1,n_det if (psi_bilinear_matrix_values_save(k) == 0.d0) then cycle