diff --git a/src/Davidson/u0Hu0.irp.f b/src/Davidson/u0Hu0.irp.f index a32e8114..4dc1a396 100644 --- a/src/Davidson/u0Hu0.irp.f +++ b/src/Davidson/u0Hu0.irp.f @@ -185,9 +185,9 @@ subroutine H_S2_u_0_nstates_openmp_work_$N_int(v_t,s_t,u_t,N_st,sze,istart,iend, ASSERT (kcol <= N_det_beta_unique) tmp_det(1:$N_int,1) = psi_det_alpha_unique(1:$N_int, krow) - tmp_det(1:$N_int,2) = psi_det_beta_unique (1:$N_int, kcol) if (kcol /= kcol_prev) then + tmp_det(1:$N_int,2) = psi_det_beta_unique (1:$N_int, kcol) call get_all_spin_singles_$N_int( & psi_det_beta_unique, idx0, & tmp_det(1,2), N_det_beta_unique, & @@ -210,7 +210,7 @@ subroutine H_S2_u_0_nstates_openmp_work_$N_int(v_t,s_t,u_t,N_st,sze,istart,iend, lrow = psi_bilinear_matrix_rows(l_a) ASSERT (lrow <= N_det_alpha_unique) - buffer(1:$N_int,j) = psi_det_alpha_unique(1:$N_int, lrow) + buffer(1:$N_int,j) = psi_det_alpha_unique(1:$N_int, lrow) ! hot spot ASSERT (l_a <= N_det) idx(j) = l_a @@ -284,7 +284,7 @@ subroutine H_S2_u_0_nstates_openmp_work_$N_int(v_t,s_t,u_t,N_st,sze,istart,iend, lrow = psi_bilinear_matrix_rows(l_a) ASSERT (lrow <= N_det_alpha_unique) - buffer(1:$N_int,i) = psi_det_alpha_unique(1:$N_int, lrow) + buffer(1:$N_int,i) = psi_det_alpha_unique(1:$N_int, lrow) ! Hot spot idx(i) = l_a l_a = l_a+1 enddo diff --git a/src/Determinants/zmq.irp.f b/src/Determinants/zmq.irp.f index 33350974..19d906cd 100644 --- a/src/Determinants/zmq.irp.f +++ b/src/Determinants/zmq.irp.f @@ -153,13 +153,13 @@ integer function zmq_put_psi_bilinear(zmq_to_qp_run_socket,worker_id) return endif - integer*8, external :: zmq_put_N_det_alpha_unique + integer, external :: zmq_put_N_det_alpha_unique if (zmq_put_N_det_alpha_unique(zmq_to_qp_run_socket,worker_id) == -1) then zmq_put_psi_bilinear = -1 return endif - integer*8, external :: zmq_put_N_det_beta_unique + integer, external :: zmq_put_N_det_beta_unique if (zmq_put_N_det_beta_unique(zmq_to_qp_run_socket,worker_id) == -1) then zmq_put_psi_bilinear = -1 return @@ -242,13 +242,13 @@ integer function zmq_get_psi_bilinear(zmq_to_qp_run_socket, worker_id) endif - integer*8, external :: zmq_get_N_det_alpha_unique + integer, external :: zmq_get_N_det_alpha_unique if (zmq_get_N_det_alpha_unique(zmq_to_qp_run_socket,worker_id) == -1) then zmq_get_psi_bilinear = -1 return endif - integer*8, external :: zmq_get_N_det_beta_unique + integer, external :: zmq_get_N_det_beta_unique if (zmq_get_N_det_beta_unique(zmq_to_qp_run_socket,worker_id) == -1) then zmq_get_psi_bilinear = -1 return