diff --git a/src/bi_ort_ints/three_body_ijmk.irp.f b/src/bi_ort_ints/three_body_ijmk.irp.f index ee7e88ef..4a99fb1b 100644 --- a/src/bi_ort_ints/three_body_ijmk.irp.f +++ b/src/bi_ort_ints/three_body_ijmk.irp.f @@ -97,7 +97,7 @@ , tmp3, 3*n_points_final_grid, tmp1, 3*n_points_final_grid & , 0.d0, tmp_4d, mo_num*mo_num) - deallocate(tmp1) +! deallocate(tmp1) !$OMP PARALLEL DO PRIVATE(i,j,k,m) do i = 1, mo_num @@ -112,7 +112,7 @@ !$OMP END PARALLEL DO - +! allocate(tmp1(n_points_final_grid, 2, mo_num, mo_num)) !$OMP PARALLEL & !$OMP DEFAULT (NONE) & !$OMP PRIVATE (i, l, ipoint) & @@ -195,7 +195,7 @@ , tmp1, 3*n_points_final_grid, int2_grad1_u12_bimo_t, 3*n_points_final_grid & , 0.d0, tmp_4d, mo_num*mo_num) - deallocate(tmp1) +! deallocate(tmp1) !$OMP PARALLEL DO PRIVATE(i,j,k,m) do i = 1, mo_num