diff --git a/src/Determinants/slater_rules.irp.f b/src/Determinants/slater_rules.irp.f index cf3b8c1e..16fe2adc 100644 --- a/src/Determinants/slater_rules.irp.f +++ b/src/Determinants/slater_rules.irp.f @@ -1248,17 +1248,18 @@ subroutine H_u_0(v_0,u_0,H_jj,n,keys_tmp,Nint) ASSERT (Nint > 0) ASSERT (Nint == N_int) ASSERT (n>0) - PROVIDE ref_bitmask_energy + PROVIDE ref_bitmask_energy davidson_criterion + v_0 = 0.d0 !$OMP PARALLEL DEFAULT(NONE) & !$OMP PRIVATE(i,hij,j,k,idx,jj,vt,ii,sh,sh2,ni,exa,ext,org_i,org_j,endi) & - !$OMP SHARED(n,H_jj,u_0,keys_tmp,Nint,v_0,davidson_threshold,sorted,shortcut,sort_idx,version,davidson_criterion_is_built) + !$OMP SHARED(n,H_jj,u_0,keys_tmp,Nint,v_0,davidson_threshold,sorted,shortcut,sort_idx,version) allocate(idx(0:n), vt(n)) Vt = 0.d0 - v_0 = 0.d0 !$OMP SINGLE call sort_dets_ab_v(keys_tmp, sorted, sort_idx, shortcut, version, n, Nint) !$OMP END SINGLE + !$OMP BARRIER !$OMP DO SCHEDULE(dynamic) do sh=1,shortcut(0) @@ -1298,9 +1299,11 @@ subroutine H_u_0(v_0,u_0,H_jj,n,keys_tmp,Nint) enddo !$OMP END DO + integer :: omp_get_num_threads , omp_get_thread_num !$OMP SINGLE call sort_dets_ba_v(keys_tmp, sorted, sort_idx, shortcut, version, n, Nint) !$OMP END SINGLE + !$OMP BARRIER !$OMP DO SCHEDULE(dynamic) do sh=1,shortcut(0)