diff --git a/src/hfx_ri.F b/src/hfx_ri.F index 537b1abac3..481939f782 100644 --- a/src/hfx_ri.F +++ b/src/hfx_ri.F @@ -2755,7 +2755,6 @@ CONTAINS CALL timeset(routineN//"_3c", handle) !Start looping of the batches - CALL dbt_batched_contract_init(t_R) DO i_mem = 1, n_mem ibounds(:, 1) = [batch_start(i_mem), batch_end(i_mem)] @@ -2812,6 +2811,7 @@ CONTAINS ijbounds(:, 2) = jbounds(:, 1) !Contract R_PS = (acP) M_acS + CALL dbt_batched_contract_init(t_R) CALL dbt_contract(1.0_dp, t_3c_int_2, t_3c_3, 1.0_dp, t_R, & contract_1=[2, 3], notcontract_1=[1], & contract_2=[2, 3], notcontract_2=[1], & @@ -2819,6 +2819,7 @@ CONTAINS bounds_1=ijbounds, bounds_3=kbounds, & unit_nr=unit_nr_dbcsr, flop=nflop) ri_data%dbcsr_nflop = ri_data%dbcsr_nflop + nflop + CALL dbt_batched_contract_finalize(t_R) END DO !k_mem END DO !j_mem @@ -2873,7 +2874,6 @@ CONTAINS CALL dbt_clear(t_3c_help_1) CALL dbt_clear(t_3c_help_2) END DO !i_mem - CALL dbt_batched_contract_finalize(t_R) CALL timestop(handle) CALL timeset(routineN//"_2c", handle)