diff --git a/src/FourIdx/four_index_block.irp.f b/src/FourIdx/four_index_block.irp.f index f5956ca4..830e41da 100644 --- a/src/FourIdx/four_index_block.irp.f +++ b/src/FourIdx/four_index_block.irp.f @@ -71,7 +71,7 @@ subroutine four_index_transform_block(map_a,map_c,matrix_B,LDB, & integer*8 :: tempspace tempspace = (new_size * 16_8) / (1024_8 * 1024_8) - npass = min(l_end-l_start,1 + tempspace / 2048) ! 2 GiB of scratch space + npass = min(int(l_end-l_start,8),1_8 + tempspace / 2048_8) ! 2 GiB of scratch space l_block = (l_end-l_start+1)/npass ipass = 0 @@ -268,7 +268,6 @@ subroutine four_index_transform_block(map_a,map_c,matrix_B,LDB, & !$OMP CRITICAL call map_update(map_c, key, value, idx,1.d-15) -! call map_append(map_c, key, value, idx) !$OMP END CRITICAL !WRITE OUTPUT @@ -294,7 +293,6 @@ subroutine four_index_transform_block(map_a,map_c,matrix_B,LDB, & deallocate(key,value,V,T) !$OMP END PARALLEL call map_merge(map_c) -! call map_sort(map_c) deallocate(l_pointer) enddo