Hi Jian,
Usually if the anatomy and functional fail to align properly, then the origin of one or both volumes isn't specified correctly. The orientation also could be a problem.
I notice that your anatomy's dimensions happen to match those of a volume spatially normalized to SPM's template bounding box, but the functional's dimensions do not appear to match those of a spatially normalized cubic 4mm volume. If the anatomy was spatially normalized, then its origin probably is 45,63,-36. This is the originator of a cubic 2mm spatially normalized (template bounding box). (Note that SPM calls this voxel 46,64,37, because AFNI voxel 0,0,0 is 1,1,1 in SPM.) You probably want to normalize both anatomy and functional or neither.
Donna Hanlon