What features make OpenCL unique to choose over OpenGL with GLSL for calculations? Despite the graphic related terminology and inpractical datatypes, is there any real caveat to
The "feature" that OpenCL is designed for general-purpose computation, while OpenGL is for graphics. You can do anything in GL (it is Turing-complete) but then you are driving in a nail using the handle of the screwdriver as a hammer.
Also, OpenCL can run not just on GPUs, but also on CPUs and various dedicated accelerators.