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
Something that hasn't been mentioned in any answers so far has been speed of execution. If your algorithm can be expressed in OpenGL graphics (e.g. no scattered writes, no local memory, no workgroups, etc.) it will very often run faster than an OpenCL counterpart. My specific experience of this has been doing image filter (gather) kernels across AMD, nVidia, IMG and Qualcomm GPUs. The OpenGL implementations invariably run faster even after hardcore OpenCL kernel optimization. (aside: I suspect this is due to years of hardware and drivers being specifically tuned to graphics orientated workloads.)
My advice would be that if your compute program feels like it maps nicely to the graphics domain then use OpenGL. If not, OpenCL is more general and simpler to express compute problems.
Another point to mention (or to ask) is whether you are writing as a hobbyist (i.e. for yourself) or commercially (i.e. for distribution to others). While OpenGL is supported pretty much everywhere, OpenCL is totally lacking support on mobile devices and, imho, is highly unlikely to appear on Android or iOS in the next few years. If wide cross platform compatibility from a single code base is a goal then OpenGL may be forced upon you.