My recollection (which is admittedly fuzzy) is in line with yours. MD was the first application of GPU-accelerated computing that I recall (partly cause NVidia

My recollection (which is admittedly fuzzy) is in line with yours. MD was the first application of GPU-accelerated computing that I recall (partly cause NVidia seemed to push that). BLAS, LAPACK, etc got GPU-enabled later.