Exploring SIMD for Molecular Dynamics
Simon John Pennycook, Christopher J. Hughes, Mikhail Smelyanskiy, Stephen A. Jarvis · 2013
TM coprocessor provides up to an ad- ditional 2x performance increase. These results demonstrate: (i) the importance of effective SIMD utilisation for molecular dynamics codes on current and future hardware; and (ii) the considerable performance increase afforded by the use of