Dear Folks, I have noticed that some molecular dynamics programs are making use of GPU computing power these days. E.g. openmm which I think can be compiled and run in debian:
https://simtk.org/home/openmm/ It uses CUDA which I thought only ran on Nvidia graphics cards. But I have discovered something called ocelot that seems to be able to allow amd cards to run CUDA programs in some way or other...... Has anyone tried ocelot? Does it work, ie are the execution times similar to native CUDA compilations etc? Comments appreciated Regards Michael Fothergill
