Yeah, I definitely couldn't and wouldn't reinvent the wheel in one semester :) I have, in fact, been using LAMMPS on Kraken (the other supercomputer at Oak Rid

Yeah, I definitely couldn't and wouldn't reinvent the wheel in one semester :) I have, in fact, been using LAMMPS on Kraken (the other supercomputer at Oak Ridge) for my research, but I decided for this project I would do something a little different so I can learn something new. The literature I have read thus far on GPU QMC seems to indicate that it's a fairly recent endeavor and has only been tested on small clusters. Of course, I need to do a deeper search before I begin working on anything, but if the field could use help scaling it up to something the size of Titan, then that could provide an order of magnitude increase in the kind of processing available and significantly help research that relies on QMC. If I could even make a small dent in the progress and add a new simulation technique to my knowledge-base, I think that would be a successful project!