Dear Ross and Jason and the community,
Thanks for the detailed explanations. The new features do look quite
exciting (and speedy)! Few more questions regarding TI pmemd.MPI/
pmemd.cuda.MPI :
a. Since we might have to rebuild our CPU/GPU nodes, wonder if the
potential TI pmemd.MPI/ pmemd.cuda.MPI still follows "the power of 2
feature" as TI sander.MPI does?
b. Will the softcore potential minimization step supported by pmemd.MPI/
pmemd.cuda.MPI?
c. Also will the 3 steps/1 step TI parameters being changed significantly?
Or TI will just be shifted from sander.MPI to pmemd.MPI/ pmemd.cuda.MPI ?
Thanks.
Cheers,
Henry
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Received on Sun Feb 23 2014 - 13:00:03 PST
