Hi Henry,
I'll let Dave confirm expected release dates. There will be lots of new
features although I don't think we've finished putting them all into a
coherent list yet. A few nuggets:
TI will be supported in pmemd - we are finalizing TI on GPU and hope to
have it for release
There will be major speed improvements in the GPU code (including peer to
peer parallel support) making AMBER's pmemd.cuda the world's fastest MD
engine on commodity hardware. Other support will be things like hydrogen
mass repartitioning, a much more efficient (performance wise) Monte Carlo
barostat, better extra points support, constant PH, multi-D REMD, scaled
MD, off diagonal VDW support...
MMPBSA would need a GPU PB solver that we don't currently have. One could
do MMGBSA though.
All the best
Ross
On 2/17/14, 10:58 AM, "psu4.uic.edu" <psu4.uic.edu> wrote:
>Dear Amber developers,
>
> If not too much asking, wonder Amber 14 might be released this Spring
>(April), following the bi-annual update cycle? Also wonder what might be
>the exciting new functions like GPU supports on MM/PBSA and /or pmemd.MPI
>on TI? Thanks.
>
> Cheers,
> Henry
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Received on Mon Feb 17 2014 - 11:30:03 PST
