Hi Joe,
GPU accelerated TI support is coming in AMBER 18. In the meantime in order to make sure the release version works optimally we are allowing people by request to beta test the AMBER 18 code. If you are willing to try it, appreciating that it is still beta so subject to bugs and change, please email me directly and I'll send you a patch to apply to AMBER 16.
All the best
Ross
> On Nov 6, 2017, at 03:57, Johannes Löffler <johannes.r.loeffler.gmail.com> wrote:
>
> Dear all,
>
> Is there a way to use the GPU acceleration for Free Energy Calculations?
>
> Kind Regards,
>
> Joe
>
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Received on Mon Nov 06 2017 - 05:30:03 PST
