[gmx-users] tabulated potentials on GPU?

[Szilárd Páll]

On Tue, Jan 21, 2014 at 1:45 PM, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Tabulated, yes. With all algorithms, who knows? Tabulated non-bondeds on
> GPU, I highly doubt. GPUs are for computing, not looking up random-access
> tables.

Actually, the CUDA Ewald non-bonded kernels are tabulated on Fermi
GPUs - the texture memory is pretty good at scattered loads
(especially when fully cached)! User-provided tables are not
supported, though.

>
> Mark
>
> On Tue, Jan 21, 2014 at 12:19 PM, Steven Neumann <s.neumann08 at gmail.com>wrote:
>
>> Dear Gromacs Users,
>>
>> Can you please write me whther Gromacs 4.6 support tabulated potentials for
>> bonded and non-bonded interactions?
>>
>> Steven
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