[gmx-users] Dose gpu support on flatbottom restraint

[Kevin Boyd]

Hi,

I believe flat bottom potentials had a bug that affected GPUs on multiple
ranks that was fixed in version 2016.4.

http://manual.gromacs.org/documentation/2018.1/release-notes/2016/2016.4.html

If you need to use Gromacs v5, I think the patch was applied to v5.1.5 as
well.

http://manual.gromacs.org/documentation/5.1.5/ReleaseNotes/release-notes.html#fixed-flat-bottomed-position-restraints-with-multiple-ranks

Kevin

On Sat, Mar 31, 2018 at 6:46 AM, Bhupendra Dandekar <
bhupendra.dandekar001 at gmail.com> wrote:

> Hi Gromacs users
>   I wanted to know whether flatbottom restraint does have GPU support or
> not?.
>
> I was trying a simulation with gromacs 5.0.6 and gromacs 5.1.4 with gpu in
> presence of flatbottom restraints.
> But in presence of gpu mode, these give segmentation fault.
> But if I run the same program with cpu mode in gromacs 5.0.6 or gromacs
> 5.1.4, these run without any problem.
>
> Is there any update on newer version regarding gpu support on flatbottom
> restraint ?
>
> regards
>
> Bhupendra
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