[gmx-users] Dose gpu support on flatbottom restraint

[Bhupendra Dandekar]

Thank you so much Kevin.

On Sat, Mar 31, 2018 at 5:25 PM, Kevin Boyd <kevin.boyd at uconn.edu> wrote:

> 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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