[gmx-users] Dose gpu support on flatbottom restraint
kevin.boyd at uconn.edu
Sat Mar 31 13:55:06 CEST 2018
I believe flat bottom potentials had a bug that affected GPUs on multiple
ranks that was fixed in version 2016.4.
If you need to use Gromacs v5, I think the patch was applied to v5.1.5 as
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
> 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 ?
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