Re: [gmx-users] Dose gpu support on flatbottom restraint

Thank you so much Kevin. On Sat, Mar 31, 2018 at 5:25 PM, Kevin Boyd 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- >

Re: [gmx-users] Dose gpu support on flatbottom restraint

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.

[gmx-users] Dose gpu support on flatbottom restraint

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