[gmx-users] install and mdrun problems

[Kamran Gul, M.Phil. Scholar, Institute of Chemical Sciences, UoP]

Try gromacs 2019.2.
And then update your cuda and nvidia.

On Mon, 2 Mar 2020, 6:58 p.m. Kunal Dutta, <mamapcr at gmail.com> wrote:

> Hello Sir,
> May I know the detailed configuration of your system.
> Sincerely,
> Kunal
>
>
>
>
> On Mon, 2 Mar 2020 at 09:08, Bogdanov, Vladimir <bogdanov.7 at osu.edu>
> wrote:
>
> > Hi all,
> >
> > I installed Gromacs2020 on ubuntu18.04 (nvidia-smi 440.59, CUDA 10.2),
> but
> > when I did make check, my PC turned off. I also tried to install
> > Gromacs2018.2, Gromacs2018.6 and I have got the same problem. When I
> tried
> > to do mdrun, my PC also shut down. I also tried the following
> combination:
> > nvidia-smi 440.59, CUDA 9.2.
> >
> > Any ideas would be helpful.
> >
> > Thanks,
> > Vlad
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