[gmx-users] Error in MD simulation
mark.j.abraham at gmail.com
Mon Jun 17 22:26:34 CEST 2019
That means what it says - GROMACS couldn't detect a GPU. Generally that
means the driver is unhappy, etc. perhaps after a software update. Try a
reboot or a reinstall of the CUDA package.
On Mon, 17 Jun 2019 at 16:14, Mahmoud Mirzaei <mahzaei at gmail.com> wrote:
> Dear GMX Users,
> in Gromacs 18.1, May you please kindly help me with this error:
> Cannot run short-ranged nonbonded interactions on a GPU because there is
> none detected.
> after doing this command:
> gmx mdrun -deffnm md_0_1 -nb gpu
> Many thanks.
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