eForce cards may be flaky?
>
> --
> Szilárd
>
>
> On Wed, Dec 4, 2019 at 7:47 PM Chenou Zhang wrote:
>
> > We tried the same gmx settings in 2019.4 with different protein systems.
> > And we got the same weird potential energy jump within 1000 steps.
> >
>
3.61574e-06
```
On Mon, Dec 2, 2019 at 2:13 PM Mark Abraham
wrote:
> Hi,
>
> What driver version is reported in the respective log files? Does the error
> persist if mdrun -notunepme is used?
>
> Mark
>
> On Mon., 2 Dec. 2019, 21:18 Chenou Zhang, wrote:
>
gy at the end of it.
On Mon, Dec 2, 2019 at 2:13 PM Mark Abraham
wrote:
> Hi,
>
> What driver version is reported in the respective log files? Does the error
> persist if mdrun -notunepme is used?
>
> Mark
>
> On Mon., 2 Dec. 2019, 21:18 Chenou Zhang, wrote:
>
> &
nepme option and get you updated.
Chenou
On Mon, Dec 2, 2019 at 2:13 PM Mark Abraham
wrote:
> Hi,
>
> What driver version is reported in the respective log files? Does the error
> persist if mdrun -notunepme is used?
>
> Mark
>
> On Mon., 2 Dec. 2019, 21:18 Chenou Zh
Hi Gromacs developers,
I'm currently running gromacs 2019.4 on our university's HPC cluster. To
fully utilize the GPU nodes, I followed notes on
http://manual.gromacs.org/documentation/current/user-guide/mdrun-performance.html.
And here is the command I used for my runs.
```
gmx mdrun -v -s $TPR
