Hi there,
You want to change the value of dt from 0.002 to 0.001 because the longer time step during the equilibration stages has (apparently random) adverse events.
Best,
Kevin
> On Nov 7, 2022, at 8:07 PM, Hwang, Sunny via AMBER <amber.ambermd.org> wrote:
>
> Hi,
>
> I am trying to run AMBER-TI with MOE setup input files. I am facing this error message when I submit the job.
>
> Error: an illegal memory access was encountered launching kernel kClearTIKinEnergy_kernel.
>
> Does anyone have any idea or encountered the same issue?
>
> Thank you.
>
>
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Received on Mon Nov 07 2022 - 18:00:03 PST
