Try to run it using cpus at first. It msy be from a bad initial model
(cpptraj can help check) or bad parameters) if you are using custom for
field libraries). Or perhaps bad relaxation protocol. Share more details if
any of these might be the issue.
On Wed, Aug 28, 2024, 3:55 AM ABDELATIF MESSAOUDI via AMBER <
amber.ambermd.org> wrote:
> Dear Amber users
> I am trying to equilibrate my sistem. My first min trial was successful.
> But my eq are giving this error "Error: an illegal memory access was
> encountered launching kernel kNLSkinTest"
> So do you have any idea ?
> Thank you in advance
> Cheers
>
> Abdelatif Messaoudi
> LCMVAR, University of Batna 1, Algeria
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Aug 28 2024 - 03:30:02 PDT
