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Re: [lammps-users] Read_restart changing box parameters
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Re: [lammps-users] Read_restart changing box parameters

From: Carter Rhea <crhea@...7157...>
Date: Thu, 26 Oct 2017 08:20:52 -0400

Well My "Ugly Hack" was recommended on the following page:
Cannot change_box after reading restart file with per-atom info
This is because the restart file info cannot be migrated with the atoms. You can get around this by performing a 0-timestep run which will assign the restart file info to actual atoms.

On Thu, Oct 26, 2017 at 8:09 AM, Axel Kohlmeyer <akohlmey@...24...> wrote:
On Thu, Oct 26, 2017 at 8:04 AM, Carter Rhea <crhea@...7157...> wrote:
> Dear Axel,
>  Thank you for the prompt reply. I agree that it seemed rather odd, but I
> noted the change in boundaries from the output of LAMMPS following the
> reading of the restart file. I have fixed it with the following simple

that is no proof.

> command:
> run         0
> change_box     all y final -0.5 0.5 boundary f f p
> change_box     all x final -5.0 5.0 boundary f f p

this is not a fix but an ugly hack and it doesn't help us a single bit
in identifying and tracking down what may be a very serious bug in the

so please provide what i had asked for. you should want to know the
proper resolution of this, too, because if this is not reproducible,
it would mean, that there is something seriously wrong with your
simulation or you don't properly understand what you are doing or you
have a miscompiled executable. all of those are serious issues.


> --
> Thank you,
>  Carter Rhea
> College of Charleston
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Dr. Axel Kohlmeyer  akohlmey@...43...4...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

Thank you,
 Carter Rhea
College of Charleston

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