Re: [AMBER] Error: "System must be very inhomogeneous"

From: Lucas Bandeira <bandeiralucas97.gmail.com>
Date: Mon, 1 Jul 2019 13:33:42 -0300

Thank you very much for your replies.

I didn't see anything wrong in the VMD.

About the system, I'm simulating EDLs. So, does it make sense if the system
is not homogeneous, because of the layers?

Sincerely yours,

Lucas Bandeira


On Sun, Jun 30, 2019 at 9:28 AM David Case <david.case.rutgers.edu> wrote:

> On Sat, Jun 29, 2019, Lucas Bandeira wrote:
> >
> >I performed a NVT phase production simulation and the following message
> >appeared to me:
> >
> >***** Processor 6
> >***** System must be very inhomogeneous.
> >***** Readjusting recip sizes.
> > In this slab, Atoms found: 928 Allocated: 926
>
> Other general recommendation is to run many fewer MPI threads (or
> perhaps just in serial mode) until the system becomes better
> equilibrated (if it does.) Certainly, visualize your system to see if the
> distribution of atoms is non-uniform in an unexpected way.
>
> ....dac
>
>
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Received on Mon Jul 01 2019 - 10:00:02 PDT
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