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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Jun 30 2019 - 05:30:01 PDT
