On Sun, Mar 05, 2017, 杨满意 wrote:
>
> ***** Processor 7
> ***** System must be very inhomogeneous.
> ***** Readjusting recip sizes.
> In this slab, Atoms found: 580 Allocated: 531
It sounds like your density is too low: does this behavior persist after
you run constant pressure simulations? Have you visually examined your
system to look for "bubbles" or other regions of non-constant density?
I would suggest continuing the equilibration at constant pressure to see if
warnings like this go away.
....dac
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Received on Sun Mar 05 2017 - 10:30:03 PST
