On Mon, Apr 06, 2020, Gallo, Angelo wrote:
>
>ERROR: Calculation halted. Periodic box dimensions have changed too much from their initial values.
>
> Alternatively you can run with the CPU code until the density has converged
> and then switch back to the GPU code.
Just to add to what Carlos said, the error message you got suggested
several approaches. In my experience, the one quoted above is likely to
be the easiest. Also, be sure to see what the density of your system
is, and how it is changing with time.
....dac
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Received on Mon Apr 06 2020 - 05:30:03 PDT
