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Re: [lammps-users] Error running on multiple pprocessors
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Re: [lammps-users] Error running on multiple pprocessors


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 5 Sep 2017 06:17:34 -0400



On Tue, Sep 5, 2017 at 2:31 AM, Neda Rafiee via lammps-users <lammps-users@lists.sourceforge.net> wrote:
Thanks Axel,
But when I increase my lj and coloumbic cut offs from 10 and 12 angstrom to 12 and 14 , I get another error "neighbour list overflow"

​communication cutoff != interaction cutoff.​

http://lammps.sandia.gov/doc/comm_modify.html

How can I solve this problem? How can I get a sense of values that should be defined in neighbour and neighbour_modify commands?

​you need to spend more time reading the documentation and also need to spend more attention to detail.​

​it is quite suspicious, that you get a neighbor list overflow with 14 angstrom cutoff. you either have an unusual system or a bad geometry.

axel.​


 
Thanks
Neda

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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.