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Re: [lammps-users] deposit molecule:segmentation fault (11)
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Re: [lammps-users] deposit molecule:segmentation fault (11)


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Wed, 9 May 2018 13:38:16 -0400

On Mon, May 7, 2018 at 9:28 PM, 李珠宏 <forever12103@...36.....127...> wrote:
> Dear LAMMPS users
>       I am new to lammps, and i use the lammps of the latest version. I am
> encountering segmentation fault when doing deposition simulation.
> Using 28 cpu to do simulation can deposit 20 molecules at 10000 steps to
> insert a molecule. If increase the area of adding molecule, it can
> deposit more molecules at   50 steps to insert a molecule. Using 4 or 8 cpu
> to do simulation can deposit more molecules at 10000 steps to
> add a molecule. But simulation all suffer from segmentation fault. I have
> read the mail list about the segmentation fault, but i still do not get
> rid of it .  I guess this is parallel computing problem. Do you have any
> recommendation?

the problem is elsewhere. you seem to be triggering an issue with
sorting dump files by atom id.
if you comment out the dump_modify lines, your input does not crash.

axel.


>     thanks in advance.
>
>
>
>
>
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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.