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Re: [lammps-users] "Bond atom missing in image check" in parallel run of crystal structure with bond list
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Re: [lammps-users] "Bond atom missing in image check" in parallel run of crystal structure with bond list


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 11 Dec 2017 14:36:00 -0500



On Mon, Dec 11, 2017 at 10:13 AM, Jibao Lu <jibaolu2012@...1125.....> wrote:
Dear Axel,

I'm running a simulation of Boron Nitride monolayer (with bonds, angles, dihedrals) using PBC condiction. The job could run normally with the serial version of lammps-11Aug17. However, it gave me errors when run with the parallel version of lammps-11Aug17:
ERROR on proc 3: Bond atom missing in image check (../domain.cpp:766)
ERROR on proc 11: Bond atom missing in image check (../domain.cpp:766)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 11
...


I attached my input, datafile, and output files for your reference. Could you please help me to figure out the problem?

​the problem is, that you have no pair style defined. without a pair style, several properties that use the associated non-bond​ cutoff as basis, e.g. the communication cutoff, as not initialized and thus fall back to much smaller values. are you sure that the model is correct? it is very unusual to have a conventional force field parameterization without non-bonded interactions.

axel.

 

I appreciate your help!

Thanks,
Jibao

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.