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


From: Jibao Lu <jibaolu2012@...24...>
Date: Mon, 11 Dec 2017 23:13:25 +0800

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?

I appreciate your help!

Thanks,
Jibao

Attachment: in.adopted
Description: Binary data

Attachment: readme
Description: Binary data

Attachment: BN_4x4.data
Description: Binary data

Attachment: job.sh
Description: Bourne shell script

Attachment: BNC.tersoff
Description: Binary data

Attachment: slurm-4020882.out
Description: Binary data