[lammps-users] parallel simulation problem

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1

Dear all,

body
I have now moved on to parallel lammps, and everything looked good -- it compiled, and my small example worked on 6 processors without problems. However, when I tried to simulate ~26000 atoms in parallel, I got the following message:

Deleting bonds ...
ERROR on proc 0: Bond atom missing in delete_bonds
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
ERROR on proc 1: Bond atom missing in delete_bonds
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1
rank 0 in job 9 s0793217-VPCF12Z1E_43784 caused collective abort of all ranks
   exit status of rank 0: return code 1

Again, when I run this in parallel mode on 1 processor it works. Could anybody possibly help me with th is? Thank You very much in advance!

Sincerely Yours,
Anna

2

That error happens b/c a processor cannot find the 2nd atom
that one of its atoms is bonded to. You must not have a cutoff
set long enough for it to find it. Are you using a pair style
with a cutoff as long as your bond lengths?

Steve