Did not assign all atoms correctly after read_restart

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1

Hello users,

I run a NPT simulation with 50000.
It runs perfect and it produces every few steps a restart file.

When I try to restart the simulation by using any of the restart files y using read_restart i get the following:

“49991 atoms
ERROR: Did not assign all atoms correctly (…/read_restart.cpp:473)”

I used write_data and at the end the adta file had the correct atom number.

I am using 1 Feb 2014 version of LAMMPS.

Could you please give me some guidelines?

Thank you.

2

Hello users,

I run a NPT simulation with 50000.
It runs perfect and it produces every few steps a restart file.

When I try to restart the simulation by using any of the restart files y
using read_restart i get the following:

"49991 atoms
ERROR: Did not assign all atoms correctly (../read_restart.cpp:473)"

I used write_data and at the end the adta file had the correct atom number.

I am using 1 Feb 2014 version of LAMMPS.

Could you please give me some guidelines?

​the first option to try should always​ be to check out the latest version
of LAMMPS. i vaguely recall, that there may have been some issue with
restarting under run_style respa that has been resolved since.
in addition, recent versions of LAMMPS offer the "remap" option to
read_restart, that would - as a last resort - remap atoms outside the box
rather than just dropping them.

axel.

3

The remap will not change the problem as in the restart file already there is the wrong number of atoms.

I will try to use latest version of LAMMPS.

thanks for the support.