Hello all,
I can’t seem to read the restart file generated while running with the GPU package, I get an error that LAMMPS did not assign all atoms correctly after it states the number of atoms read. The box shape is triclinic in this case. I am using a Mar 20, 2014 SVN checkout. Could this be a bug, or an error on my part? Thanks in advance.
-Niraj
Are you running with rRESPA or Verlet?
The former has a known bug wrt restart files
which we have not fixed yet, which can
lead to lost atoms.
Steve
I am running with verlet, using the EAM pair style. I can’t convert the restart at the command line either, it gives the same error.
Once the atoms-outside-the simulation box are in
the restart file, it’s too late. The Q is how
did those bad atoms get in the restart file. Verlet
should not do it. And I can’t think of anything in
the GPU package that has anything to do with this.
Can you reproduce the problem without the GPU
package? Can you provide a small, quick script
that reproduces the problem?
Steve