Hello,
When using a domain with a single set of fixed boundaries, restart and
write_restart both appear to fail, with the error
Atom count is inconsistent, cannot write restart file (write_restart.cpp:135)
I may have modified the code line reference; it refers to the condition
if(natoms != atom->natoms && output->thermo->lostflag == ERROR)
If run with the script below, both error conditions are true.
The simulation can run without complaining for any number of timesteps,
and only fails when attempting to write a restart file. Moreover, the difference
between natoms and atom->natoms that trips this error message increases
with increasing timestep.
If the boundary command is removed, the run completes successfully,
athough the lostflag condition in line 135 is still true.
I am using a very recent pull from the git repository. Any advice would
be appreciated.
Thanks,
Seth.
Reference script:
units metal
atom_style atomic
boundary p p f # if this line is removed, the code completes without error
variable runtemp equal 60.0
variable lattconst equal 3.52
lattice fcc \{lattconst\}
region whole block 0 10 0 10 0 10 units lattice
create\_box 1 whole
create\_atoms 1 box
mass 1 26\.98154
timestep 0\.002
pair\_style eam
pair\_coeff \* \* Ni\_u3\.eam
velocity all create {runtemp} 88 dist gaussian mom yes rot yes
fix firstmotionless all momentum 1 linear 1 1 1 angular
fix firstnpt all npt temp \{runtemp\} {runtemp} 0.035 x 0.0 0.0 1.2 y 0.0 0.0 1.2
run 50
write_restart restart.trial