[lammps-users] restart difficulties - group creation from region

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1

Hello LAMMPS users,

I have run into an unexpected problem when using a restart file.

When I read in the restart file I go through the process of resubmitting a variety of commands for things that are not stored in the restart (ie. regions, fixes, processor definitions, etc.). However after the simulation runs from the restart I try to create a group from a region and get no atoms, when I know there are (or should be atoms) in the region specified.

I've attached the log file of my simulation to this email. The region and group in question are drop_temp and drop_move respectively. The group command in question is line 167 while the region is restated on line 29.

I've been through the output many times and cannot see anything that would indicate why this would happen. I've also visualized the output and there appears to be atoms in the region at the time the group is created.

If anyone has run into similar problems before or has an idea of what might be going on here any information you could share would be greatly appreciated.

Many thanks.

Dan Lussier

problem_logfile.log (31.7 KB)

2

The region you define is in lattice units (the default) which is 1.78x that
of box units. So the sphere you define may not be where you think
it is. If that's not the issue, then I suggest you put some print
statements in region_sphere.cpp or in group.cpp and see why
it's not picking up any atoms at the point in time it gets defined.

Steve