Dear all,
I have a restart file that I want to use for next simulation. All the parameters have been taken same for both of the restart file and final simulation. When I simulate restart file on HPC, following errors happened using velocity command.
…
velocity all create 200.0 4928459
ERROR: Atom IDs must be consecutive for velocity create loop all (…/velocity.cpp:220)
…
Prior to this I haven’t faced any problem using the velocity command.
What are the possible errors? Please help.
Thanks
Amit
Dear all,
I have a restart file that I want to use for next simulation. All the
parameters have been taken same for both of the restart file and final
simulation. When I simulate restart file on HPC, following errors happened
using velocity command.
..................................................................
velocity all create 200.0 4928459
ERROR: Atom IDs must be consecutive for velocity create loop all
(../velocity.cpp:220)
..................................................................
Prior to this I haven't faced any problem using the velocity command.
What are the possible errors? Please help.
well, it is just as the error message tells you.
your atom ids don't start at 1 and are not consecutive, which is
required for the "velocity create" command to work with default
settings (loop all).
that can have multiple reasons. e.g. you deleted some, you lost atoms,
you didn't assign consecutive atom ids in the first place, you may
have read in a restart with an incompatible LAMMPS version.
depending on what is going on, you'll have to either make the atom ids
consecutive, find out the reason why you lost atoms (if it is
unintentional) or change the velocity command to some variant, that
doesn't require consecutive atom ids.
in short, it can be an indication of something very bad happening, or
no big deal. which is impossible to say without knowing further
details.
axel.