<DD>This is not allowed if the kspace_modify overlap setting is no.
<DT><I>PPPM order < minimum allowed order</I>
<DD>The default minimum order is 2. This can be reset by the
kspace_modify minorder command.
<DT><I>PPPM order cannot be < 2 or > than %d</I>
<DD>This is a limitation of the PPPM implementation in LAMMPS.
<DT><I>PPPMDisp Coulomb grid is too large</I>
<DD>The global PPPM grid is larger than OFFSET in one or more dimensions.
OFFSET is currently set to 4096. You likely need to decrease the
requested accuracy.
<DT><I>PPPMDisp Dispersion grid is too large</I>
<DD>The global PPPM grid is larger than OFFSET in one or more dimensions.
OFFSET is currently set to 4096. You likely need to decrease the
requested accuracy.
<DT><I>PPPMDisp can only currently be used with comm_style brick</I>
<DD>This is a current restriction in LAMMPS.
<DT><I>PPPMDisp coulomb order cannot be greater than %d</I>
<DD>This is a limitation of the PPPM implementation in LAMMPS.
<DT><I>PPPMDisp used but no parameters set, for further information please see the pppm/disp documentation</I>
<DD>An efficient and accurate usage of the pppm/disp requires settings via the kspace_modify command. Please see the pppm/disp documentation for further instructions.
<DT><I>PRD command before simulation box is defined</I>
<DD>The prd command cannot be used before a read_data,
read_restart, or create_box command.
<DT><I>PRD nsteps must be multiple of t_event</I>
<DD>Self-explanatory.
<DT><I>PRD t_corr must be multiple of t_event</I>
<DD>Self-explanatory.
<DT><I>Package command after simulation box is defined</I>
<DD>The package command cannot be used afer a read_data, read_restart, or
create_box command.
<DT><I>Package cuda command without USER-CUDA package enabled</I>
<DD>The USER-CUDA package must be installed via "make yes-user-cuda"
before LAMMPS is built, and the "-c on" must be used to enable the
package.
<DT><I>Package gpu command without GPU package installed</I>
<DD>The GPU package must be installed via "make yes-gpu" before LAMMPS is
built.
<DT><I>Package intel command without USER-INTEL package installed</I>
<DD>The USER-INTEL package must be installed via "make yes-user-intel"
before LAMMPS is built.
<DT><I>Package kokkos command without KOKKOS package enabled</I>
<DD>The KOKKOS package must be installed via "make yes-kokkos" before
LAMMPS is built, and the "-k on" must be used to enable the package.
<DT><I>Package omp command without USER-OMP package installed</I>
<DD>The USER-OMP package must be installed via "make yes-user-omp" before
LAMMPS is built.
<DT><I>Pair body requires atom style body</I>
<DD>Self-explanatory.
<DT><I>Pair body requires body style nparticle</I>
<DD>This pair style is specific to the nparticle body style.
<DT><I>Pair brownian requires atom style sphere</I>
<DT><I>Pair style in data file differs from currently defined pair style</I>
<DD>Self-explanatory.
<DT><I>Particle deposition was unsuccessful</I>
<DD>The fix deposit command was not able to insert as many atoms as
needed. The requested volume fraction may be too high, or other atoms
may be in the insertion region.
<DT><I>Proc sub-domain size < neighbor skin, could lead to lost atoms</I>
<DD>The decomposition of the physical domain (likely due to load
balancing) has led to a processor's sub-domain being smaller than the
neighbor skin in one or more dimensions. Since reneighboring is
triggered by atoms moving the skin distance, this may lead to lost
atoms, if an atom moves all the way across a neighboring processor's
sub-domain before reneighboring is triggered.
<DT><I>Reducing PPPM order b/c stencil extends beyond nearest neighbor processor</I>
<DD>This may lead to a larger grid than desired. See the kspace_modify overlap
command to prevent changing of the PPPM order.
<DT><I>Reducing PPPMDisp Coulomb order b/c stencil extends beyond neighbor processor</I>
<DD>This may lead to a larger grid than desired. See the kspace_modify overlap
command to prevent changing of the PPPM order.
<DT><I>Reducing PPPMDisp dispersion order b/c stencil extends beyond neighbor processor</I>
<DD>This may lead to a larger grid than desired. See the kspace_modify overlap
command to prevent changing of the PPPM order.
<DT><I>Replacing a fix, but new group != old group</I>
<DD>The ID and style of a fix match for a fix you are changing with a fix
command, but the new group you are specifying does not match the old
group.
<DT><I>Replicating in a non-periodic dimension</I>
<DD>The parameters for a replicate command will cause a non-periodic
dimension to be replicated; this may cause unwanted behavior.
<DT><I>Resetting reneighboring criteria during PRD</I>
<DD>A PRD simulation requires that neigh_modify settings be delay = 0,
every = 1, check = yes. Since these settings were not in place,
LAMMPS changed them and will restore them to their original values
after the PRD simulation.
<DT><I>Resetting reneighboring criteria during TAD</I>
<DD>A TAD simulation requires that neigh_modify settings be delay = 0,
every = 1, check = yes. Since these settings were not in place,
LAMMPS changed them and will restore them to their original values
after the PRD simulation.
<DT><I>Resetting reneighboring criteria during minimization</I>
<DD>Minimization requires that neigh_modify settings be delay = 0, every =
1, check = yes. Since these settings were not in place, LAMMPS
changed them and will restore them to their original values after the
minimization.
<DT><I>Restart file used different # of processors</I>
<DD>The restart file was written out by a LAMMPS simulation running on a
different number of processors. Due to round-off, the trajectories of
your restarted simulation may diverge a little more quickly than if
you ran on the same # of processors.
<DT><I>Restart file used different 3d processor grid</I>
<DD>The restart file was written out by a LAMMPS simulation running on a
different 3d grid of processors. Due to round-off, the trajectories
of your restarted simulation may diverge a little more quickly than if
you ran on the same # of processors.
<DT><I>Restart file used different boundary settings, using restart file values</I>
<DD>Your input script cannot change these restart file settings.
<DT><I>Restart file used different newton bond setting, using restart file value</I>
<DD>The restart file value will override the setting in the input script.
<DT><I>Restart file used different newton pair setting, using input script value</I>
<DD>The input script value will override the setting in the restart file.
<DT><I>Restrain problem: %d %ld %d %d %d %d</I>
<DD>Conformation of the 4 listed dihedral atoms is extreme; you may want
to check your simulation geometry.
<DT><I>Running PRD with only one replica</I>
<DD>This is allowed, but you will get no parallel speed-up.
<DT><I>SRD bin shifting turned on due to small lamda</I>
<DD>This is done to try to preserve accuracy.
<DT><I>SRD bin size for fix srd differs from user request</I>
<DD>Fix SRD had to adjust the bin size to fit the simulation box. See the
cubic keyword if you want this message to be an error vs warning.
<DT><I>SRD bins for fix srd are not cubic enough</I>
<DD>The bin shape is not within tolerance of cubic. See the cubic
keyword if you want this message to be an error vs warning.
<DT><I>SRD particle %d started inside big particle %d on step %ld bounce %d</I>
<DD>See the inside keyword if you want this message to be an error vs
warning.
<DT><I>SRD particle %d started inside wall %d on step %ld bounce %d</I>
<DD>See the inside keyword if you want this message to be an error vs
warning.
<DT><I>Shake determinant < 0.0</I>
<DD>The determinant of the quadratic equation being solved for a single
cluster specified by the fix shake command is numerically suspect. LAMMPS
will set it to 0.0 and continue.
<DT><I>Should not allow rigid bodies to bounce off relecting walls</I>
<DD>LAMMPS allows this, but their dynamics are not computed correctly.
<DT><I>Should not use fix nve/limit with fix shake</I>
<DD>This will lead to invalid constraint forces in the SHAKE computation.
<DT><I>Simulations might be very slow because of large number of structure factors</I>
<DD>Self-explanatory.
<DT><I>Slab correction not needed for MSM</I>
<DD>Slab correction is intended to be used with Ewald or PPPM and is not needed by MSM.
<DT><I>System is not charge neutral, net charge = %g</I>
<DD>The total charge on all atoms on the system is not 0.0, which
is not valid for the long-range Coulombic solvers.
<DT><I>Table inner cutoff >= outer cutoff</I>
<DD>You specified an inner cutoff for a Coulombic table that is longer
than the global cutoff. Probably not what you wanted.
<DT><I>Temperature for MSST is not for group all</I>
<DD>User-assigned temperature to MSST fix does not compute temperature for
all atoms. Since MSST computes a global pressure, the kinetic energy
contribution from the temperature is assumed to also be for all atoms.
Thus the pressure used by MSST could be inaccurate.
<DT><I>Temperature for NPT is not for group all</I>
<DD>User-assigned temperature to NPT fix does not compute temperature for
all atoms. Since NPT computes a global pressure, the kinetic energy
contribution from the temperature is assumed to also be for all atoms.
Thus the pressure used by NPT could be inaccurate.
<DT><I>Temperature for fix modify is not for group all</I>
<DD>The temperature compute is being used with a pressure calculation
which does operate on group all, so this may be inconsistent.
<DT><I>Temperature for thermo pressure is not for group all</I>
<DD>User-assigned temperature to thermo via the thermo_modify command does
not compute temperature for all atoms. Since thermo computes a global
pressure, the kinetic energy contribution from the temperature is
assumed to also be for all atoms. Thus the pressure printed by thermo
could be inaccurate.
<DT><I>The fix ave/spatial command has been replaced by the more flexible fix ave/chunk and compute chunk/atom commands -- fix ave/spatial will be removed in the summer of 2015</I>
<DD>Self-explanatory.
<DT><I>The minimizer does not re-orient dipoles when using fix efield</I>
<DD>This means that only the atom coordinates will be minimized,
not the orientation of the dipoles.
<DT><I>Too many common neighbors in CNA %d times</I>
<DD>More than the maximum # of neighbors was found multiple times. This
was unexpected.
<DT><I>Too many inner timesteps in fix ttm</I>
<DD>Self-explanatory.
<DT><I>Too many neighbors in CNA for %d atoms</I>
<DD>More than the maximum # of neighbors was found multiple times. This
was unexpected.
<DT><I>Triclinic box skew is large</I>
<DD>The displacement in a skewed direction is normally required to be less
than half the box length in that dimension. E.g. the xy tilt must be
between -half and +half of the x box length. You have relaxed the
constraint using the box tilt command, but the warning means that a
LAMMPS simulation may be inefficient as a result.
<DT><I>Use special bonds = 0,1,1 with bond style fene</I>
<DD>Most FENE models need this setting for the special_bonds command.
<DT><I>Use special bonds = 0,1,1 with bond style fene/expand</I>
<DD>Most FENE models need this setting for the special_bonds command.
<DT><I>Using a manybody potential with bonds/angles/dihedrals and special_bond exclusions</I>
<DD>This is likely not what you want to do. The exclusion settings will
eliminate neighbors in the neighbor list, which the manybody potential
needs to calculated its terms correctly.
<DT><I>Using compute temp/deform with inconsistent fix deform remap option</I>
<DD>Fix nvt/sllod assumes deforming atoms have a velocity profile provided
by "remap v" or "remap none" as a fix deform option.
<DT><I>Using compute temp/deform with no fix deform defined</I>
<DD>This is probably an error, since it makes little sense to use
compute temp/deform in this case.
<DT><I>Using fix srd with box deformation but no SRD thermostat</I>
<DD>The deformation will heat the SRD particles so this can
be dangerous.
<DT><I>Using kspace solver on system with no charge</I>
<DD>Self-explanatory.
<DT><I>Using largest cut-off for lj/long/dipole/long long long</I>
<DD>Self-explanatory.
<DT><I>Using largest cutoff for buck/long/coul/long</I>
<DD>Self-exlanatory.
<DT><I>Using largest cutoff for lj/long/coul/long</I>
<DD>Self-explanatory.
<DT><I>Using largest cutoff for pair_style lj/long/tip4p/long</I>
<DD>Self-explanatory.
<DT><I>Using package gpu without any pair style defined</I>
<DD>Self-explanatory.
<DT><I>Using pair tail corrections with nonperiodic system</I>
<DD>This is probably a bogus thing to do, since tail corrections are
computed by integrating the density of a periodic system out to