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### 9. Errors

This section describes the various kinds of errors you can encounter when using LAMMPS.

9.1 Common problems
9.2 Reporting bugs
9.3 Error & warning messages

#### 9.1 Common problems

If two LAMMPS runs do not produce the same answer on different machines or different numbers of processors, this is typically not a bug. In theory you should get identical answers on any number of processors and on any machine. In practice, numerical round-off can cause slight differences and eventual divergence of molecular dynamics phase space trajectories within a few 100s or few 1000s of timesteps. However, the statistical properties of the two runs (e.g. average energy or temperature) should still be the same.

If the velocity command is used to set initial atom velocities, a particular atom can be assigned a different velocity when the problem on different machines. Obviously, this means the phase space trajectories of the two simulations will rapidly diverge. See the discussion of the loop option in the velocity command for details.

A LAMMPS simulation typically has two stages, setup and run. Most LAMMPS errors are detected at setup time; others like a bond stretching too far may not occur until the middle of a run.

LAMMPS tries to flag errors and print informative error messages so you can fix the problem. Of course LAMMPS cannot figure out your physics mistakes, like choosing too big a timestep, specifying invalid force field coefficients, or putting 2 atoms on top of each other! If you find errors that LAMMPS doesn't catch that you think it should flag, please send an email to the developers.

If you get an error message about an invalid command in your input script, you can determine what command is causing the problem by looking in the log.lammps file or using the echo command to see it on the screen. For a given command, LAMMPS expects certain arguments in a specified order. If you mess this up, LAMMPS will often flag the error, but it may read a bogus argument and assign a value that is valid, but not what you wanted. E.g. trying to read the string "abc" as an integer value and assigning the associated variable a value of 0.

Generally, LAMMPS will print a message to the screen and exit gracefully when it encounters a fatal error. Sometimes it will print a WARNING and continue on; you can decide if the WARNING is important or not. If LAMMPS crashes or hangs without spitting out an error message first then it could be a bug (see this section) or one of the following cases:

LAMMPS runs in the available memory a processor allows to be allocated. Most reasonable MD runs are compute limited, not memory limited, so this shouldn't be a bottleneck on most platforms. Almost all large memory allocations in the code are done via C-style malloc's which will generate an error message if you run out of memory. Smaller chunks of memory are allocated via C++ "new" statements. If you are unlucky you could run out of memory just when one of these small requests is made, in which case the code will crash or hang (in parallel), since LAMMPS doesn't trap on those errors.

Illegal arithmetic can cause LAMMPS to run slow or crash. This is typically due to invalid physics and numerics that your simulation is computing. If you see wild thermodynamic values or NaN values in your LAMMPS output, something is wrong with your simulation.

In parallel, one way LAMMPS can hang is due to how different MPI implementations handle buffering of messages. If the code hangs without an error message, it may be that you need to specify an MPI setting or two (usually via an environment variable) to enable buffering or boost the sizes of messages that can be buffered.

#### 9.2 Reporting bugs

If you are confident that you have found a bug in LAMMPS, please send an email to the developers.

First, check the "New features and bug fixes" section of the LAMMPS WWW site to see if the bug has already been reported or fixed.

If not, the most useful thing you can do for us is to isolate the problem. Run it on the smallest number of atoms and fewest number of processors and with the simplest input script that reproduces the bug.

In your email, describe the problem and any ideas you have as to what is causing it or where in the code the problem might be. We'll request your input script and data files if necessary.

#### 9.3 Error & warning messages

These are two alphabetic lists of the ERROR and WARNING messages LAMMPS prints out and the reason why. If the explanation here is not sufficient, the documentation for the offending command may help. Grepping the source files for the text of the error message and staring at the source code and comments is also not a bad idea! Note that sometimes the same message can be printed from multiple places in the code.

Also note that error messages from user-contributed packages are not listed here. Is such an error occurs and is not self-explanatory, you'll need to look in the source code or contact the author of the package.

#### Errors:

1-3 bond count is inconsistent
  An inconsistency was detected when computing the number of 1-3 neighbors for each atom. This likely means something is wrong with the bond topologies you have defined.
1-4 bond count is inconsistent
  An inconsistency was detected when computing the number of 1-4 neighbors for each atom. This likely means something is wrong with the bond topologies you have defined.
All angle coeffs are not set
  All angle coefficients must be set in the data file or by the angle_coeff command before running a simulation.
All bond coeffs are not set
  All bond coefficients must be set in the data file or by the bond_coeff command before running a simulation.
All dihedral coeffs are not set
  All dihedral coefficients must be set in the data file or by the dihedral_coeff command before running a simulation.
All dipole moments are not set
  For atom styles that define dipole moments for each atom type, all moments must be set in the data file or by the dipole command before running a simulation.
All improper coeffs are not set
  All improper coefficients must be set in the data file or by the improper_coeff command before running a simulation.
All masses are not set
  For atom styles that define masses for each atom type, all masses must be set in the data file or by the mass command before running a simulation. They must also be set before using the velocity command.
All pair coeffs are not set
  All pair coefficients must be set in the data file or by the pair_coeff command before running a simulation.
All shapes are not set
  All atom types must have a shape setting, even if the particles are spherical.
All universe/uloop variables must have same # of values
  Self-explanatory.
All variables in next command must be same style
  Self-explanatory.
Angle atom missing in delete_bonds
  The delete_bonds command cannot find one or more atoms in a particular angle on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid angle.
Angle atom missing in set command
  The set command cannot find one or more atoms in a particular angle on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid angle.
Angle atoms %d %d %d missing on proc %d at step %d
  One or more of 3 atoms needed to compute a particular angle are missing on this processor. Typically this is because the pairwise cutoff is set too short or the angle has blown apart and an atom is too far away.
Angle coeff for hybrid has invalid style
  Angle style hybrid uses another angle style as one of its coefficients. The angle style used in the angle_coeff command or read from a restart file is not recognized.
Angle coeffs are not set
  No angle coefficients have been assigned in the data file or via the angle_coeff command.
Angle style hybrid cannot have hybrid as an argument
  Self-explanatory.
Angle style hybrid cannot use same angle style twice
  Self-explanatory.
Angle_coeff command before angle_style is defined
  Coefficients cannot be set in the data file or via the angle_coeff command until an angle_style has been assigned.
Angle_coeff command before simulation box is defined
  The angle_coeff command cannot be used before a read_data, read_restart, or create_box command.
Angle_coeff command when no angles allowed
  The chosen atom style does not allow for angles to be defined.
Angle_style command when no angles allowed
  The chosen atom style does not allow for angles to be defined.
Angles assigned incorrectly
  Angles read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions.
Angles defined but no angle types
  The data file header lists angles but no angle types.
Another input script is already being processed
  Cannot attempt to open a 2nd input script, when the original file is still being processed.
Atom IDs must be consecutive for dump dcd
  Self-explanatory.
Atom IDs must be consecutive for dump xtc
  Self-explanatory.
Atom IDs must be consecutive for dump xyz
  Self-explanatory.
Atom count is inconsistent, cannot write restart file
  Sum of atoms across processors does not equal initial total count. This is probably because you have lost some atoms.
Atom in too many rigid bodies - boost MAXBODY
  Fix poems has a parameter MAXBODY (in fix_poems.cpp) which determines the maximum number of rigid bodies a single atom can belong to (i.e. a multibody joint). The bodies you have defined exceed this limit.
Atom style hybrid cannot have hybrid as an argument
  Self-explanatory.
Atom style hybrid cannot use same atom style twice
  Self-explanatory.
Atom_modify command after simulation box is defined
  The atom_modify command cannot be used after a read_data, read_restart, or create_box command.
Atom_style command after simulation box is defined
  The atom_style command cannot be used after a read_data, read_restart, or create_box command.
Attempting to rescale a 0.0 temperature
  Cannot rescale a temperature that is already 0.0.
Bad FENE bond
  Two atoms in a FENE bond have become so far apart that the bond cannot be computed.
Bad grid of processors
  The 3d grid of processors defined by the processors command does not match the number of processors LAMMPS is being run on.
Bad principal moments
  Fix rigid did not compute the principal moments of inertia of a rigid group of atoms correctly.
Bad slab parameter
  Kspace_modify value for the slab/volume keyword must be >= 2.0.
Bitmapped lookup tables require int/float be same size
  Cannot use pair tables on this machine, because of word sizes. Use the pair_modify command with table 0 instead.
Bitmapped table in file does not match requested table
  Setting for bitmapped table in pair_coeff command must match table in file exactly.
Bitmapped table is incorrect length in table file
  Number of table entries is not a correct power of 2.
Bond and angle potentials must be defined for TIP4P
  Cannot use TIP4P pair potential unless bond and angle potentials are defined.
Bond atom missing in delete_bonds
  The delete_bonds command cannot find one or more atoms in a particular bond on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid bond.
Bond atom missing in set command
  The set command cannot find one or more atoms in a particular bond on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid bond.
Bond atoms %d %d missing on proc %d at step %d
  One or more of 2 atoms needed to compute a particular bond are missing on this processor. Typically this is because the pairwise cutoff is set too short or the bond has blown apart and an atom is too far away.
Bond coeff for hybrid has invalid style
  Bond style hybrid uses another bond style as one of its coefficients. The bond style used in the bond_coeff command or read from a restart file is not recognized.
Bond coeffs are not set
  No bond coefficients have been assigned in the data file or via the bond_coeff command.
Bond potential must be defined for SHAKE
  Cannot use fix shake unless bond potential is defined.
Bond style does not support computing per-atom bond energy
  The bond style does not have a single() function, so it can not be used to compute per-atom bond energy.
Bond style hybrid cannot have hybrid as an argument
  Self-explanatory.
Bond style hybrid cannot use same bond style twice
  The sub-style arguments of bond_style hybrid cannot be duplicated. Check the input script.
Bond style quartic cannot be used with 3,4-body interactions
  No angle, dihedral, or improper styles can be defined when using bond style quartic.
Bond_coeff command before bond_style is defined
  Coefficients cannot be set in the data file or via the bond_coeff command until an bond_style has been assigned.
Bond_coeff command before simulation box is defined
  The bond_coeff command cannot be used before a read_data, read_restart, or create_box command.
Bond_coeff command when no bonds allowed
  The chosen atom style does not allow for bonds to be defined.
Bond_style command when no bonds allowed
  The chosen atom style does not allow for bonds to be defined.
Bonds assigned incorrectly
  Bonds read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions.
Bonds defined but no bond types
  The data file header lists bonds but no bond types.
Both sides of boundary must be periodic
  Cannot specify a boundary as periodic only on the lo or hi side. Must be periodic on both sides.
Boundary command after simulation box is defined
  The boundary command cannot be used after a read_data, read_restart, or create_box command.
Box bounds are invalid
  The box boundaries specified in the read_data file are invalid. The lo value must be less than the hi value for all 3 dimensions.
Can only wiggle zcylinder wall in z dim
  The Self-explanatory.
Cannot (yet) use PPPM with triclinic box
  This feature is not yet supported.
Cannot build parse tree for variable that is not atom style
  Only atom style variables can be evaluated once per atom.
Cannot change box to orthogonal when tilt is non-zero
  Self-explanatory
Cannot change box with certain fixes defined
  The change_box command cannot be used when fix ave/spatial or fix/deform are defined .
Cannot change box with dumps defined
  Self-explanatory.
Cannot change dump_modify every for dump dcd
  The frequency of writing dump dcd snapshots cannot be changed.
Cannot compute PPPM G
  LAMMPS failed to compute a valid approximation for the PPPM g_ewald factor that partitions the computation between real space and k-space.
Cannot compute PPPM X grid spacing
  LAMMPS failed to compute a valid PPPM grid spacing in the x dimension.
Cannot compute PPPM Y grid spacing
  LAMMPS failed to compute a valid PPPM grid spacing in the y dimension.
Cannot compute PPPM Z grid spacing
  LAMMPS failed to compute a valid PPPM grid spacing in the z dimension.
Cannot create an atom map unless atoms have IDs
  The simulation requires a mapping from global atom IDs to local atoms, but the atoms that have been defined have no IDs.
Cannot create atoms with undefined lattice
  Must use the lattice command before using the create_atoms command.
Cannot create_box after simulation box is defined
  The create_box command cannot be used after a read_data, read_restart, or create_box command.
Cannot displace_box on a non-periodic boundary
  Self-explantory.
Cannot dump scaled coords with triclinic box
  Use dump custom with x,y,z instead.
Cannot evaluate variable
  Self-explanatory.
Cannot find delete_bonds group ID
  Group ID used in the delete_bonds command does not exist.
Cannot fix deform on a non-periodic boundary
  Only a periodiic boundary can be modified.
Cannot have both pair_modify shift and tail set to yes
  These 2 options are contradictory.
Cannot open AIREBO potential file %s
  Self-explanatory.
Cannot open EAM potential file %s
  The specified EAM potential file cannot be opened. Check that the path and name are correct.
Cannot open MEAM potential file %s
  The specified MEAM potential file cannot be opened. Check that the path and name are correct.
Cannot open Stillinger-Weber potential file %s
  The specified SW potential file cannot be opened. Check that the path and name are correct.
Cannot open Tersoff potential file %s
  The specified Tersoff potential file cannot be opened. Check that the path and name are correct.
Cannot open dir to search for restart file
  Using a "*" in the name of the restart file will open the current directory to search for matching file names.
Cannot open dump file
  The output file for the dump command cannot be opened. Check that the path and name are correct.
Cannot open file %s
  The specified file cannot be opened. Check that the path and name are correct.
Cannot open fix ave/spatial file %s
  Self-explanatory.
Cannot open fix ave/time file %s
  Self-explanatory.
Cannot open fix com file %s
  The output file for the fix com command cannot be opened. Check that the path and name are correct.
Cannot open fix gran/diag file %s
  The output file for the fix gran/diag command cannot be opened. Check that the path and name are correct.
Cannot open fix gyration file %s
  Self-explanatory.
Cannot open fix msd file %s
  The output file for the fix msd command cannot be opened. Check that the path and name are correct.
Cannot open fix poems file %s
  The specified file cannot be opened. Check that the path and name are correct.
Cannot open fix rdf file %s
  The output file for the fix rdf command cannot be opened. Check that the path and name are correct.
Cannot open fix tmd file %s
  The output file for the fix tmd command cannot be opened. Check that the path and name are correct.
Cannot open gzipped file
  LAMMPS is attempting to open a gzipped version of the specified file but was unsuccessful. Check that the path and name are correct.
Cannot open input script %s
  Self-explanatory.
Cannot open input script %s
  Self-explanatory.
Cannot open log.lammps
  The default LAMMPS log file cannot be opened. Check that the directory you are running in allows for files to be created.
Cannot open logfile %s
  The LAMMPS log file specified in the input script cannot be opened. Check that the path and name are correct.
Cannot open logfile
  The LAMMPS log file named in a command-line argument cannot be opened. Check that the path and name are correct.
Cannot open pair_write file
  The specified output file for pair energies and forces cannot be opened. Check that the path and name are correct.
Cannot open restart file %s
  Self-explanatory.
Cannot open screen file
  The screen file specified as a command-line argument cannot be opened. Check that the directory you are running in allows for files to be created.
Cannot open universe log file
  For a multi-partition run, the master log file cannot be opened. Check that the directory you are running in allows for files to be created.
Cannot open universe screen file
  For a multi-partition run, the master screen file cannot be opened. Check that the directory you are running in allows for files to be created.
Cannot read_data after simulation box is defined
  The read_data command cannot be used after a read_data, read_restart, or create_box command.
Cannot read_restart after simulation box is defined
  The read_restart command cannot be used after a read_data, read_restart, or create_box command.
Cannot redefine variable as a different style
  An equal-style variable can be re-defined but only if it was originally an equal-style variable.
Cannot replicate 2d simulation in z dimension
  The replicate command cannot replicate a 2d simulation in the z dimension.
Cannot replicate with fixes that store atom quantities
  Either fixes are defined that create and store atom-based vectors or a restart file was read which included atom-based vectors for fixes. The replicate command cannot duplicate that information for new atoms. You should use the replicate command before fixes are applied to the system.
Cannot run 2d simulation with nonperiodic Z dimension
  Use the boundary command to make the z dimension periodic in order to run a 2d simulation.
Cannot set both respa pair and inner/middle/outer
  In the rRESPA integrator, you must compute pairwise potentials either all together (pair), or in pieces (inner/middle/outer). You can't do both.
Cannot set dipole for this atom style
  This atom style does not support dipole settings for each atom type.
Cannot set dump_modify flush for dump xtc
  Self-explanatory.
Cannot set mass for this atom style
  This atom style does not support mass settings for each atom type. Instead they are defined on a per-atom basis in the data file.
Cannot set respa middle without inner/outer
  In the rRESPA integrator, you must define both a inner and outer setting in order to use a middle setting.
Cannot set shape for this atom style
  The atom style does not support this setting.
Cannot set this attribute for this atom style
  The attribute being set does not exist for the defined atom style.
Cannot skew triclinic box in z for 2d simulation
  Self-explanatory.
Cannot use Ewald with 2d simulation
  The kspace style ewald cannot be used in 2d simulations. You can use 2d Ewald in a 3d simulation; see the kspace_modify command.
Cannot use Ewald with triclinic box
  This feature is not yet supported.
Cannot use PPPM with 2d simulation
  The kspace style pppm cannot be used in 2d simulations. You can use 2d PPPM in a 3d simulation; see the kspace_modify command.
Cannot use atom vector in variable unless atom map exists
  Atom vectors require the ability to lookup an atom index, which is provided by an atom map. An atom map does not exist (by default) for non-molecular problems. Using the atom_modify map command will force an atom map to be created.
Cannot use fix tmd unless atom map exists
  TMD requires the ability to lookup an atom index, which is provided by an atom map. An atom map does not exist (by default) for non-molecular problems. Using the atom_modify map command will force an atom map to be created.
Cannot use both region, partial options in fix temp/rescale
  Self-explanatory.
Cannot use delete_atoms unless atoms have IDs
  Your atoms do not have IDs, so the delete_atoms command cannot be used.
Cannot use delete_bonds with non-molecular system
  Your choice of atom style does not have bonds.
Cannot use dump bond with non-molecular system
  Your choice of atom style does not have bonds.
Cannot use fix deform trate on a box with zero tilt
  The trate style alters the current strain.
Cannot use fix langevin without per-type mass defined
  Some atom styles use a per-atom mass which is incompatible with fix langevin.
Cannot use fix nph on a non-periodic dimension
  Only periodic dimensions can be controlled with this fix.
Cannot use fix nph with triclinic box
  This feature is not yet supported.
Cannot use fix nph without per-type mass defined
  The defined atom style uses per-atom mass, not per-type mass.
Cannot use fix npt on a non-periodic dimension
  Only periodic dimensions can be controlled with this fix.
Cannot use fix npt with triclinic box
  This feature is not yet supported.
Cannot use fix npt without per-type mass defined
  The defined atom style uses per-atom mass, not per-type mass.
Cannot use fix nvt without per-type mass defined
  The defined atom style uses per-atom mass, not per-type mass.
Cannot use fix pour with triclinic box
  This feature is not yet supported.
Cannot use fix shake with non-molecular system
  Your choice of atom style does not have bonds.
Cannot use kspace solver on system with no charge
  No atoms in system have a non-zero charge.
Cannot use neighbor bins - box size << cutoff
  Too many neighbor bins will be created. This typically happens when the simulation box is very small in some dimension, compared to the neighbor cutoff. Use the "nsq" style instead of "bin" style.
Cannot use nonperiodic boundaries with Ewald
  For kspace style ewald, all 3 dimensions must have periodic boundaries unless you use the kspace_modify command to define a 2d slab with a non-periodic z dimension.
Cannot use nonperiodic boundaries with PPPM
  For kspace style pppm, All 3 dimensions must have periodic boundaries unless you use the kspace_modify command to define a 2d slab with a non-periodic z dimension.
Cannot use pair tail corrections with 2d simulations
  The correction factors are only currently defined for 3d systems.
Cannot use region INF or EDGE when box does not exist
  Regions that extend to the box boundaries can only be used after the create_box command has been used.
Cannot use set atom with no atom IDs defined
  Atom IDs are not defined, so they cannot be used to identify an atom.
Cannot use velocity create loop all unless atoms have IDs
  Atoms in the simulation to do not have IDs, so this style of velocity creation cannot be performed.
Cannot use velocity create loop all with non-contiguous atom IDs
  Atoms in the simulation to do not have consecutive IDs, so this style of velocity creation cannot be performed.
Cannot use wall in periodic dimension
  Self-explanatory.
Cannot zero momentum of 0 atoms
  The collection of atoms for which momentum is being computed has no atoms.
Change_box command before simulation box is defined
  Self-explanatory.
Change_box operation is invalid
  Cannot change orthogonal box to orthogonal or a triclinic box to triclinic.
Compute ID for fix ave/atom does not exist
  Self-explanatory.
Compute ID for fix ave/spatial does not exist
  Self-explanatory.
Compute ID for fix ave/time does not exist
  Self-explanatory.
Compute coord/atom cutoff is longer than pairwise cutoff
  Cannot compute coordination at distances longer than the pair cutoff, since those atoms are not in the neighbor list.
Compute pressure must use group all
  Self-explanatory.
Compute pressure temp ID does not compute temperature
  The compute ID assigned to a pressure computation must compute temperature.
Compute rotate/dipole requires atom attributes dipole, omega
  The atom style defined does not have these attributes.
Compute sum/atom compute does not compute vector per atom
  If one compute in list calculates a vector, all of them must.
Compute temp/asphere requires atom attributes quat, angmom
  The atom style defined does not have these attributes.
Compute temp/dipole requires atom attributes omega, shape
  The atom style defined does not have these attributes.
Could not create 3d FFT plan
  The FFT setup in pppm failed.
Could not create 3d remap plan
  The FFT setup in pppm failed.
Could not find compute ID to delete
  Self-explanatory.
Could not find compute group ID
  Self-explanatory.
Could not find compute pressure temp ID
  The compute ID for calculating temperature does not exist.
Could not find compute sum/atom pre-compute ID
  The compute ID for calculating the requested per-atom quantity does not exist.
Could not find compute variable name
  The variable being used by a compute is not defined.
Could not find compute variable name
  The variable name accessed by compute variable/atom does not exist.
Could not find compute_modify ID
  Self-explanatory.
Could not find delete_atoms group ID
  Group ID used in the delete_atoms command does not exist.
Could not find delete_atoms region ID
  Region ID used in the delete_atoms command does not exist.
Could not find displace_atoms group ID
  A group ID used in the displace_atoms command does not exist.
Could not find displace_box group ID
  Self-explanatory.
Could not find dump custom compute ID
  The compute ID needed by dump custom to compute a per-atom quantity does not exist.
Could not find dump custom fix ID
  Self-explanatory.
Could not find dump group ID
  A group ID used in the dump command does not exist.
Could not find fix ID to delete
  Self-explanatory.
Could not find fix group ID
  A group ID used in the fix command does not exist.
Could not find fix poems group ID
  A group ID used in the fix poems command does not exist.
Could not find fix recenter group ID
  A group ID used in the fix recenter command does not exist.
Could not find fix rigid group ID
  A group ID used in the fix rigid command does not exist.
Could not find fix spring couple group ID
  Self-explanatory.
Could not find fix_modify ID
  A fix ID used in the fix_modify command does not exist.
Could not find fix_modify press ID
  The compute ID for computing pressure does not exist.
Could not find fix_modify temp ID
  The compute ID for computing temperature does not exist.
Could not find set group ID
  Group ID specified in set command does not exist.
Could not find thermo compute ID
  Compute ID specified in thermo_style command does not exist.
Could not find thermo custom compute ID
  The compute ID needed by thermo style custom to compute a requested quantity does not exist.
Could not find thermo custom fix ID
  The fix ID needed by thermo style custom to compute a requested quantity does not exist.
Could not find thermo custom variable ID
  The variable name needed by thermo style custom to compute a requested quantity does not exist.
Could not find thermo fix ID
  Fix ID specified in thermo_style command does not exist.
Could not find thermo_modify drot ID
  The compute ID needed by thermo style custom to compute rotational energy of dipolar atoms does not exist.
Could not find thermo_modify grot ID
  The compute ID needed by thermo style custom to compute rotational energy of granular atoms does not exist.
Could not find thermo_modify press ID
  The compute ID needed by thermo style custom to compute pressure does not exist.
Could not find thermo_modify temp ID
  The compute ID needed by thermo style custom to compute temperature does not exist.
Could not find undump ID
  A dump ID used in the undump command does not exist.
Could not find velocity group ID
  A group ID used in the velocity command does not exist.
Could not find velocity temp ID
  The compute ID needed by the velocity command to compute temperature does not exist.
Could not pre-compute in variable
  A compute required to evaulate a variable does not have its pre-compute defined.
Coulomb cutoffs of pair hybrid sub-styles do not match
  If using a Kspace solver, all Coulomb cutoffs of long pair styles must be the same.
Cound not find dump_modify ID
  Self-explanatory.
Create_atoms command before simulation box is defined
  The create_atoms command cannot be used before a read_data, read_restart, or create_box command.
Create_atoms region ID does not exist
  A region ID used in the create_atoms command does not exist.
Create_box region ID does not exist
  A region ID used in the create_box command does not exist.
Create_box region must be of type inside
  The region used in the create_box command must not be an "outside" region. See the region command for details.
Cyclic loop in joint connections
  Fix poems cannot (yet) work with coupled bodies whose joints connect the bodies in a ring (or cycle).
Degenerate lattice primitive vectors
  Invalid set of 3 lattice vectors for lattice command.
Delete_atoms command before simulation box is defined
  The delete_atoms command cannot be used before a read_data, read_restart, or create_box command.
Delete_atoms cutoff > ghost cutoff
  Cannot delete atoms further away than a processor knows about.
Delete_bonds command before simulation box is defined
  The delete_bonds command cannot be used before a read_data, read_restart, or create_box command.
Delete_bonds command with no atoms existing
  No atoms are yet defined so the delete_bonds command cannot be used.
Deposition region extends outside simulation box
  Self-explatory.
Did not assign all atoms correctly
  Atoms read in from a data file were not assigned correctly to processors. This is likely due to some atom coordinates being outside a non-periodic simulation box.
Did not find all elements in MEAM library file
  The requested elements were not found in the MEAM file.
Did not find fix shake partner info
  Could not find bond partners implied by fix shake command. This error can be triggered if the delete_bonds command was used before fix shake, and it removed bonds without resetting the 1-2, 1-3, 1-4 weighting list via the special keyword.
Did not find keyword in table file
  Keyword used in pair_coeff command was not found in table file.
Dihedral atom missing in delete_bonds
  The delete_bonds command cannot find one or more atoms in a particular dihedral on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid dihedral.
Dihedral atom missing in set command
  The set command cannot find one or more atoms in a particular dihedral on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid dihedral.
Dihedral atoms %d %d %d %d missing on proc %d at step %d
  One or more of 4 atoms needed to compute a particular dihedral are missing on this processor. Typically this is because the pairwise cutoff is set too short or the dihedral has blown apart and an atom is too far away.
Dihedral charmm is incompatible with Pair style
  Dihedral style charmm must be used with a pair style charmm in order for the 1-4 epsilon/sigma parameters to be defined.
Dihedral coeff for hybrid has invalid style
  Dihedral style hybrid uses another dihedral style as one of its coefficients. The dihedral style used in the dihedral_coeff command or read from a restart file is not recognized.
Dihedral coeffs are not set
  No dihedral coefficients have been assigned in the data file or via the dihedral_coeff command.
Dihedral style hybrid cannot have hybrid as an argument
  Self-explanatory.
Dihedral style hybrid cannot use same dihedral style twice
  Self-explanatory.
Dihedral_coeff command before dihedral_style is defined
  Coefficients cannot be set in the data file or via the dihedral_coeff command until an dihedral_style has been assigned.
Dihedral_coeff command before simulation box is defined
  The dihedral_coeff command cannot be used before a read_data, read_restart, or create_box command.
Dihedral_coeff command when no dihedrals allowed
  The chosen atom style does not allow for dihedrals to be defined.
Dihedral_style command when no dihedrals allowed
  The chosen atom style does not allow for dihedrals to be defined.
Dihedrals assigned incorrectly
  Dihedrals read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions.
Dihedrals defined but no dihedral types
  The data file header lists dihedrals but no dihedral types.
Dimension command after simulation box is defined
  The dimension command cannot be used after a read_data, read_restart, or create_box command.
Dipole command before simulation box is defined
  The dipole command cannot be used before a read_data, read_restart, or create_box command.
Displace_atoms command before simulation box is defined
  The displace_atoms command cannot be used before a read_data, read_restart, or create_box command.
Displace_box command before simulation box is defined
  Self-explanatory.
Displace_box tilt factors require triclinic box
  Cannot use tilt factors unless the simulation box is non-orthogonal.
Domain too large for neighbor bins
  The domain has become extremely large so that neighbor bins cannot be used. Most likely, one or more atoms have been blown out of the simulation box to a great distance.
Dump custom and fix not computed at compatible times
  The fix must produce per-atom quantities on timesteps that dump custom needs them.
Dump custom compute ID does not compute peratom info
  The compute ID used must compute peratom info, not a global scalar or vector quantity.
Dump custom compute ID does not compute scalar per atom
  The compute ID used must compute a single peratom datum.
Dump custom compute ID does not compute vector per atom
  The compute ID used must compute a vector of peratom data.
Dump custom compute ID vector is not large enough
  The compute ID vector of peratom data is not as large as is being accessed.
Dump custom fix ID does not compute peratom info
  The specified fix does not calculate per-atom values.
Dump custom fix ID does not compute scalar per atom
  The dump custom command is attempting to access a scalar quantity.
Dump custom fix ID does not compute vector per atom
  The dump custom command is attempting to access a vector quantity.
Dump custom fix ID vector is not large enough
  The dump custom command is attempting to access an out-of-range vector value.
Dump dcd must use group all
  Self-explanatory.
Dump dcd of non-matching # of atoms
  Every snapshot written by dump dcd must contain the same # of atoms.
Dump xtc must use group all
  Self-explanatory.
Dump xtc must use group all
  Self-explanatory.
Dump_modify region ID does not exist
  Self-explanatory.
Dumping an atom quantity that isn't allocated
  The chosen atom style does not define the per-atom vector being dumped.
Failed to allocate %d bytes for array %s
  Your LAMMPS simulation has run out of memory. You need to run a smaller simulation or on more processors.
Failed to reallocate %d bytes for array %s
  Your LAMMPS simulation has run out of memory. You need to run a smaller simulation or on more processors.
Final box dimension due to fix deform is < 0.0
  Self-explanatory.
Fix ID for fix ave/spatial does not exist
  Self-explanatory.
Fix ave/atom cannot be started on this timestep
  The first timestep on which data needs to be accumulated for the average is before the current timestep.
Fix ave/atom compute does not calculate per-atom info
  The specified compute does not calculate per-atom values.
Fix ave/spatial and fix not computed at compatible times
  The fix must produce per-atom quantities on timesteps that fix ave/spatial needs them.
Fix ave/spatial cannot be started on this timestep
  The first timestep on which data needs to be accumulated for the average is before the current timestep.
Fix ave/spatial compute does not calculate per-atom info
  Only computes that calculate a per-atom quantity (not a scalar or vector quantity can be used with fix ave/spatial.
Fix ave/spatial fix does not calculate per-atom info
  The specified fix does not calculate per-atom values.
Fix ave/spatial for triclinic boxes requires units reduced
  Self-explanatory.
Fix ave/time cannot be started on this timestep
  The first timestep on which data needs to be accumulated for the average is before the current timestep.
Fix ave/time compute does not calculate a scalar
  Only computes that calculate a scalar or vector quantity (not a per-atom quantity) can be used with fix ave/time.
Fix ave/time compute does not calculate a vector
  Only computes that calculate a scalar or vector quantity (not a per-atom quantity) can be used with fix ave/time.
Fix command before simulation box is defined
  The fix command cannot be used before a read_data, read_restart, or create_box command.
Fix deform is changing yz by too much with changing xy
  When both yz and xy are changing, it induces changes in xz if the box must flip from one tilt extreme to another. Thus it is not allowed for yz to grow so much that a flip is induced.
Fix deform tilt factors require triclinic box
  Cannot deform the tilt factors of a simulation box unless it is a triclinic (non-orthogonal) box.
Fix deform volume setting is invalid
  Cannot use volume style unless other dimensions are being controlled.
Fix deposit region ID does not exist
  Self-explanatory
Fix freeze requires atom attribute torque
  The atom style defined does not have this attribute.
Fix gran/diag is incompatible with Pair style
  Must use atom style granular.
Fix gran/diag requires atom attributes radius, rmass, omega
  The atom style defined does not have these attributes.
Fix heat group has no atoms
  Self-explanatory.
Fix langevin period must be > 0.0
  The time window for temperature relaxation must be > 0
Fix langevin region ID does not exist
  Self-explanatory.
Fix momentum group has no atoms
  Self-explanatory.
Fix msd group has no atoms
  Cannot compute diffusion for no atoms.
Fix nph periods must be > 0.0
  The time window for pressure relaxation must be > 0
Fix npt periods must be > 0.0
  The time window for temperature or pressure relaxation must be > 0
Fix nvt period must be > 0.0
  The time window for temperature relaxation must be > 0
Fix orient/fcc file open failed
  The fix orient/fcc command could not open a specified file.
Fix orient/fcc file read failed
  The fix orient/fcc command could not read the needed parameters from a specified file.
Fix orient/fcc found self twice
  The neighbor lists used by fix orient/fcc are messed up. If this error occurs, it is likely a bug, so send an email to the developers.
Fix pour region ID does not exist
  Self-explanatory.
Fix pour requires atom attributes radius, rmass
  The atom style defined does not have these attributes.
Fix rdf requires a pair style be defined
  Cannot use the rdf fix unless a pair style with a cutoff has been defined.
Fix recenter group has no atoms
  Self-explanatory.
Fix shake cannot be used with minimization
  Cannot use fix shake while doing an energy minimization since it turns off bonds that should contribute to the energy.
Fix temp/rescale region ID does not exist
  Self-explanatory.
Fix tmd must come after integration fixes
  Any fix tmd command must appear in the input script after all time integration fixes (nve, nvt, npt). See the fix tmd documentation for details.
Fix wall/gran is incompatible with Pair style
  Must use a granular pair style to define the parameters needed for this fix.
Fix wall/gran requires atom attributes radius, omega, torque
  The atom style defined does not have these attributes.
Fix_modify press ID does not compute pressure
  The compute ID assigned to the fix must compute pressure.
Fix_modify temp ID does not compute temperature
  The compute ID assigned to the fix must compute temperature.
Found no restart file matching pattern
  When using a "*" in the restart file name, no matching file was found.
Granular pair styles do not use pair_coeff settings
  The pair_coeff command cannot be used with granular force fields.
Gravity must point in -y to use with fix pour in 2d
  Gravity must be pointing "down" in a 2d box.
Gravity must point in -z to use with fix pour in 3d
  Gravity must be pointing "down" in a 3d box, i.e. theta = 180.0.
Group ID does not exist
  A group ID used in the group command does not exist.
Group command before simulation box is defined
  The group command cannot be used before a read_data, read_restart, or create_box command.
Group region ID does not exist
  A region ID used in the group command does not exist.
Illegal ... command
  ** DELETE_POSSIBLE Self-explanatory. Check the input script syntax and compare to the documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line.
Illegal Stillinger-Weber parameter
  One or more of the coefficients defined in the potential file is invalid.
Illegal Tersoff parameter
  One or more of the coefficients defined in the potential file is invalid.
Illegal fix heat attempt
  The velocity rescaling about to be performed by fix heat is invalid.
Illegal simulation box
  The lower bound of the simulation box is greater than the upper bound.
Improper atom missing in delete_bonds
  The delete_bonds command cannot find one or more atoms in a particular improper on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid improper.
Improper atom missing in set command
  The set command cannot find one or more atoms in a particular improper on a particular processor. The pairwise cutoff is too short or the atoms are too far apart to make a valid improper.
Improper atoms %d %d %d %d missing on proc %d at step %d
  One or more of 4 atoms needed to compute a particular improper are missing on this processor. Typically this is because the pairwise cutoff is set too short or the improper has blown apart and an atom is too far away.
Improper coeff for hybrid has invalid style
  Improper style hybrid uses another improper style as one of its coefficients. The improper style used in the improper_coeff command or read from a restart file is not recognized.
Improper coeffs are not set
  No improper coefficients have been assigned in the data file or via the improper_coeff command.
Improper style hybrid cannot have hybrid as an argument
  Self-explanatory.
Improper style hybrid cannot use same improper style twice
  Self-explanatory.
Improper_coeff command before improper_style is defined
  Coefficients cannot be set in the data file or via the improper_coeff command until an improper_style has been assigned.
Improper_coeff command before simulation box is defined
  The improper_coeff command cannot be used before a read_data, read_restart, or create_box command.
Improper_coeff command when no impropers allowed
  The chosen atom style does not allow for impropers to be defined.
Improper_style command when no impropers allowed
  The chosen atom style does not allow for impropers to be defined.
Impropers assigned incorrectly
  Impropers read in from the data file were not assigned correctly to atoms. This means there is something invalid about the topology definitions.
Impropers defined but no improper types
  The data file header lists improper but no improper types.
Inconsistent sizes of compute sum/atom compute vectors
  All vectors of the computes in the list must be the same length.
Incorrect args for angle coefficients
  Self-explanatory. Check the input script or data file.
Incorrect args for bond coefficients
  Self-explanatory. Check the input script or data file.
Incorrect args for dihedral coefficients
  Self-explanatory. Check the input script or data file.
Incorrect args for improper coefficients
  Self-explanatory. Check the input script or data file.
Incorrect args for pair coefficients
  Self-explanatory. Check the input script or data file.
Incorrect args in pair_style command
  Self-explanatory.
Incorrect atom format in data file
  Number of values per atom line in the data file is not consistent with the atom style.
Incorrect boundaries with slab Ewald
  Must have periodic x,y dimensions and non-periodic z dimension to use 2d slab option with Ewald.
Incorrect boundaries with slab PPPM
  Must have periodic x,y dimensions and non-periodic z dimension to use 2d slab option with PPPM.
Incorrect element names in EAM potential file
  The element names in the EAM file do not match those requested.
Incorrect format in MEAM potential file
  Incorrect number of words per line in the potential file.
Incorrect format in Stillinger-Weber potential file
  Incorrect number of words per line in the potential file.
Incorrect format in TMD target file
  Format of file read by fix tmd command is incorrect.
Incorrect format in Tersoff potential file
  Incorrect number of words per line in the potential file.
Incorrect multiplicity arg for dihedral coefficients
  Self-explanatory. Check the input script or data file.
Incorrect sign arg for dihedral coefficients
  Self-explanatory. Check the input script or data file.
Incorrect velocity format in data file
  Each atom style defines a format for the Velocity section of the data file. The read-in lines do not match.
Incorrect weight arg for dihedral coefficients
  Self-explanatory. Check the input script or data file.
Induced tilt by displace_box is too large
  The final tilt value must be between -1/2 and 1/2 of the perpendicular box length.
Input line too long after variable substitution
  This is a hard (very large) limit defined in the input.cpp file.
Input line too long: %s
  This is a hard (very large) limit defined in the input.cpp file.
Insertion region extends outside simulation box
  Region specified with fix insert command extends outside the global simulation box.
Insufficient Jacobi rotations for POEMS body
  Eigensolve for rigid body was not sufficiently accurate.
Insufficient Jacobi rotations for rigid body
  Eigensolve for rigid body was not sufficiently accurate.
Invalid angle style
  The choice of angle style is unknown.
Invalid angle type in Angles section of data file
  Angle type must be positive integer and within range of specified angle types.
Invalid angle type index for fix shake
  Self-explanatory.
Invalid atom ID in Angles section of data file
  Atom IDs must be positive integers and within range of defined atoms.
Invalid atom ID in Atoms section of data file
  Atom IDs must be positive integers.
Invalid atom ID in Bonds section of data file
  Atom IDs must be positive integers and within range of defined atoms.
Invalid atom ID in Dihedrals section of data file
  Atom IDs must be positive integers and within range of defined atoms.
Invalid atom ID in Impropers section of data file
  Atom IDs must be positive integers and within range of defined atoms.
Invalid atom ID in Velocities section of data file
  Atom IDs must be positive integers and within range of defined atoms.
Invalid atom mass for fix shake
  Mass specified in fix shake command must be > 0.0.
Invalid atom style
  The choice of atom style is unknown.
Invalid atom type in Atoms section of data file
  Atom types must range from 1 to specified # of types.
Invalid atom type in create_atoms command
  The create_box command specified the range of valid atom types. An invalid type is being requested.
Invalid atom type in neighbor exclusion list
  Atom types must range from 1 to Ntypes inclusive.
Invalid atom type index for fix shake
  Atom types must range from 1 to Ntypes inclusive.
Invalid atom types in fix rdf command
  Atom types must range from 1 to Ntypes inclusive.
Invalid atom types in pair_write command
  Atom types must range from 1 to Ntypes inclusive.
Invalid atom vector in variable
  An atom vector specified in a variable definition is not recognized.
Invalid bond style
  The choice of bond style is unknown.
Invalid bond type in Bonds section of data file
  Bond type must be positive integer and within range of specified bond types.
Invalid bond type index for fix shake
  Self-explanatory. Check the fix shake command in the input script.
Invalid coeffs for this angle style
  Cannot set class 2 coeffs in data file for this angle style.
Invalid coeffs for this dihedral style
  Cannot set class 2 coeffs in data file for this dihedral style.
Invalid coeffs for this improper style
  Cannot set class 2 coeffs in data file for this improper style.
Invalid command-line argument
  One or more command-line arguments is invalid. Check the syntax of the command you are using to launch LAMMPS.
Invalid compute ID in variable
  A compute specified in a variable definition is not defined.
Invalid compute ID index in variable
  The argument index of a compute specified in a variable definition is not valid.
Invalid compute style
  Self-explanatory.
Invalid cutoffs in pair_write command
  Inner cutoff must be larger than 0.0 and less than outer cutoff.
Invalid d1 or d2 value for pair colloid coeff
  Neither d1 or d2 can be < 0.
Invalid data file section: Angle Coeffs
  Atom style does not allow angles.
Invalid data file section: AngleAngle Coeffs
  Atom style does not allow impropers.
Invalid data file section: AngleAngleTorsion Coeffs
  Atom style does not allow dihedrals.
Invalid data file section: AngleTorsion Coeffs
  Atom style does not allow dihedrals.
Invalid data file section: Angles
  Atom style does not allow angles.
Invalid data file section: Bond Coeffs
  Atom style does not allow bonds.
Invalid data file section: BondAngle Coeffs
  Atom style does not allow angles.
Invalid data file section: BondBond Coeffs
  Atom style does not allow angles.
Invalid data file section: BondBond13 Coeffs
  Atom style does not allow dihedrals.
Invalid data file section: Bonds
  Atom style does not allow bonds.
Invalid data file section: Dihedral Coeffs
  Atom style does not allow dihedrals.
Invalid data file section: Dihedrals
  Atom style does not allow dihedrals.
Invalid data file section: EndBondTorsion Coeffs
  Atom style does not allow dihedrals.
Invalid data file section: Improper Coeffs
  Atom style does not allow impropers.
Invalid data file section: Impropers
  Atom style does not allow impropers.
Invalid data file section: MiddleBondTorsion Coeffs
  Atom style does not allow dihedrals.
Invalid dihedral style
  The choice of dihedral style is unknown.
Invalid dihedral type in Dihedrals section of data file
  Dihedral type must be positive integer and within range of specified dihedral types.
Invalid dump dcd filename
  Filenames used with the dump dcd style cannot be binary or compressed or cause multiple files to be written.
Invalid dump frequency
  Dumps frequency must be 1 or greater.
Invalid dump style
  The choice of dump style is unknown.
Invalid dump xtc filename
  Filenames used with the dump xtc style cannot be binary or compressed or cause multiple files to be written.
Invalid dump xyz filename
  Filenames used with the dump xyz style cannot be binary or cause files to be written by each processor.
Invalid dump_modify threshhold operator
  Operator keyword used for threshhold specification in not recognized.
Invalid fix nph command for a 2d simulation
  Cannot use style xy, yz, or xz for a 2d simulation.
Invalid fix npt command for a 2d simulation
  Cannot use style xy, yz, or xz for a 2d simulation.
Invalid fix style
  The choice of fix style is unknown.
Invalid flag in force field section of restart file
  Unrecognized entry in restart file.
Invalid flag in header section of restart file
  Unrecognized entry in restart file.
Invalid flag in type arrays section of restart file
  Unrecognized entry in restart file.
Invalid frequency in temper command
  Nevery must be > 0.
Invalid group ID in neigh_modify command
  A group ID used in the neigh_modify command does not exist.
Invalid improper style
  The choice of improper style is unknown.
Invalid improper type in Impropers section of data file
  Improper type must be positive integer and within range of specified improper types.
Invalid keyword in dump custom command
  One or more attribute keywords are not recognized.
Invalid keyword in pair table parameters
  Keyword used in list of table parameters is not recognized.
Invalid keyword in thermo_style custom command
  One or more specified keywords are not recognized.
Invalid kspace style
  The choice of kspace style is unknown.
Invalid mass line in data file
  Self-explanatory.
Invalid math/group function in variable
  Self-explanatory.
Invalid natoms for dump dcd
  Natoms is initially 0 which is not valid for the dump dcd style. Natoms must be constant for the duration of the simulation.
Invalid natoms for dump xtc
  Natoms is initially 0 which is not valid for the dump xtc style.
Invalid natoms for dump xyz
  Natoms is initially 0 which is not valid for the dump xyz style.
Invalid option in lattice command for non-custom style
  Certain lattice keywords are not supported unless the lattice style is "custom".
Invalid order of forces within respa levels
  For respa, ordering of force computations within respa levels must obey certain rules. E.g. bonds cannot be compute less frequently than angles, pairwise forces cannot be computed less frequently than kspace, etc.
Invalid pair style
  The choice of pair style is unknown.
Invalid pair table cutoff
  Cutoffs in pair_coeff command are not valid with read-in pair table.
Invalid pair table length
  Length of read-in pair table is invalid
Invalid random number seed in set command
  Random number seed must be > 0.
Invalid region style
  The choice of region style is unknown.
Invalid seed for Park random # generator
  The random number generator cannot be given a seed <= 0.
Invalid shape line in data file
  Self-explanatory.
Invalid shape line in data file
  Self-explanatory.
Invalid style in pair_write command
  Self-explanatory. Check the input script.
Invalid thermo keyword in variable
  Self-explanatory.
Invalid type for dipole set
  Dipole command must set a type from 1-N where N is the number of atom types.
Invalid type for mass set
  Mass command must set a type from 1-N where N is the number of atom types.
Invalid type for shape set
  Atom type is out of bounds.
Invalid value in set command
  The value specified for the setting is invalid, likely because it is too small or too large.
Invalid variable in next command
  Next command in input script must set variables from "a" to "z".
Invalid variable name in variable
  Self-explanatory.
Invalid variable name
  Variable name used in an input script line is invalid.
Invalid variable style with next command
  Variable styles equal and world cannot be used in a next command.
Invoked pair single on pair style none
  A command (e.g. a dump) attempted to invoke the single() function on a pair style none, which is illegal. You are probably attempting to compute per-atom quantities with an undefined pair style.
KSpace style has not yet been set
  Cannot use kspace_modify command until a kspace style is set.
KSpace style is incompatible with Pair style
  Setting a kspace style requires that a pair style with a long-range Coulombic component be selected.
Keyword %s in MEAM parameter file not recognized
  Self-explanatory.
Kspace style requires atom attribute q
  The atom style defined does not have these attributes.
Label wasn't found in input script
  Self-explanatory.
Lattice orient vectors are not orthogonal
  The three specified lattice orientation vectors must be mutually orthogonal.
Lattice orient vectors are not right-handed
  The three specified lattice orientation vectors must create a right-handed coordinate system such that a1 cross a2 = a3.
Lattice primitive vectors are colinear
  The specified lattice primitive vectors do not for a unit cell with non-zero volume.
Lattice settings are not compatible with 2d simulation
  One or more of the specified lattice vectors has a non-zero z component.
Lattice spacings are invalid
  Each x,y,z spacing must be > 0.
Lattice style incompatible with simulation dimension
  2d simulation can use sq, sq2, or hex lattice. 3d simulation can use sc, bcc, or fcc lattice.
Lost atoms via displace_atoms: original %.15g current %.15g
  The displace_atoms command lost one or more atoms.
Lost atoms via displace_box: original %.15g current %.15g
  The displace_box command lost one or more atoms.
Lost atoms: original %.15g current %.15g
  A thermodynamic computation has detected lost atoms.
MEAM library error %d
  A call to the MEAM Fortran library returned an error.
Marsaglia RNG cannot use 0 seed
  The random number generator use for the fix langevin command cannot use 0 as an initial seed.
Mass command before simulation box is defined
  The mass command cannot be used before a read_data, read_restart, or create_box command.
Min_style command before simulation box is defined
  The min_style command cannot be used before a read_data, read_restart, or create_box command.
Minimize command before simulation box is defined
  The minimize command cannot be used before a read_data, read_restart, or create_box command.
More than one fix deform
  Only one fix deform can be defined at a time.
More than one fix freeze
  Only one of these fixes can be defined, since the granular pair potentials access it.
More than one fix shake
  Only one fix shake can be defined.
Must define angle_style before Angle Coeffs
  Must use an angle_style command before reading a data file that defines Angle Coeffs.
Must define angle_style before BondAngle Coeffs
  Must use an angle_style command before reading a data file that defines Angle Coeffs.
Must define angle_style before BondBond Coeffs
  Must use an angle_style command before reading a data file that defines Angle Coeffs.
Must define bond_style before Bond Coeffs
  Must use a bond_style command before reading a data file that defines Bond Coeffs.
Must define dihedral_style before AngleAngleTorsion Coeffs
  Must use a dihedral_style command before reading a data file that defines AngleAngleTorsion Coeffs.
Must define dihedral_style before AngleTorsion Coeffs
  Must use a dihedral_style command before reading a data file that defines AngleTorsion Coeffs.
Must define dihedral_style before BondBond13 Coeffs
  Must use a dihedral_style command before reading a data file that defines BondBond13 Coeffs.
Must define dihedral_style before Dihedral Coeffs
  Must use a dihedral_style command before reading a data file that defines Dihedral Coeffs.
Must define dihedral_style before EndBondTorsion Coeffs
  Must use a dihedral_style command before reading a data file that defines EndBondTorsion Coeffs.
Must define dihedral_style before MiddleBondTorsion Coeffs
  Must use a dihedral_style command before reading a data file that defines MiddleBondTorsion Coeffs.
Must define improper_style before AngleAngle Coeffs
  Must use an improper_style command before reading a data file that defines AngleAngle Coeffs.
Must define improper_style before Improper Coeffs
  Must use an improper_style command before reading a data file that defines Improper Coeffs.
Must define pair_style before Pair Coeffs
  Must use a pair_style command before reading a data file that defines Pair Coeffs.
Must have more than one processor partition to temper
  Cannot use the temper command with only one processor partition. Use the -partition command-line option.
Must read Atoms before Angles
  The Atoms section of a data file must come before an Angles section.
Must read Atoms before Bonds
  The Atoms section of a data file must come before a Bonds section.
Must read Atoms before Dihedrals
  The Atoms section of a data file must come before a Dihedrals section.
Must read Atoms before Impropers
  The Atoms section of a data file must come before an Impropers section.
Must read Atoms before Velocities
  The Atoms section of a data file must come before a Velocities section.
Must set both respa inner and outer
  Cannot use just the inner or outer option with respa without using the other.
Must specify a region in fix deposit
  The region keyword must be specified with this fix.
Must specify a region in fix pour
  The region keyword must be specified with this fix.
Must use -in switch with multiple partitions
  A multi-partition simulation cannot read the input script from stdin. The -in command-line option must be used to specify a file.
Must use a block or cylinder region with fix pour
  Self-explanatory.
Must use a block region with fix pour for 2d simulations
  Self-explanatory.
Must use a molecular atom style with fix poems molecule
  Self-explanatory.
Must use a molecular atom style with fix rigid molecule
  Self-explanatory.
Must use a z-axis cylinder with fix pour
  The axis of the cylinder region used with the fix insert command must be oriented along the z dimension.
Must use charged atom style with fix efield
  The atom style being used does not allow atoms to have assigned charges. Hence it will not work with this fix which generates a force due to an E-field acting on charge.
Must use fix gravity with fix pour
  Insertion of granular particles must be done under the influence of gravity.
Must use molecular atom style with neigh_modify exclude molecule
  The atom style must define a molecule ID to use the exclude option.
Must use region with side = in with fix deposit
  Self-explanatory
Must use region with side = in with fix pour
  Self-explanatory.
Must use special bonds = 1,1,1 with bond style quartic
  The settings for the special_bonds command must be set as indicated when using bond style quartic.
Needed topology not in data file
  The header of the data file indicated that bonds or angles or dihedrals or impropers would be included, but they were not present.
Neighbor delay must be 0 or multiple of every setting
  The delay and every parameters set via the neigh_modify command are inconsistent. If the delay setting is non-zero, then it must be a multiple of the every setting.
Neighbor list overflow, boost neigh_modify one or page
  There are too many neighbors of a single atom. Use the neigh_modify command to increase the neighbor page size and the max number of neighbors allowed for one atom.
Neighbor multi not yet enabled for granular
  Self-explanatory.
Neighbor multi not yet enabled for rRESPA
  Self-explanatory.
Newton bond change after simulation box is defined
  The newton command cannot be used to change the newton bond value after a read_data, read_restart, or create_box command.
No angles allowed with this atom style
  Self-explanatory. Check data file.
No atoms in data file
  The header of the data file indicated that atoms would be included, but they were not present.
No basis atoms in lattice
  Basis atoms must be defined for lattice style user.
No bonds allowed with this atom style
  Self-explanatory. Check data file.
No dihedrals allowed with this atom style
  Self-explanatory. Check data file.
No dump custom arguments specified
  The dump custom command requires that atom quantities be specified to output to dump file.
No impropers allowed with this atom style
  Self-explanatory. Check data file.
No matching element in EAM potential file
  The EAM potential file does not contain elements that match the requested elements.
No rigid bodies defined
  The fix specification did not end up defining any rigid bodies.
Non integer # of swaps in temper command
  Swap frequency in temper command must evenly divide the total # of timesteps.
One or more atoms belong to multiple rigid bodies
  Two or more rigid bodies defined by the fix rigid command cannot contain the same atom.
One or zero atoms in rigid body
  Any rigid body defined by the fix rigid command must contain 2 or more atoms.
Out of range atoms - cannot compute PPPM
  One or more atoms are attempting to map their charge to a PPPM grid point that is not owned by a processor. This is usually because an atom has moved to far in a single timestep.
POEMS fix must come before NPT/NPH fix
  NPT/NPH fix must be defined in input script after all poems fixes, else the fix contribution to the pressure virial is incorrect.
PPPM grid is too large
  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 precision.
PPPM order cannot be greater than %d
  Self-explanatory.
PPPM stencil extends too far, reduce PPPM order
  The grid points that atom charge are mapped to cannot extend further than one neighbor processor away. Reducing the PPPM order via the kspace_modify command will reduce the stencil distance.
Pair coeff for hybrid has invalid style
  Style in pair coeff must have been listed in pair_style command.
Pair cutoff < Respa interior cutoff
  One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs.
Pair distance < table inner cutoff
  Two atoms are closer together than the pairwise table allows.
Pair distance > table outer cutoff
  Two atoms are further apart than the pairwise table allows.
Pair gayberne epsilon a,b,c coeffs are not all set
  Each atom type involved in pair_style gayberne must have these 3 coefficients set at least once.
Pair gayberne requires atom attributes quat, torque
  The atom style defined does not have these attributes.
Pair granular requires atom attributes radius, omega, torque
  The atom style defined does not have these attributes.
Pair hybrid sub-style is not used
  No pair_coeff command used a sub-style specified in the pair_style command.
Pair inner cutoff < Respa interior cutoff
  One or more pairwise cutoffs are too short to use with the specified rRESPA cutoffs.
Pair inner cutoff >= Pair outer cutoff
  The specified cutoffs for the pair style are inconsistent.
Pair style AIREBO requires atom IDs
  Self-explanatory.
Pair style AIREBO requires newton pair on
  Self-explanatory.
Pair style MEAM requires newton pair on
  See the newton command. This is a restriction to use the MEAM potential.
Pair style Stillinger-Weber requires atom IDs
  This is a requirement to use the SW potential.
Pair style Stillinger-Weber requires newton pair on
  See the newton command. This is a restriction to use the SW potential.
Pair style Tersoff requires atom IDs
  This is a requirement to use the Tersoff potential.
Pair style Tersoff requires newton pair on
  See the newton command. This is a restriction to use the Tersoff potential.
Pair style buck/coul/cut requires atom attribute q
  The atom style defined does not have this attribute.
Pair style buck/coul/long requires atom attribute q
  The atom style defined does not have these attributes.
Pair style coul/cut requires atom attribute q
  The atom style defined does not have these attributes.
Pair style does not support bond_style quartic
  The pair style does not have a single() function, so it can not be invoked by bond_style quartic.
Pair style does not support computing per-atom energy
  The pair style does not have a single() function, so it can not be used to compute per-atom energy.
Pair style does not support computing per-atom stress
  The pair style does not have a single() function, so it can not be used to compute per-atom stress.
Pair style does not support pair_write
  The pair style does not have a single() function, so it can not be invoked by the pair_write command.
Pair style does not support rRESPA inner/middle/outer
  You are attempting to use rRESPA options with a pair style that does not support them.
Pair style dpd requires atom style dpd
  Must use atom_style dpd or atom_style hybrid with dpd as a sub-style in order to use this pair style.
Pair style granular with history requires atoms have IDs
  Atoms in the simulation do not have IDs, so history effects cannot be tracked by the granular pair potential.
Pair style hybrid cannot have hybrid as an argument
  Self-explanatory.
Pair style hybrid cannot have none as an argument
  Self-explanatory.
Pair style hybrid cannot use same pair style twice
  The sub-style arguments of pair_style hybrid cannot be duplicated. Check the input script.
Pair style is incompatible with KSpace style
  If a pair style with a long-range Coulombic component is selected, then a kspace style must also be used.
Pair style lj/charmm/coul/charmm requires atom attribute q
  The atom style defined does not have these attributes.
Pair style lj/charmm/coul/long requires atom attribute q
  The atom style defined does not have these attributes.
Pair style lj/class2/coul/cut requires atom attribute q
  The atom style defined does not have this attribute.
Pair style lj/class2/coul/long requires atom attribute q
  The atom style defined does not have this attribute.
Pair style lj/cut/coul/cut requires atom attribute q
  The atom style defined does not have this attribute.
Pair style lj/cut/coul/long requires atom attribute q
  The atom style defined does not have this attribute.
Pair style lj/cut/coul/long/tip4p requires atom IDs
  There are no atom IDs defined in the system and the TIP4P potential requires them to find O,H atoms with a water molecule.
Pair style lj/cut/coul/long/tip4p requires atom attribute q
  The atom style defined does not have these attributes.
Pair style lj/cut/coul/long/tip4p requires newton pair on
  This is because the computation of constraint forces within a water molecule adds forces to atoms owned by other processors.
Pair table cutoffs must all be equal to use with KSpace
  When using pair style table with a long-range KSpace solver, the cutoffs for all atom type pairs must all be the same, since the long-range solver starts at that cutoff.
Pair table parameters did not set N
  List of pair table parameters must include N setting.
Pair_coeff command before pair_style is defined
  Self-explanatory.
Pair_coeff command before simulation box is defined
  The pair_coeff command cannot be used before a read_data, read_restart, or create_box command.
Pair_modify command before pair_style is defined
  Self-explanatory.
Pair_write command before pair_style is defined
  Self-explanatory.
Potential file has duplicate entry
  The potential file for a SW or Tersoff potential has more than one entry for the same 3 ordered elements.
Potential file is missing an entry
  The potential file for a SW or Tersoff potential does not have a needed entry.
Potential with shear history requires newton pair off
  Granular potentials that include shear history effects can only be run with a newton setting where pairwise newton is "off".
Precompute ID for fix ave/spatial does not exist
  The compute used by fix ave/spatial requires a second pre-computation compute, which isn't defined.
Precompute ID for fix ave/time does not exist
  The compute used by fix ave/time requires a second pre-computation compute, which isn't defined.
Precompute ID of compute for fix ave/atom does not exist
  The compute specified for fix ave/atom has other pre-computed computes defined. One of them does not exist.
Press ID for fix nph does not exist
  The compute ID needed to compute pressure for the fix does not exist.
Press ID for fix npt does not exist
  The compute ID needed to compute pressure for the fix does not exist.
Press ID for thermo does not exist
  The compute ID needed to compute pressure for thermodynamics does not exist.
Proc grid in z != 1 for 2d simulation
  There cannot be more than 1 processor in the z dimension of a 2d simulation.
Processor partitions are inconsistent
  The total number of processors in all partitions must match the number of processors LAMMPS is running on.
Processors command after simulation box is defined
  The processors command cannot be used after a read_data, read_restart, or create_box command.
Quaternion creation numeric error
  A numeric error occurred in the creation of a rigid body by the fix rigid command.
Quotes in a single arg
  A single word should not be quoted in the input script; only a set of words with intervening spaces should be quoted.
R0 < 0 for fix spring command
  Equilibrium spring length is invalid.
Region intersect region ID does not exist
  Self-explanatory.
Region union region ID does not exist
  One or more of the region IDs specified by the region union command does not exist.
Replacing a fix, but new style != old style
  A fix ID can be used a 2nd time, but only if the style matches the previous fix. In this case it is assumed you with to reset a fix's parameters. This error may mean you are mistakenly re-using a fix ID when you do not intend to.
Replicate command before simulation box is defined
  The replicate command cannot be used before a read_data, read_restart, or create_box command.
Replicate did not assign all atoms correctly
  Atoms replicated by the replicate command were not assigned correctly to processors. This is likely due to some atom coordinates being outside a non-periodic simulation box.
Respa inner cutoffs are invalid
  The first cutoff must be <= the second cutoff.
Respa levels must be >= 1
  Self-explanatory.
Respa middle cutoffs are invalid
  The first cutoff must be <= the second cutoff.
Reuse of compute ID
  A compute ID cannot be used twice.
Reuse of dump ID
  A dump ID cannot be used twice.
Reuse of region ID
  A region ID cannot be used twice.
Rigid body has degenerate moment of inertia
  Fix poems will only work with bodies (collections of atoms) that have non-zero principal moments of inertia. This means they must be 3 or more non-colinear atoms, even with joint atoms removed.
Rigid fix must come before NPT/NPH fix
  NPT/NPH fix must be defined in input script after all rigid fixes, else the rigid fix contribution to the pressure virial is incorrect.
Run command before simulation box is defined
  The run command cannot be used before a read_data, read_restart, or create_box command.
Run command start value is after start of run
  Self-explanatory.
Run command stop value is before end of run
  Self-explanatory.
Run command upto value is before current timestep
  Self-explanatory.
Run_style command before simulation box is defined
  The run_style command cannot be used before a read_data, read_restart, or create_box command.
Set command before simulation box is defined
  The set command cannot be used before a read_data, read_restart, or create_box command.
Set command with no atoms existing
  No atoms are yet defined so the set command cannot be used.
Set region ID does not exist
  Region ID specified in set command does not exist.
Shake angles have different bond types
  All 3-atom angle-constrained SHAKE clusters specified by the fix shake command that are the same angle type, must also have the same bond types for the 2 bonds in the angle.
Shake atoms %d %d %d %d missing on proc %d at step %d
  The 4 atoms in a single shake cluster specified by the fix shake command are not all accessible to a processor. This probably means an atom has moved too far.
Shake atoms %d %d %d missing on proc %d at step %d
  The 3 atoms in a single shake cluster specified by the fix shake command are not all accessible to a processor. This probably means an atom has moved too far.
Shake atoms %d %d missing on proc %d at step %d
  The 2 atoms in a single shake cluster specified by the fix shake command are not all accessible to a processor. This probably means an atom has moved too far.
Shake cluster of more than 4 atoms
  A single cluster specified by the fix shake command can have no more than 4 atoms.
Shake clusters are connected
  A single cluster specified by the fix shake command must have a single central atom with up to 3 other atoms bonded to it.
Shake determinant = 0.0
  The determinant of the matrix being solved for a single cluster specified by the fix shake command is numerically invalid.
Shake fix must come before NPT/NPH fix
  NPT fix must be defined in input script after SHAKE fix, else the SHAKE fix contribution to the pressure virial is incorrect.
Shape command before simulation box is defined
  Self-explanatory.
Substitution for undefined variable
  The variable specified with a $ symbol in an input script command has not been previously defined with a variable command.
TIP4P hydrogen has incorrect atom type
  The TIP4P pairwise computation found an H atom whose type does not agree with the specified H type.
TIP4P hydrogen is missing
  The TIP4P pairwise computation failed to find the correct H atom within a water molecule.
TMD target file did not list all group atoms
  The target file for the fix tmd command did not list all atoms in the fix group.
Target T for fix npt cannot be 0.0
  Self-explanatory.
Target T for fix nvt cannot be 0.0
  Self-explanatory.
Temp ID for fix nph does not exist
  The compute ID needed to compute temperature for the fix does not exist.
Temp ID for fix npt does not exist
  The compute ID needed to compute temperature for the fix does not exist.
Temp ID for fix nvt does not exist
  The compute ID needed to compute temperature for the fix does not exist.
Temp ID for fix temp/rescale does not exist
  The compute ID needed to compute temperature for the fix does not exist.
Temp ID of press ID for fix nph does not exist
  The compute ID needed to compute temperature within the pressure compute ID for the fix does not exist.
Temp ID of press ID for fix npt does not exist
  The compute ID needed to compute temperature within the pressure compute ID for the fix does not exist.
Temper command before simulation box is defined
  The temper command cannot be used before a read_data, read_restart, or create_box command.
Temperature region ID does not exist
  The region ID specified in the temperature command does not exist.
Tempering fix ID is not defined
  The fix ID specified by the temper command does not exist.
Tempering fix is not valid
  The fix specified by the temper command is not one that controls temperature (nvt or langevin).
Thermo compute ID does not compute scalar info
  The specified compute ID does not compute a scalar quantity as requested.
Thermo compute ID does not compute vector info
  The specified compute ID does not compute a vector quantity as requested.
Thermo compute ID vector is not large enough
  The specified compute ID does not compute a large enough vector quantity for the requested index.
Thermo style does not use drot
  Cannot use thermo_modify to set this parameter since the thermo_style is not computing this quantity.
Thermo style does not use grot
  Cannot use thermo_modify to set this parameter since the thermo_style is not computing this quantity.
Thermo style does not use press
  Cannot use thermo_modify to set this parameter since the thermo_style is not computing this quantity.
Thermo style does not use temp
  Cannot use thermo_modify to set this parameter since the thermo_style is not computing this quantity.
Thermo_modify press ID does not compute pressure
  The specified compute ID does not compute pressure.
Thermo_modify temp ID does not compute temperature
  The specified compute ID does not compute temperature.
Thermo_style command before simulation box is defined
  The thermo_style command cannot be used before a read_data, read_restart, or create_box command.
Thermodynamics must compute PE for temper command
  The thermo style must insure that thermodynamics computations include potential energy when tempering is performed.
Thermodynamics not computed on tempering swap steps
  The thermo command must insure that thermodynamics (including energy) is computed on the timesteps that tempering swaps are attempted.
Timestep must be >= 0
  Specified timestep size is invalid.
Too big a problem to replicate with molecular atom style
  Molecular problems cannot become bigger than 2^31 atoms (or bonds, etc) when replicated, else the atom IDs and other quantities cannot be stored in 32 bit quantities.
Too few bits for lookup table
  Table size specified via pair_modify command does not work with your machine's floating point representation.
Too many exponent bits for lookup table
  Table size specified via pair_modify command does not work with your machine's floating point representation.
Too many groups
  The maximum number of atom groups (including the "all" group) is given by MAX_GROUP in group.cpp and is 32.
Too many mantissa bits for lookup table
  Table size specified via pair_modify command does not work with your machine's floating point representation.
Too many masses for fix shake
  The fix shake command cannot list more masses than there are atom types.
Too many total bits for bitmapped lookup table
  Table size specified via pair_modify command is too large. Note that a value of N generates a 2^N size table.
Too many touching neighbors - boost MAXTOUCH
  A granular simulation has too many neighbors touching one atom. The MAXTOUCH parameter in fix_shear_history.cpp must be set larger and LAMMPS must be re-built.
Tree structure in joint connections
  Fix poems cannot (yet) work with coupled bodies whose joints connect the bodies in a tree structure.
Triclinic box must be periodic in skewed dimensions
  This is a requirement for using a non-orthogonal box. E.g. to set a non-zero xy tilt, both x and y must be periodic dimensions.
Triclinic box skew is too large
  The displacement in a skewed direction must 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.
Unbalanced quotes in input line
  No matching end double quote was found following a leading double quote.
Unexpected end of data file
  LAMMPS hit the end of the data file while attempting to read a section. Something is wrong with the format of the data file.
Units command after simulation box is defined
  The units command cannot be used after a read_data, read_restart, or create_box command.
Universe/uloop variable count < # of partitions
  A universe or uloop style variable must specify a number of values >= to the number of processor partitions.
Unknown command: %s
  The command is not known to LAMMPS. Check the input script.
Unknown identifier in data file: %s
  A section of the data file cannot be read by LAMMPS.
Unknown section in data file: %s
  The keyword for a section of the data file is not recognized by LAMMPS.
Unknown table style in pair_style command
  Style of table is invalid for use with pair_style table command.
Unrecognized lattice type in MEAM file 1
  The lattice type in an entry of the MEAM library file is not valid.
Unrecognized lattice type in MEAM file 2
  The lattice type in an entry of the MEAM parameter file is not valid.
Use of compute temp/ramp with undefined lattice
  Must use lattice command with compute temp/ramp command if units option is set to lattice.
Use of displace_atoms with undefined lattice
  Must use lattice command with displace_atoms command if units option is set to lattice.
Use of displace_box with undefined lattice
  Must use lattice command with displace_box command if units option is set to lattice.
Use of fix ave/spatial with undefined lattice
  A lattice must be defined to use fix ave/spatial with units = lattice.
Use of fix deform with undefined lattice
  A lattice must be defined to use fix deform with units = lattice.
Use of fix deposit with undefined lattice
  Must use lattice command with compute fix deposit command if units option is set to lattice.
Use of fix indent with undefined lattice
  The lattice command must be used to define a lattice before using the fix indent command.
Use of fix recenter with undefined lattice
  Must use lattice command with fix recenter command if units option is set to lattice.
Use of region with undefined lattice
  If scale = lattice (the default) for the region command, then a lattice must first be defined via the lattice command.
Use of velocity with undefined lattice
  If scale = lattice (the default) for the velocity set or velocity ramp command, then a lattice must first be defined via the lattice command.
Using fix nvt/sllod with inconsistent fix deform remap option
  Fix nvt/sllod requires that deforming atoms have a velocity profile provided by "remap v" as a fix deform option.
Using fix nvt/sllod with no fix deform defined
  Self-explanatory.
Variable compute ID does not compute scalar info
  The specified compute ID does not compute a scalar quantity as requested.
Variable compute ID vector is not large enough
  The specified compute ID does not compute a large enough vector quantity for the requested index.
Variable equal keyword used before initial run
  Cannot evaluate the variable at this stage of input script.
Variable equal keyword used before simulation box defined
  Cannot evaluate the variable at this stage of input script.
Variable group ID does not exist
  A group specified in a variable definition does not exist.
Velocity command before simulation box is defined
  The velocity command cannot be used before a read_data, read_restart, or create_box command.
Velocity command with no atoms existing
  A velocity command has been used, but no atoms yet exist.
Velocity ramp in z for a 2d problem
  Self-explanatory.
Velocity temp ID does not compute temperature
  The compute ID given to the velocity command must compute temperature.
World variable count doesn't match # of partitions
  A world-style variable must specify a number of values equal to the number of processor partitions.
Write_restart command before simulation box is defined
  The write_restart command cannot be used before a read_data, read_restart, or create_box command.
Zero-length lattice orient vector
  Self-explanatory.

#### Warnings:

FENE bond too long: %d %d %d %g
  A FENE bond has stretched dangerously far. It's interaction strength will be truncated to attempt to prevent the bond from blowing up.
FENE bond too long: %d %g
  A FENE bond has stretched dangerously far. It's interaction strength will be truncated to attempt to prevent the bond from blowing up.
Fix recenter should come after all other integration fixes
  Other fixes may change the position of the center-of-mass, so fix recenter should come last.
Fix wall/reflect should come after all other integration fixes
  This is because other integration fixes may alter the coordinates of an atom, so you want to reflect it back into the box only after the other fixes have made their adjustments.
Group for fix_modify temp != fix group
  The fix_modify command is specifying a temperature computation that computes a temperature on a different group of atoms than the fix itself operates on. This is probably not what you want to do.
Less insertions than requested
  Less atom insertions occurred on this timestep due to the fix insert command than were scheduled. This is probably because there were too many overlaps detected.
Lost atoms: original %.15g current %.15g
  A thermodynamic computation has detected lost atoms.
Mismatch between velocity and compute groups
  The temperature computation used by the velocity command will not be on the same group of atoms that velocities are being set for.
More than one compute centro/atom
  It is not efficient to use compute centro/atom more than once.
More than one compute coord/atom
  It is not efficient to use compute coord/atom more than once.
More than one compute ebond/atom
  It is not efficient to use compute ebond/atom more than once.
More than one compute epair/atom
  It is not efficient to use compute epair/atom more than once.
More than one compute ke/atom
  It is not efficient to use compute ke/atom more than once.
More than one compute stress/atom
  It is not efficient to use compute stress/atom more than once.
More than one fix msd
  It is not efficient to use fix msd more than once.
More than one fix poems
  It is not efficient to use fix poems more than once.
More than one fix rigid
  It is not efficient to use fix rigid more than once.
No fixes defined, atoms won't move
  If you are not using a fix like nve, nvt, npt then atom velocities and coordinates will not be updated during timestepping.
No joints between rigid bodies, use fix rigid instead
  The bodies defined by fix poems are not connected by joints. POEMS will integrate the body motion, but it would be more efficient to use fix rigid.
One or more respa levels compute no forces
  This is computationally inefficient.
Particle deposition was unsuccessful
  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.
Replacing a fix, but new group != old group
  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.
Replicating in a non-periodic dimension
  The parameters for a replicate command will cause a non-periodic dimension to be replicated; this may cause unwanted behavior.
Resetting angle_style to restart file value
  The angle style defined in the LAMMPS input script does not match that of the restart file.
Resetting bond_style to restart file value
  The bond style defined in the LAMMPS input script does not match that of the restart file.
Resetting boundary settings to restart file values
  The boundary settings defined in the LAMMPS input script do not match that of the restart file.
Resetting dihedral_style to restart file value
  The dihedral style defined in the LAMMPS input script does not match that of the restart file.
Resetting dimension to restart file value
  The dimension value defined in the LAMMPS input script does not match that of the restart file.
Resetting improper_style to restart file value
  The improper style defined in the LAMMPS input script does not match that of the restart file.
Resetting newton bond to restart file value
  The value of the newton setting for bonds defined in the LAMMPS input script does not match that of the restart file.
Resetting pair_style to restart file value
  The pair style defined in the LAMMPS input script does not match that of the restart file.
Resetting reneighboring criteria during minimization
  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.
Resetting unit_style to restart file value
  The unit style defined in the LAMMPS input script does not match that of the restart file.
Restart file used different # of processors
  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.
Restart file used different 3d processor grid
  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.
Restart file used different newton pair setting
  The restart file was written out by a LAMMPS simulation running with a different value of the newton pair setting. The new simulation will use the value from the input script.
Restart file version does not match LAMMPS version
  The version of LAMMPS that wrote the restart file does not match the version of LAMMPS that is reading the restart file. Generally this shouldn't be a problem, since restart file formats won't change very often if at all. But if they do, the code will probably crash trying to read the file. Versions of LAMMPS are specified by a date.
Shake determinant < 0.0
  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.
Slab parameter < 2.0 may cause unphysical behavior
  The kspace_modify slab parameter should be larger to insure periodic grids padded with empty space do not overlap.
System is not charge neutral, net charge = %g
  The total charge on all atoms on the system is not 0.0, which is not valid for Ewald or PPPM.
Table inner cutoff >= outer cutoff
  You specified an inner cutoff for a Coulombic table that is longer than the global cutoff. Probably not what you wanted.
Temperature for NPH is not for group all
  User-assigned temperature to NPH fix does not compute temperature for all atoms. Since NPH computes a global pressure, the kinetic energy contribution from the temperature is assumed to also be for all atoms. Thus the pressure used by NPH could be inaccurate.
Temperature for NPT is not for group all
  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.
Temperature for thermo pressure is not for group all
  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.
Using compute temp/deform with inconsistent fix deform remap option
  Fix nvt/sllod assumes deforming atoms have a velocity profile provided by "remap v" or "remap none" as a fix deform option.
Using compute temp/deform with no fix deform defined
  Self-explanatory.
Using pair tail corrections with nonperiodic system
  This is probably a bogus thing to do, since tail corrections are computed by integrating the density of a periodic system out to infinity.
Variable equal keyword used with non-current thermo
  The evaluation of the variable may be inaccurate as a result.