<DD>Cannot attempt to open a 2nd input script, when the original file is

still being processed. 

<DT><I>Arccos of invalid value in variable formula</I> 

<DD>Argument of arccos() must be between -1 and 1. 

<DT><I>Arcsin of invalid value in variable formula</I> 

<DD>Argument of arcsin() must be between -1 and 1. 

<DT><I>Atom IDs must be consecutive for dump dcd</I> 

<DD>Self-explanatory. 

<DD>Self-explanatory. 

<DT><I>Atom IDs must be consecutive for velocity create loop all</I> 

<DD>Self-explanatory. 

<DT><I>Atom count is inconsistent, cannot write restart file</I> 

<DD>Sum of atoms across processors does not equal initial total count.

<DD>The 3d grid of processors defined by the processors command does not

match the number of processors LAMMPS is being run on. 

<DT><I>Bad kspace_modify slab parameter</I> 

<DD>Kspace_modify value for the slab/volume keyword must be >= 2.0. 

<DT><I>Bad principal moments</I> 

<DD>Fix rigid did not compute the principal moments of inertia of a rigid

group of atoms correctly. 

<DT><I>Bad slab parameter</I> 

<DT><I>Bias compute does not calculate a velocity bias</I> 

<DD>Kspace_modify value for the slab/volume keyword must be >= 2.0. 

<DD>The specified compute must compute a bias for temperature. 

<DT><I>Bias compute does not calculate temperature</I> 

<DD>The specified compute must compute temperature. 

<DT><I>Bias compute group does not match compute group</I> 

<DD>The specified compute must operate on the same group as the parent

compute. 

<DT><I>Bitmapped lookup tables require int/float be same size</I> 

<DD>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. 

<DT><I>Can only wiggle zcylinder wall in z dim</I> 

<DD>The Self-explanatory. 

<DT><I>Cannot (yet) use PPPM with triclinic box</I> 

<DD>This feature is not yet supported. 

<DD>The kspace style pppm cannot be used in 2d simulations.  You can use

2d PPPM in a 3d simulation; see the kspace_modify command. 

<DT><I>Cannot use both region, partial options in fix temp/rescale</I> 

<DD>Self-explanatory. 

<DT><I>Cannot use delete_atoms unless atoms have IDs</I> 

<DD>Your atoms do not have IDs, so the delete_atoms command cannot be

<DD>The trate style alters the current strain. 

<DT><I>Cannot use fix langevin without per-type mass defined</I> 

<DT><I>Cannot use fix enforce2d with 3d simulation</I> 

<DD>Some atom styles use a per-atom mass which is incompatible with fix

langevin. 

<DD>Self-explanatory. 

<DT><I>Cannot use fix nph on a non-periodic dimension</I> 

<DD>This feature is not yet supported. 

<DT><I>Cannot use fix press/berendsen and fix deform on same dimension</I> 

<DD>Self-explanatory. 

<DT><I>Cannot use fix press/berendsen on a non-periodic dimension</I> 

<DD>Self-explanatory. 

<DT><I>Cannot use fix press/berendsen with triclinic box</I> 

<DD>Self-explanatory. 

<DT><I>Cannot use fix press/berendsen without per-type mass defined</I> 

<DD>Self-explanatory. 

<DT><I>Cannot use fix shake with non-molecular system</I> 

<DD>Your choice of atom style does not have bonds. 

<DT><I>Cannot use fix temp/berendsen without per-type mass defined</I> 

<DD>Self-explanatory. 

<DT><I>Cannot use kspace solver on system with no charge</I> 

<DD>No atoms in system have a non-zero charge. 

<DD>Atoms in the simulation to do not have IDs, so this style

of velocity creation cannot be performed. 

<DT><I>Cannot use velocity create loop all with non-contiguous atom IDs</I> 

<DD>Atoms in the simulation to do not have consecutive IDs, so this style

of velocity creation cannot be performed. 

<DT><I>Cannot use wall in periodic dimension</I> 

<DD>Self-explanatory. 

<DT><I>Cannot wiggle and shear fix wall/gran</I> 

<DD>Cannot specify both options at the same time. 

<DT><I>Cannot zero momentum of 0 atoms</I> 

<DD>The collection of atoms for which momentum is being computed has no

<DD>Cannot change orthogonal box to orthogonal or a triclinic box to

triclinic. 

<DT><I>Compute ID for compute sum does not exist</I> 

<DT><I>Communicate group != atom_modify first group</I> 

<DD>Self-explanatory. 

<DT><I>Compute ID for compute reduce does not exist</I> 

<DD>Self-explanatory. 

<DD>Cannot compute coordination at distances longer than the pair cutoff,

since those atoms are not in the neighbor list. 

<DT><I>Compute erotate/asphere requires atom attribute shape</I> 

<DD>An atom style that specifies atom shape is needed. 

<DT><I>Compute erotate/asphere requires atom attributes angmom, quat</I> 

<DD>An atom style is needed that has these attributes. 

<DT><I>Compute erotate/sphere requires atom attribute omega</I> 

<DD>An atom style is needed that has this attribute. 

<DT><I>Compute erotate/sphere requires atom attribute shape</I> 

<DD>An atom style that specifies atom shape is needed. 

<DT><I>Compute erotate/sphere requires atom attributes radius, rmass</I> 

<DD>An atom style is needed that has these attributes. 

<DT><I>Compute erotate/sphere requires spherical particle shapes</I> 

<DD>Self-explanatory. 

<DT><I>Compute group/group group ID does not exist</I> 

<DD>Self-explanatory. 

<DT><I>Compute group/group requires pair style be defined</I> 

<DD>Self-explanatory. 

<DT><I>Compute in variable formula before initial run</I> 

<DD>Calculating this compute before the first run is not allowed because

<DD>The compute ID assigned to a pressure computation must compute

temperature. 

<DT><I>Compute rotate/dipole requires atom attributes dipole, omega</I> 

<DD>The atom style defined does not have these attributes. 

<DT><I>Compute sum compute does not calculate a per-atom scalar</I> 

<DT><I>Compute reduce compute does not calculate a per-atom scalar</I> 

<DD>A compute accessed by compute sum must produce per-atom values. 

<DD>Self-explanatory. 

<DT><I>Compute sum compute does not calculate a per-atom vector</I> 

<DT><I>Compute reduce compute does not calculate a per-atom vector</I> 

<DD>A compute accessed by compute sum must produce per-atom values. 

<DD>Self-explanatory. 

<DT><I>Compute sum compute does not calculate per-atom values</I> 

<DT><I>Compute reduce compute does not calculate per-atom values</I> 

<DD>A compute accessed by compute sum must produce per-atom values. 

<DD>Self-explanatory. 

<DT><I>Compute sum fix does not calculate a per-atom scalar</I> 

<DT><I>Compute reduce fix does not calculate a per-atom scalar</I> 

<DD>A fix accessed by compute sum must produce per-atom values. 

<DD>Self-explanatory. 

<DT><I>Compute sum fix does not calculate a per-atom vector</I> 

<DT><I>Compute reduce fix does not calculate a per-atom vector</I> 

<DD>A fix accessed by compute sum must produce per-atom values. 

<DD>Self-explanatory. 

<DT><I>Compute sum fix does not calculate per-atom values</I> 

<DT><I>Compute reduce fix does not calculate per-atom values</I> 

<DD>A fix accessed by compute sum must produce per-atom values. 

<DD>Self-explanatory. 

<DT><I>Compute sum variable is not atom-style variable</I> 

<DT><I>Compute reduce variable is not atom-style variable</I> 

<DD>A variable accessed by compute sum must produce per-atom values. 

<DD>Self-explanatory. 

<DT><I>Compute temp/asphere requires atom attributes quat, angmom</I> 

<DD>The atom style defined does not have these attributes. 

<DT><I>Compute temp/dipole requires atom attributes omega, shape</I> 

<DT><I>Compute temp/sphere requires atom attribute omega</I> 

<DD>The atom style defined does not have these attributes. 

<DD>An atom style is needed that has this attributes. 

<DT><I>Compute temp/sphere requires spherical particle shapes</I> 

<DD>Self-explanatory. 

<DT><I>Compute vector in variable formula is too small</I> 

<DD>The index to the vector is out of bounds. 

<DT><I>Computed temperature for fix temp/berendsen cannot be 0.0</I> 

<DD>Self-explanatory. 

<DT><I>Could not create 3d FFT plan</I> 

<DD>The FFT setup in pppm failed. 

<DD>The FFT setup in pppm failed. 

<DT><I>Could not find atom_modify first group ID</I> 

<DD>Self-explanatory. 

<DT><I>Could not find compute ID for temperature bias</I> 

<DD>Self-explanatory. 

<DT><I>Could not find compute ID to delete</I> 

<DD>Self-explanatory. 

<DD>A group ID used in the dump command does not exist. 

<DT><I>Could not find dump_modify ID</I> 

<DD>Self-explanatory. 

<DT><I>Could not find fix ID to delete</I> 

<DD>Self-explanatory. 

<DD>Fix ID specified in thermo_style command does not exist. 

<DT><I>Could not find thermo_modify drot ID</I> 

<DD>The compute ID needed by thermo style custom to compute rotational

energy of dipolar atoms does not exist. 

<DT><I>Could not find thermo_modify grot ID</I> 

<DD>The compute ID needed by thermo style custom to compute rotational

energy of granular atoms does not exist. 

<DT><I>Could not find thermo_modify press ID</I> 

<DD>The compute ID needed by thermo style custom to compute pressure does

<DD>If using a Kspace solver, all Coulomb cutoffs of long pair styles must

be the same. 

<DT><I>Cound not find dump_modify ID</I> 

<DD>Self-explanatory. 

<DT><I>Create_atoms command before simulation box is defined</I> 

<DD>The create_atoms command cannot be used before a read_data,

<DD>Self-explanatory. 

<DT><I>Fix ID for compute sum does not exist</I> 

<DT><I>Fix ID for compute reduce does not exist</I> 

<DD>Self-explanatory. 

<DD>A variable used by fix ave/time must generate a global value. 

<DT><I>Fix bond/swap cannot use dihedral or improper styles</I> 

<DD>These styles cannot be defined when using this fix. 

<DT><I>Fix bond/swap requires pair and bond styles</I> 

<DD>Self-explanatory. 

<DT><I>Fix bond/swap requires special_bonds = 0,1,1</I> 

<DD>Self-explanatory. 

<DT><I>Fix command before simulation box is defined</I> 

<DD>The fix command cannot be used before a read_data, read_restart, or

<DD>The time window for temperature relaxation must be > 0 

<DT><I>Fix langevin region ID does not exist</I> 

<DD>Self-explanatory. 

<DT><I>Fix momentum group has no atoms</I> 

<DD>Self-explanatory. 

<DD>The time window for temperature or pressure relaxation must be > 0 

<DT><I>Fix npt/sphere requires atom attribute shape</I> 

<DD>An atom style that specifies atom shape is needed. 

<DT><I>Fix npt/sphere requires spherical particle shapes</I> 

<DD>Self-explanatory. 

<DT><I>Fix nve/sphere requires atom attribute mu</I> 

<DD>An atom style with this attribute is needed. 

<DT><I>Fix nve/sphere requires atom attribute shape</I> 

<DD>An atom style with this attribute is needed. 

<DT><I>Fix nve/sphere requires atom attributes omega, torque</I> 

<DD>An atom style with these attributes is needed. 

<DT><I>Fix nve/sphere requires atom attributes radius, rmass</I> 

<DD>An atom style with these attributes is needed. 

<DT><I>Fix nve/sphere requires spherical particle shapes</I> 

<DD>Self-explanatory. 

<DT><I>Fix nvt period must be > 0.0</I> 

<DD>The time window for temperature relaxation must be > 0 

<DT><I>Fix nvt/sphere requires atom attribute shape</I> 

<DD>An atom style with this attribute is needed. 

<DT><I>Fix nvt/sphere requires atom attributes omega, torque</I> 

<DD>An atom style with these attributes is needed. 

<DT><I>Fix nvt/sphere requires spherical particle shapes</I> 

<DD>Self-explanatory. 

<DT><I>Fix orient/fcc file open failed</I> 

<DD>The fix orient/fcc command could not open a specified file. 

<DD>The atom style defined does not have these attributes. 

<DT><I>Fix press/berendsen period must be > 0.0</I> 

<DD>Self-explanatory. 

<DT><I>Fix rdf requires a pair style be defined</I> 

<DD>Cannot use the rdf fix unless a pair style with a cutoff has been

<DD>Cannot use fix shake while doing an energy minimization since

it turns off bonds that should contribute to the energy. 

<DT><I>Fix temp/rescale region ID does not exist</I> 

<DT><I>Fix temp/berendsen period must be > 0.0</I> 

<DD>Self-explanatory. 

<DT><I>Fix thermal/conductivity swap value must be positive</I> 

<DD>Self-explanatory. 

integration fixes (nve, nvt, npt).  See the fix tmd documentation for

details. 

<DT><I>Fix used in compute sum not computed at compatible time</I> 

<DT><I>Fix used in compute reduce not computed at compatible time</I> 

<DD>Fixes generate their values on specific timesteps.  Compute sum is

requesting a value on a non-allowed timestep. 

<DD>Index into vector is out of bounds. 

<DT><I>Fix viscosity swap value must be positive</I> 

<DD>Self-explanatory. 

<DT><I>Fix viscosity vtarget value must be positive</I> 

<DD>Self-explanatory. 

<DT><I>Fix wall/gran is incompatible with Pair style</I> 

<DD>Must use a granular pair style to define the parameters needed for

<DD>Filenames used with the dump xyz style cannot be binary or cause files

to be written by each processor. 

<DT><I>Invalid dump_modify threshold operator</I> 

<DT><I>Invalid dump_modify threshhold operator</I> 

<DD>Operator keyword used for threshold specification in not recognized. 

<DD>Cannot use style xy, yz, or xz for a 2d simulation. 

<DT><I>Invalid fix nph command pressure settings</I> 

<DD>Pressure settings for different components must be the same if

the components are coupled. 

<DT><I>Invalid fix npt command for a 2d simulation</I> 

<DD>Cannot use style xy, yz, or xz for a 2d simulation. 

<DT><I>Invalid fix npt command pressure settings</I> 

<DD>Pressure settings for different components must be the same if

the components are coupled. 

<DT><I>Invalid fix press/berendsen command for a 2d simulation</I> 

<DD>Can only use xyz or aniso styles in 2d. 

<DT><I>Invalid fix press/berendsen command pressure settings</I> 

<DD>Pressure settings for different components must be the same if

the components are coupled. 

<DT><I>Invalid fix style used in compute displace/atom command</I> 

<DD>Only a fix of style coord/original can be used with this compute. 

<DD>Nevery must be > 0. 

<DT><I>Invalid group ID in communicate command</I> 

<DD>Self-explanatory. 

<DT><I>Invalid group ID in neigh_modify command</I> 

<DD>A group ID used in the neigh_modify command does not exist. 

<DD>Self-explanatory. 

<DT><I>Invalid shear direction for fix wall/gran</I> 

<DD>Self-explanatory. 

<DT><I>Invalid style in pair_write command</I> 

<DD>Self-explanatory.  Check the input script. 

<DD>Variable styles <I>equal</I> and <I>world</I> cannot be used in a next

command. 

<DT><I>Invalid wiggle direction for fix wall/gran</I> 

<DD>Self-explanatory. 

<DT><I>Invoked pair single on pair style none</I> 

<DD>A command (e.g. a dump) attempted to invoke the single() function on a

<DD>TIP4P potentials assume angles in water are constrained by a fix shake

command. 

<DT><I>Must use atom style with molecule IDs with fix efield</I> 

<DD>Self-explanatory. 

<DT><I>Must use charged atom style with fix efield</I> 

<DD>The atom style being used does not allow atoms to have assigned

<DD>The header of the data file indicated that bonds or angles or

dihedrals or impropers would be included, but they were not present. 

<DT><I>Neigh_modify include group != atom_modify first group</I> 

<DD>Self-explanatory. 

<DT><I>Neighbor delay must be 0 or multiple of every setting</I> 

<DD>The delay and every parameters set via the neigh_modify command are

<DD>Two atoms are further apart than the pairwise table allows. 

<DT><I>Pair dpd requires ghost atoms store velocity</I> 

<DD>An atom style that stores this, like atom_style dpd, must be used. 

<DT><I>Pair gayberne epsilon a,b,c coeffs are not all set</I> 

<DD>Each atom type involved in pair_style gayberne must

<DD>The atom style defined does not have these attributes. 

<DT><I>Pair granular requires ghost atoms store velocity</I> 

<DD>An atom style that stores this, like atom_style granular, must be

used. 

<DT><I>Pair hybrid sub-style is not used</I> 

<DD>No pair_coeff command used a sub-style specified in the pair_style

<DD>The specified cutoffs for the pair style are inconsistent. 

<DT><I>Pair lubricate only available for 3d</I> 

<DD>Self-explanatory. 

<DT><I>Pair lubricate requires atom attributes torque, shape</I> 

<DD>Use a different atom style. 

<DD>You are attempting to use rRESPA options with a pair style that

does not support them. 

<DT><I>Pair style dpd requires atom style dpd</I> 

<DD>Must use atom_style dpd or atom_style hybrid with dpd as a sub-style

in order to use this pair style. 

<DT><I>Pair style granular with history requires atoms have IDs</I> 

<DD>Atoms in the simulation do not have IDs, so history effects

<DD>This is because the computation of constraint forces within a water

molecule adds forces to atoms owned by other processors. 

<DT><I>Pair style lj/gromacs/coul/gromacs requires atom attribute q</I> 

<DD>An atom_style with this attribute is needed. 

<DT><I>Pair table cutoffs must all be equal to use with KSpace</I> 

<DD>When using pair style table with a long-range KSpace solver, the

<DD>The compute ID needed to compute pressure for the fix does not

exist. 

<DT><I>Press ID for fix press/berendsen does not exist</I> 

<DD>The compute ID needed to compute pressure for the fix does not

exist. 

<DT><I>Press ID for thermo does not exist</I> 

<DD>The compute ID needed to compute pressure for thermodynamics does not

<DD>Self-explanatory. 

<DT><I>Temp ID for fix bond/swap does not exist</I> 

<DD>Self-explanatory. 

<DT><I>Temp ID for fix nph does not exist</I> 

<DD>The compute ID needed to compute temperature for the fix does not

<DD>The compute ID needed to compute temperature for the fix does not

exist. 

<DT><I>Temp ID for fix press/berendsen does not exist</I> 

<DD>Self-explanatory. 

<DT><I>Temp ID for fix temp/berendsen does not exist</I> 

<DD>Self-explanatory. 

<DT><I>Temp ID for fix temp/rescale does not exist</I> 

<DD>The compute ID needed to compute temperature for the fix does not

<DD>The temper command cannot be used before a read_data, read_restart, or

create_box command. 

<DT><I>Temperature for fix nvt/sllod does not have a bias</I> 

<DD>The specified compute must compute temperature with a bias. 

<DT><I>Temperature region ID does not exist</I> 

<DD>The region ID specified in the temperature command does not exist. 

<DD>The fix ID specified by the temper command does not exist. 

<DT><I>Tempering fix is not valid</I> 

<DT><I>Tempering temperature fix is not valid</I> 

<DD>The fix specified by the temper command is not one that controls

temperature (nvt or langevin). 

<DD>Calculating a thermo keyword before the first run is not allowed

because various quantities may not yet be initialized. 

<DT><I>Thermo style does not use drot</I> 

<DD>Cannot use thermo_modify to set this parameter since the thermo_style

is not computing this quantity. 

<DT><I>Thermo style does not use grot</I> 

<DD>Cannot use thermo_modify to set this parameter since the thermo_style

is not computing this quantity. 

<DT><I>Thermo style does not use press</I> 

<DD>Cannot use thermo_modify to set this parameter since the thermo_style

<DD>Self-explanatory. 

<DT><I>Variable name for compute sum does not exist</I> 

<DT><I>Variable name for compute reduce does not exist</I> 

<DD>Self-explanatory. 

<DD>Conformation of the 4 listed improper atoms is extreme; you may want

to check your simulation geometry. 

<DT><I>Kspace_modify slab param < 2.0 may cause unphysical behavior</I> 

<DD>The kspace_modify slab parameter should be larger to insure periodic

grids padded with empty space do not overlap. 

<DT><I>Less insertions than requested</I> 

<DD>Less atom insertions occurred on this timestep due to the fix insert

will integrate the body motion, but it would be more efficient to use

fix rigid. 

<DT><I>One or more atoms are time integrated more than once</I> 

<DD>This is probably an error since you typically do not want to

advance the positions or velocities of an atom more than once

per timestep. 

<DT><I>One or more respa levels compute no forces</I> 

<DD>This is computationally inefficient. 

cluster specified by the fix shake command is numerically suspect.  LAMMPS

will set it to 0.0 and continue. 

<DT><I>Slab parameter < 2.0 may cause unphysical behavior</I> 

<DD>The kspace_modify slab parameter should be larger to insure periodic

grids padded with empty space do not overlap. 

<DT><I>System is not charge neutral, net charge = %g</I> 

<DD>The total charge on all atoms on the system is not 0.0, which