diff --git a/doc/Section_errors.html b/doc/Section_errors.html index 18a4740707..80c991bd6f 100644 --- a/doc/Section_errors.html +++ b/doc/Section_errors.html @@ -263,7 +263,7 @@ angle_coeff command.
Self-explanatory. -
Angle style hybrid cannot use same angle style twice +
Angle style hybrid cannot use same pair style twice
Self-explanatory. @@ -316,6 +316,10 @@ still being processed.
Argument of arcsin() must be between -1 and 1. +
At least 1 proc could not allocate a CUDA gpu or memory + +
You are not setup correctly to use a GPU from your CPU. +
At least one process could not allocate a CUDA-enabled gpu
Self-explanatory. @@ -328,6 +332,13 @@ still being processed.
Self-explanatory. +
Atom IDs must be consecutive for dump xyz all + +
This is a requirement since XYZ files do not list the atom IDs. +When using group all, the output is sorted by ID so that +the atoms will be in a consistent order for different snapshots. +This sorting requires the IDs be consecutive. +
Atom IDs must be consecutive for dump xyz
Self-explanatory. @@ -495,10 +506,9 @@ bond_coeff command.
Self-explanatory. -
Bond style hybrid cannot use same bond style twice +
Bond style hybrid cannot use same pair style twice -
The sub-style arguments of bond_style hybrid cannot be duplicated. -Check the input script. +
Self-explanatory.
Bond style quartic cannot be used with 3,4-body interactions @@ -513,6 +523,10 @@ bond style quartic.
List of bond table parameters must include N setting. +
Bond table values are not increasing + +
The values in the tabulated file must be monotonically increasing. +
Bond_coeff command before bond_style is defined
Coefficients cannot be set in the data file or via the bond_coeff @@ -555,6 +569,16 @@ or create_box command.
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 not specify Pxy/Pxz/Pyz in fix box/relax with non-triclinic box + +
Only triclinic boxes can be used with off-diagonal pressure components. +See the region prism command for details. + +
Can not specify Pxy/Pxz/Pyz in fix nvt/npt/nph with non-triclinic box + +
Only triclinic boxes can be used with off-diagonal pressure components. +See the region prism command for details. +
Cannot (yet) use PPPM with triclinic box
This feature is not yet supported. @@ -596,6 +620,12 @@ but the atoms that have been defined have no IDs.
Must use the lattice command before using the create_atoms command. +
Cannot create_atoms after reading restart file with per-atom info + +
The per-atom info was stored to be used when by a fix that you +may re-define. If you add atoms before re-defining the fix, then +there will not be a correct amount of per-atom info. +
Cannot create_box after simulation box is defined
The create_box command cannot be used after a read_data, read_restart, @@ -634,23 +664,30 @@ a list to enable the atom_modify first command.
Group ID used in the delete_bonds command does not exist. -
Cannot fix deform on a non-periodic boundary - -
Only a periodic 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. +
The specified AIREBO potential file cannot be opened. Check that the +path and name are correct. + +
Cannot open COMB potential file %s + +
The specified COMB potential file cannot be opened. Check that the +path and name are correct.
Cannot open EAM potential file %s
The specified EAM potential file cannot be opened. Check that the path and name are correct. +
Cannot open EIM potential file %s + +
The specified EIM 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 @@ -681,6 +718,11 @@ path and name are correct.
The specified file cannot be opened. Check that the path and name are correct. +
Cannot open fix ave/correlate file %s + +
The specified file cannot be opened. Check that the path and name are +correct. +
Cannot open fix ave/histo file %s
The specified file cannot be opened. Check that the path and name are @@ -705,6 +747,11 @@ correct.
The output file generated by the fix print command cannot be opened +
Cannot open fix qeq/comb file %s + +
The output file for the fix qeq/combs command cannot be opened. +Check that the path and name are correct. +
Cannot open fix reax/bonds file %s
The output file for the fix reax/bonds command cannot be opened. @@ -821,6 +868,10 @@ the undump command, then restart the dump file. Use the "restart 0" command to turn off restarts, then start them again. +
Cannot restart fix rigid/nvt with different # of chains + +
This is because the restart file contains per-chain info. +
Cannot run 2d simulation with nonperiodic Z dimension
Use the boundary command to make the z dimension periodic in order to @@ -893,7 +944,7 @@ setting in order to use a middle setting.
This is a current restriction of PRD. You must turn off sorting, which is enabled by default, via the atom_modify command. -
Cannot use PRD with multi-proc replicas unless atom map exists +
Cannot use PRD with multi-processor replicas unless atom map exists
Use the atom_modify command to create an atom map. @@ -921,9 +972,27 @@ an atom map to be created.
Self-explanatory. +
Cannot use fix box/relax on a 2nd non-periodic dimension + +
When specifying an off-diagonal pressure component, the 2nd of the two +dimensions must be periodic. E.g. if the xy component is specified, +then the y dimension must be periodic. +
Cannot use fix box/relax on a non-periodic dimension -
Only periodic dimensions can be controlled with this fix. +
When specifying a diagonal pressure component, the dimension must be +periodic. + +
Cannot use fix deform on a 2nd non-periodic boundary + +
When specifying a tilt factor change, the 2nd of the two dimensions +must be periodic. E.g. if the xy tilt is specified, then the y +dimension must be periodic. + +
Cannot use fix deform on a non-periodic boundary + +
When specifying a change is a box dimension, the dimension must be +periodic.
Cannot use fix deform trate on a box with zero tilt @@ -933,34 +1002,33 @@ an atom map to be created.
Self-explanatory. -
Cannot use fix nph on a non-periodic dimension +
Cannot use fix msst without per-type mass defined -
Only periodic dimensions can be controlled with this fix. +
Self-explanatory. -
Cannot use fix nph with triclinic box +
Cannot use fix npt and fix deform on same component of stress tensor -
This feature is not yet supported. +
This would be changing the same box dimension twice. -
Cannot use fix npt and fix deform on same dimension +
Cannot use fix nvt/npt/nph on a 2nd non-periodic dimension -
These commands both change the box size/shape, so you cannot use both -together. +
When specifying an off-diagonal pressure component, the 2nd of the two +dimensions must be periodic. E.g. if the xy component is specified, +then the y dimension must be periodic. -
Cannot use fix npt on a non-periodic dimension +
Cannot use fix nvt/npt/nph 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. +
When specifying a diagonal pressure component, the dimension must be +periodic.
Cannot use fix pour with triclinic box
This feature is not yet supported. -
Cannot use fix press/berendsen and fix deform on same dimension +
Cannot use fix press/berendsen and fix deform on same component of stress tensor -
Self-explanatory. +
These commands both change the box size/shape, so you cannot use both +together.
Cannot use fix press/berendsen on a non-periodic dimension @@ -1036,6 +1104,10 @@ non-periodic z dimension.
The correction factors are only currently defined for 3d systems. +
Cannot use ramp in variable formula between runs + +
This is because the ramp() function is time dependent. +
Cannot use region INF or EDGE when box does not exist
Regions that extend to the box boundaries can only be used after the @@ -1045,6 +1117,16 @@ create_box command has been used.
Atom IDs are not defined, so they cannot be used to identify an atom. +
Cannot use variable energy with constant force in fix addforce + +
This is because for constant force, LAMMPS can compute the change +in energy directly. + +
Cannot use variable every setting for dump dcd + +
The format of DCD dump files requires snapshots be output +at a constant frequency. +
Cannot use velocity create loop all unless atoms have IDs
Atoms in the simulation to do not have IDs, so this style @@ -1076,10 +1158,6 @@ triclinic.
Self-explanatory. -
Compute ID for compute heat/flux does not exist - -
Self-explanatory. -
Compute ID for compute reduce does not exist
Self-explanatory. @@ -1088,6 +1166,10 @@ triclinic.
Self-explanatory. +
Compute ID for fix ave/correlate does not exist + +
Self-explanatory. +
Compute ID for fix ave/histo does not exist
Self-explanatory. @@ -1100,6 +1182,10 @@ triclinic.
Self-explanatory. +
Compute ID for fix store/state does not exist + +
Self-explanatory. +
Compute ID must be alphanumeric or underscore characters
Self-explanatory. @@ -1190,13 +1276,17 @@ developers.
Self-explanatory. +
Compute heat/flux compute ID does not compute ke/atom + +
Self-explanatory. +
Compute heat/flux compute ID does not compute pe/atom
Self-explanatory. -
Compute heat/flux requires ghost atoms store velocity +
Compute heat/flux compute ID does not compute stress/atom -
Use the communicate vel yes command to enable this. +
Self-explanatory.
Compute improper/local used when impropers are not allowed @@ -1246,13 +1336,9 @@ togther. E.g. bond and angle quantities cannot be mixed.
Self-explanatory. -
Compute reduce compute does not calculate a global array +
Compute reduce compute calculates global values -
Self-explanatory. - -
Compute reduce compute does not calculate a global vector - -
Self-explanatory. +
A compute that calculates peratom or local values is required.
Compute reduce compute does not calculate a local array @@ -1274,13 +1360,9 @@ togther. E.g. bond and angle quantities cannot be mixed.
Self-explanatory. -
Compute reduce fix does not calculate a global array +
Compute reduce fix calculates global values -
Self-explanatory. - -
Compute reduce fix does not calculate a global vector - -
Self-explanatory. +
A fix that calculates peratom or local values is required.
Compute reduce fix does not calculate a local array @@ -1298,10 +1380,6 @@ togther. E.g. bond and angle quantities cannot be mixed.
Self-explanatory. -
Compute reduce region ID does not exist - -
Self-explanatory. -
Compute reduce replace requires min or max mode
Self-explanatory. @@ -1500,6 +1578,10 @@ does not exist.
A group ID used in the fix command does not exist. +
Could not find fix msst compute ID + +
Self-explanatory. +
Could not find fix poems group ID
A group ID used in the fix poems command does not exist. @@ -1577,6 +1659,18 @@ not exist.
The compute ID needed by the velocity command to compute temperature does not exist. +
Could not grab element entry from EIM potential file + +
Self-explanatory + +
Could not grab global entry from EIM potential file + +
Self-explanatory. + +
Could not grab pair entry from EIM potential file + +
Self-explanatory. +
Could not set finite-size particle attribute in fix rigid
The particle has a finite size but its attributes could not be @@ -1618,6 +1712,10 @@ the bodies in a ring (or cycle).
Invalid set of 3 lattice vectors for lattice command. +
Delete region ID does not exist + +
Self-explanatory. +
Delete_atoms command before simulation box is defined
The delete_atoms command cannot be used before a read_data, @@ -1666,6 +1764,10 @@ weighting list via the special keyword.
Keyword used in pair_coeff command was not found in table file. +
Did not set temp for fix rigid/nvt + +
The temp keyword must be used. +
Dihedral atom missing in delete_bonds
The delete_bonds command cannot find one or more atoms in a particular @@ -1769,6 +1871,11 @@ non-orthogonal.
Self-explanatory. +
Divide by 0 in influence function of pair peri/lps + +
This should not normally occur. It is likely a problem with your +model. +
Divide by 0 in variable formula
Self-explanatory. @@ -1830,10 +1937,6 @@ needs them.
Only atom-style variables generate per-atom quantities, needed for dump output. -
Dump dcd cannot dump unwrapped coords with triclinic box - -
Cannot use unwrap option with non-orthogonal simulation box. -
Dump dcd must use group all
Self-explanatory. @@ -1842,6 +1945,10 @@ dump output.
Every snapshot written by dump dcd must contain the same # of atoms. +
Dump every variable returned a bad timestep + +
The variable must return a timestep greater than the current timestep. +
Dump in CFG format requires one snapshot per file
Self-explanatory. @@ -1948,13 +2055,19 @@ needs them.
The chosen atom style does not define the per-atom quantity being dumped. +
Dumping an atom quantity that isn't allocated + +
Only per-atom quantities that are defined for the atom style being +used are allowed. +
Electronic temperature dropped below zero
Something has gone wrong with the fix ttm electron temperature model. -
Empty brackets in input command +
Empty brackets in variable -
A value inside the brackets is required for this formula element. +
There is no variable syntax that uses empty brackets. Check +the variable doc page.
Energy was not tallied on needed timestep @@ -1966,9 +2079,17 @@ variable doc page for ideas on how to make this work.
The quantity being read is an integer on non-numeric value. +
Expected floating point parameter in variable definition + +
The quantity being read is a non-numeric value. +
Expected integer parameter in input script or data file -
The quantity being read is a floating point on non-numeric value. +
The quantity being read is a floating point or non-numeric value. + +
Expected integer parameter in variable definition + +
The quantity being read is a floating point or non-numeric value.
Failed to allocate %d bytes for array %s @@ -1992,6 +2113,10 @@ smaller simulation or on more processors.
Self-explanatory. +
Fix ID for fix ave/correlate does not exist + +
Self-explanatory. +
Fix ID for fix ave/histo does not exist
Self-explanatory. @@ -2004,13 +2129,34 @@ smaller simulation or on more processors.
Self-explanatory. +
Fix ID for fix store/state does not exist + +
Self-explanatory +
Fix ID must be alphanumeric or underscore characters
Self-explanatory. -
Fix addforce region ID does not exist +
Fix adapt atom attribute is not recognized -
Self-explanatory. +
Self-explanatory + +
Fix adapt pair parameter is not recognized + +
Self-explanatory + +
Fix adapt pair style does not exist + +
Self-explanatory + +
Fix adapt pair types are not valid + +
The specified types must be between 1 and Ntypes and be +used by the pair style. + +
Fix adapt requires atom attribute diameter + +
The atom style being used does not specify an atom diameter.
Fix ave/atom compute array is accessed out-of-range @@ -2267,10 +2413,6 @@ per-atom quantity) can be used with fix ave/time.
A variable used by fix ave/time must generate a global value. -
Fix aveforce region ID does not exist - -
Self-explanatory. -
Fix bond/break requires special_bonds = 0,1,1
This is a restriction of the current fix bond/break implementation. @@ -2296,6 +2438,11 @@ pairwise neighbor list.
Self-explanatory. +
Fix box/relax generated negative box length + +
The pressure being applied is likely too large. Try applying +it incrementally, to build to the high pressure. +
Fix command before simulation box is defined
The fix command cannot be used before a read_data, read_restart, or @@ -2316,10 +2463,6 @@ is a triclinic (non-orthogonal) box.
Cannot use volume style unless other dimensions are being controlled. -
Fix deposit region ID does not exist - -
Self-explanatory -
Fix deposit region cannot be dynamic
Only static regions can be used with fix deposit. @@ -2329,15 +2472,24 @@ is a triclinic (non-orthogonal) box.
Not all regions represent bounded volumes. You cannot use such a region with the fix deposit command. -
Fix evaporate region ID does not exist +
Fix evaporate molecule requires atom attribute molecule -
Self-explanatory +
The atom style being used does not define a molecule ID. + +
Fix external callback function not set + +
This must be done by an external program in order to use this fix.
Fix for fix ave/atom not computed at compatible time
Fixes generate their values on specific timesteps. Fix ave/atom is requesting a value on a non-allowed timestep. +
Fix for fix ave/correlate not computed at compatible time + +
Fixes generate their values on specific timesteps. Fix ave/correlate +is requesting a value on a non-allowed timestep. +
Fix for fix ave/histo not computed at compatible time
Fixes generate their values on specific timesteps. Fix ave/histo is @@ -2353,6 +2505,11 @@ requesting a value on a non-allowed timestep.
Fixes generate their values on specific timesteps. Fix ave/time is requesting a value on a non-allowed timestep. +
Fix for fix store/state not computed at compatible time + +
Fixes generate their values on specific timesteps. Fix store/state +is requesting a value on a non-allowed timestep. +
Fix freeze requires atom attribute torque
The atom style defined does not have this attribute. @@ -2399,29 +2556,31 @@ requesting the values on a non-allowed timestep.
Self-explanatory. -
Fix nph periods must be > 0.0 +
Fix msst compute ID does not compute potential energy -
The time window for pressure relaxation must be > 0 +
Self-explanatory. -
Fix npt periods must be > 0.0 +
Fix msst compute ID does not compute pressure -
The time window for temperature or pressure relaxation must be > 0 +
Self-explanatory. -
Fix npt/asphere cannot be used with atom attributes diameter or rmass +
Fix msst compute ID does not compute temperature -
An atom style that defines these attributes must be used. +
Self-explanatory. -
Fix npt/asphere requires atom attributes quat, angmom, torque, shape +
Fix msst requires a periodic box -
An atom style that specifies these quantities is needed. +
Self-explanatory. -
Fix npt/sphere requires atom attribute radius or shape +
Fix msst tscale must satisfy 0 <= tscale < 1 -
An atom style that defines these attributes must be used. +
Self-explanatory. -
Fix npt/sphere requires atom attributes omega, torque +
Fix npt/nph has tilted box too far - box flips are not yet implemented -
An atom style that specifies these quantities is needed. +
This feature has not yet been added. However, if you are applying +an off-diagonal pressure to a fluid, the box may want to tilt indefinitely, +because the fluid cannot support the pressure you are imposing.
Fix nve/asphere cannot be used with atom attributes diameter or rmass @@ -2436,14 +2595,14 @@ used.
This fix can only be used for particles with a shape setting. +
Fix nve/sphere requires atom attribute diameter or shape + +
An atom style that specifies these quantities is needed. +
Fix nve/sphere requires atom attribute mu
An atom style with this attribute is needed. -
Fix nve/sphere requires atom attribute radius or shape - -
An atom style that specifies these quantities is needed. -
Fix nve/sphere requires atom attributes omega, torque
An atom style with these attributes is needed. @@ -2456,30 +2615,30 @@ used.
Self-explanatory. -
Fix nvt period must be > 0.0 +
Fix nvt/nph/npt asphere cannot be used with atom attributes diameter or rmass -
The time window for temperature relaxation must be > 0 +
Those attributes are for spherical particles. -
Fix nvt/asphere cannot be used with atom attributes diameter or rmass +
Fix nvt/nph/npt asphere requires atom attributes quat, angmom, torque, shape -
These attributes override the shape and mass settings, so cannot be -used. +
Those attributes are what are used to define aspherical particles. -
Fix nvt/asphere requires atom attributes quat, angmom, torque, shape +
Fix nvt/nph/npt asphere requires extended particles + +
The shape setting for a particle in the fix group has shape = 0.0, +which means it is a point particle. + +
Fix nvt/nph/npt sphere requires atom attribute diameter or shape
An atom style that specifies these quantities is needed. -
Fix nvt/asphere requires extended particles +
Fix nvt/nph/npt sphere requires atom attributes omega, torque -
This fix can only be used for particles of a finite size. +
Those attributes are what are used to define spherical particles. -
Fix nvt/sphere requires atom attribute radius or shape +
Fix nvt/npt/nph damping parameters must be > 0.0 -
An atom style with these attributes is needed. - -
Fix nvt/sphere requires atom attributes omega, torque - -
An atom style with these attributes is needed. +
Self-explanatory.
Fix nvt/sphere requires extended particles @@ -2504,6 +2663,10 @@ specified file. error occurs, it is likely a bug, so send an email to the developers. +
Fix peri neigh does not exist + +
Somehow a fix that the pair style defines has been deleted. +
Fix pour region ID does not exist
Self-explanatory. @@ -2521,10 +2684,18 @@ such a region with the fix pour command.
The atom style defined does not have these attributes. -
Fix press/berendsen period must be > 0.0 +
Fix press/berendsen damping parameters must be > 0.0
Self-explanatory. +
Fix qeq/comb group has no atoms + +
Self-explanatory. + +
Fix qeq/comb requires atom attribute q + +
An atom style with charge must be used to perform charge equilibration. +
Fix reax/bonds numbonds > nsbmax_most
The limit of the number of bonds expected by the ReaxFF force field @@ -2534,6 +2705,10 @@ was exceeded.
Self-explanatory. +
Fix rigid/nvt period must be > 0.0 + +
Self-explanatory +
Fix rigid: Bad principal moments
The principal moments of inertia computed for a rigid body @@ -2548,6 +2723,48 @@ it turns off bonds that should contribute to the energy.
Self-explanatory. +
Fix store/state compute array is accessed out-of-range + +
Self-explanatory. + +
Fix store/state compute does not calculate a per-atom array + +
The compute calculates a per-atom vector. + +
Fix store/state compute does not calculate a per-atom vector + +
The compute calculates a per-atom vector. + +
Fix store/state compute does not calculate per-atom values + +
Computes that calculate global or local quantities cannot be used +with fix store/state. + +
Fix store/state fix array is accessed out-of-range + +
Self-explanatory. + +
Fix store/state fix does not calculate a per-atom array + +
The fix calculates a per-atom vector. + +
Fix store/state fix does not calculate a per-atom vector + +
The fix calculates a per-atom array. + +
Fix store/state fix does not calculate per-atom values + +
Fixes that calculate global or local quantities cannot be used with +fix store/state. + +
Fix store/state for atom property that isn't allocated + +
Self-explanatory. + +
Fix store/state variable is not atom-style variable + +
Only atom-style variables calculate per-atom quantities. +
Fix temp/berendsen period must be > 0.0
Self-explanatory. @@ -2656,7 +2873,7 @@ this fix.
Self-explanatory. -
Fix wall/region region ID does not exist +
Fix_modify order must be 3 or 5
Self-explanatory. @@ -2672,6 +2889,10 @@ this fix.
When using a "*" in the restart file name, no matching file was found. +
Gravity changed since fix pour was created + +
Gravity must be static and not dynamic for use with fix pour. +
Gravity must point in -y to use with fix pour in 2d
Gravity must be pointing "down" in a 2d box. @@ -2703,6 +2924,11 @@ create_box command. documentation for the command. You can use -echo screen as a command-line option when running LAMMPS to see the offending line. +
Illegal COMB parameter + +
One or more of the coefficients defined in the potential file is +invalid. +
Illegal Stillinger-Weber parameter
One or more of the coefficients defined in the potential file is @@ -2717,6 +2943,18 @@ invalid.
The name is too long to be a chemical element. +
Illegal number of angle table entries + +
There must be at least 2 table entries. + +
Illegal number of bond table entries + +
There must be at least 2 table entries. + +
Illegal number of pair table entries + +
There must be at least 2 table entries. +
Illegal simulation box
The lower bound of the simulation box is greater than the upper bound. @@ -2839,6 +3077,10 @@ the atom style.
The element names in the EAM file do not match those requested. +
Incorrect format in COMB potential file + +
Incorrect number of words per line in the potential file. +
Incorrect format in MEAM potential file
Incorrect number of words per line in the potential file. @@ -2872,9 +3114,9 @@ of the data file. The read-in lines do not match.
Self-explanatory. Check the input script or data file. -
Index between input command brackets must be positive +
Index between variable brackets must be positive -
Self-explantory. +
Self-explanatory.
Indexed per-atom vector in variable formula without atom map @@ -3200,32 +3442,34 @@ to be written by each processor.
Fix box/relax styles involving the z dimension cannot be used in a 2d simulation. -
Invalid fix nph command for a 2d simulation +
Invalid fix box/relax command pressure settings -
Cannot use style xy, yz, or xz for a 2d simulation. +
If multiple dimensions are coupled, those dimensions must be specified. -
Invalid fix nph command pressure settings +
Invalid fix box/relax pressure settings -
Pressure settings for different components must be the same if -the components are coupled. +
Settings for coupled dimensions must be the same. -
Invalid fix npt command for a 2d simulation +
Invalid fix nvt/npt/nph command for a 2d simulation -
Cannot use style xy, yz, or xz for a 2d simulation. +
Cannot control z dimension in a 2d model. -
Invalid fix npt command pressure settings +
Invalid fix nvt/npt/nph command pressure settings -
Pressure settings for different components must be the same if -the components are coupled. +
If multiple dimensions are coupled, those dimensions must be +specified. -
Invalid fix press/berendsen command for a 2d simulation +
Invalid fix nvt/npt/nph pressure settings -
Can only use xyz or aniso styles in 2d. +
Settings for coupled dimensions must be the same. -
Invalid fix press/berendsen command pressure settings +
Invalid fix press/berendsen for a 2d simulation -
Pressure settings for different components must be the same if -the components are coupled. +
The z component of pressure cannot be controlled for a 2d model. + +
Invalid fix press/berendsen pressure settings + +
Settings for coupled dimensions must be the same.
Invalid fix style @@ -3332,9 +3576,13 @@ improper types.
Self-explanatory. -
Invalid math or group function in variable formula +
Invalid math function in variable formula -
The math or group function is not recognized. +
Self-explanatory. + +
Invalid math/group/special function in variable formula + +
Self-explanatory.
Invalid natoms for dump dcd @@ -3423,6 +3671,10 @@ integer.
Self-explanatory. +
Invalid special function in variable formula + +
Self-explanatory. +
Invalid style in pair_write command
Self-explanatory. Check the input script. @@ -3555,7 +3807,7 @@ component.
2d simulation can use sq, sq2, or hex lattice. 3d simulation can use sc, bcc, or fcc lattice. -
Log of zero/negative in variable formula +
Log of zero/negative value in variable formula
Self-explanatory. @@ -3595,7 +3847,7 @@ explicitly deleted by a uncompute command.
The minimize command cannot be used before a read_data, read_restart, or create_box command. -
Mismatched brackets in input command +
Mismatched brackets in variable
Self-explanatory. @@ -3795,16 +4047,20 @@ command. 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 pair_style comb with fix qeq/comb + +
Self-explanatory. + +
Must use variable energy with fix addforce + +
Must define an energy vartiable when applyting a dynamic +force during minimization. +
Needed topology not in data file
The header of the data file indicated that bonds or angles or @@ -3895,6 +4151,10 @@ output to dump file.
Self-explanatory. +
No fix gravity defined for fix pour + +
Cannot add poured particles without gravity to move them. +
No improper style is defined for compute improper/local
Self-explanatory. @@ -3908,6 +4168,10 @@ output to dump file.
The EAM potential file does not contain elements that match the requested elements. +
No pair style defined for compute group/group + +
Cannot calculate group interactions without a pair style defined. +
No pair style is defined for compute pair/local
Self-explanatory. @@ -3920,9 +4184,9 @@ requested elements.
The fix specification did not end up defining any rigid bodies. -
Non digit character between brackets in input command +
Non digit character between brackets in variable -
Self-explanatory. +
Self-explantory.
Non integer # of swaps in temper command @@ -3939,6 +4203,10 @@ contain the same atom.
Any rigid body defined by the fix rigid command must contain 2 or more atoms. +
Out of memory on GPGPU + +
You are attempting to run with too many atoms on the GPU. +
Out of range atoms - cannot compute PPPM
One or more atoms are attempting to map their charge to a PPPM grid @@ -3955,6 +4223,14 @@ outside a processor's sub-domain or even the entire simulation box. This indicates bad physics, e.g. due to highly overlapping atoms, too large a timestep, etc. +
Overlapping large/large in pair colloid + +
This potential is infinite when there is an overlap. + +
Overlapping small/large in pair colloid + +
This potential is inifinte when there is an overlap. +
POEMS fix must come before NPT/NPH fix
NPT/NPH fix must be defined in input script after all poems fixes, @@ -4041,6 +4317,11 @@ have these 3 coefficients set at least once.
This is a current restriction of the implementation of pair granular styles with history. +
Pair hybrid sub-style does not support single call + +
You are attempting to invoke a single() call on a pair style +that doesn't support it. +
Pair hybrid sub-style is not used
No pair_coeff command used a sub-style specified in the pair_style @@ -4094,6 +4375,14 @@ setting.
Even for atomic systems, an atom map is required to find Peridynamic bonds. Use the atom_modify command to define one. +
Pair reax NATDEF setting too small, edit lib/reax/reax_defs.h + +
Edit the Fortran header file in the library, and re-compile LAMMPS. + +
Pair reax NNEIGHMAXDEF setting too small, edit lib/reax/reax_defs.h + +
Edit the Fortran header file in the library, and re-compile LAMMPS. +
Pair resquared cannot be used with atom attribute diameter
This attribute overrides the shape settings, so cannot be used. @@ -4116,8 +4405,22 @@ bonds. Use the atom_modify command to define one.
Pair style AIREBO requires newton pair on +
See the newton command. This is a restriction to use the AIREBO +potential. + +
Pair style COMB requires atom IDs + +
This is a requirement to use the AIREBO potential. + +
Pair style COMB requires atom attribute q +
Self-explanatory. +
Pair style COMB requires newton pair on + +
See the newton command. This is a restriction to use the COMB +potential. +
Pair style MEAM requires newton pair on
See the newton command. This is a restriction to use the MEAM @@ -4167,11 +4470,6 @@ not be invoked by bond_style quartic.
The pair_style does not have a single() function, so it cannot be invokded by the compute group/group command. -
Pair style does not support compute heat/flux - -
The pair style does not have a single() function, so it can -not be invoked by compute heat/flux. -
Pair style does not support compute pair/local
The pair style does not have a single() function, so it can @@ -4262,6 +4560,11 @@ molecule adds forces to atoms owned by other processors.
An atom_style with this attribute is needed. +
Pair style peri_lps requires atom style peri + +
This is because atom style peri stores quantities needed by +the peridynamic potential. +
Pair style peri_pmb requires atom style peri
This is because atom style peri stores quantities needed by @@ -4346,10 +4649,6 @@ variable doc page for ideas on how to make this work.
Self-explanatory. -
Per-atom virial not available with GPU lj/cut - -
Self-explanatory. -
Per-atom virial was not tallied on needed timestep
You are using a thermo keyword that requires potentials to have @@ -4379,15 +4678,9 @@ exist.
Self-explanatory. -
Pressure ID for fix nph does not exist +
Pressure ID for fix npt/nph does not exist -
The compute ID needed to compute pressure for the fix does not -exist. - -
Pressure ID for fix npt does not exist - -
The compute ID needed to compute pressure for the fix does not -exist. +
Self-explanatory.
Pressure ID for fix press/berendsen does not exist @@ -4399,10 +4692,49 @@ exist.
The compute ID needed to compute pressure for thermodynamics does not exist. -
Proc grid in z != 1 for 2d simulation +
Pressure control can not be used with fix nvt/asphere -
There cannot be more than 1 processor in the z dimension of a 2d -simulation. +
Self-explanatory. + +
Pressure control can not be used with fix nvt/sllod + +
Self-explanatory. + +
Pressure control can not be used with fix nvt/sphere + +
Self-explanatory. + +
Pressure control can not be used with fix nvt + +
Self-explanatory. + +
Pressure control must be used with fix nph/asphere + +
Self-explanatory. + +
Pressure control must be used with fix nph/sphere + +
Self-explanatory. + +
Pressure control must be used with fix nph + +
Self-explanatory. + +
Pressure control must be used with fix npt/asphere + +
Self-explanatory. + +
Pressure control must be used with fix npt/sphere + +
Self-explanatory. + +
Pressure control must be used with fix npt + +
Self-explanatory. + +
Processor count in z must be 1 for 2d simulation + +
Self-explanatory.
Processor partitions are inconsistent @@ -4423,6 +4755,54 @@ rigid command.
Equilibrium spring length is invalid. +
Region ID for compute reduce/region does not exist + +
Self-explanatory. + +
Region ID for compute temp reduce/region does not exist + +
Self-explanatory. + +
Region ID for compute temp/region does not exist + +
Self-explanatory. + +
Region ID for dump cfg does not exist + +
Self-explanatory. + +
Region ID for dump custom does not exist + +
Self-explanatory. + +
Region ID for fix addforce does not exist + +
Self-explanatory. + +
Region ID for fix aveforce does not exist + +
Self-explanatory. + +
Region ID for fix deposit does not exist + +
Self-explanatory. + +
Region ID for fix evaporate does not exist + +
Self-explanatory. + +
Region ID for fix heat does not exist + +
Self-explanatory. + +
Region ID for fix setforce does not exist + +
Self-explanatory. + +
Region ID for fix wall/region does not exist + +
Self-explanatory. +
Region cannot have 0 length rotation vector
Self-explanatory. @@ -4577,7 +4957,7 @@ SHAKE fix contribution to the pressure virial is incorrect.
Self-explanatory. -
Sqrt of negative in variable formula +
Sqrt of negative value in variable formula
Self-explanatory. @@ -4601,11 +4981,11 @@ within a water molecule.
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 +
Target temperature for fix nvt/npt/nph cannot be 0.0
Self-explanatory. -
Target T for fix nvt cannot be 0.0 +
Target temperature for fix rigid/nvt cannot be 0.0
Self-explanatory. @@ -4622,15 +5002,7 @@ create_box command.
Self-explanatory. -
Temperature ID for fix nph does not exist - -
Self-explanatory. - -
Temperature ID for fix npt does not exist - -
Self-explanatory. - -
Temperature ID for fix nvt does not exist +
Temperature ID for fix nvt/nph/npt does not exist
Self-explanatory. @@ -4646,14 +5018,50 @@ create_box command.
Self-explanatory. +
Temperature control can not be used with fix nph/asphere + +
Self-explanatory. + +
Temperature control can not be used with fix nph/sphere + +
Self-explanatory. + +
Temperature control can not be used with fix nph + +
Self-explanatory. + +
Temperature control must be used with fix npt/asphere + +
Self-explanatory. + +
Temperature control must be used with fix npt/sphere + +
Self-explanatory. + +
Temperature control must be used with fix npt + +
Self-explanatory. + +
Temperature control must be used with fix nvt/asphere + +
Self-explanatory. + +
Temperature control must be used with fix nvt/sllod + +
Self-explanatory. + +
Temperature control must be used with fix nvt/sphere + +
Self-explanatory. + +
Temperature control must be used with fix nvt + +
Self-explanatory. +
Temperature for fix nvt/sllod does not have a bias
The specified compute must compute temperature with a bias. -
Temperature region ID does not exist - -
The region ID specified in the temperature command does not exist. -
Tempering could not find thermo_pe compute
This compute is created by the thermo command. It must have been @@ -4702,6 +5110,10 @@ does not match these timesteps.
Only equal-style variables can be output with thermodynamics, not atom-style variables. +
Thermo every variable returned a bad timestep + +
The variable must return a timestep greater than the current timestep. +
Thermo fix array is accessed out-of-range
Self-explanatory. @@ -4722,6 +5134,10 @@ atom-style variables.
Self-explanatory. +
Thermo keyword in variable requires lattice be defined + +
The xlat, ylat, zlat keywords refer to lattice properties. +
Thermo keyword in variable requires thermo to use/init pe
You are using a thermo keyword in a variable that requires @@ -4740,6 +5156,10 @@ thermo output. to be calculated, but your thermo output does not use it. Add it to your thermo output. +
Thermo keyword requires lattice be defined + +
The xlat, ylat, zlat keywords refer to lattice properties. +
Thermo style does not use press
Cannot use thermo_modify to set this parameter since the thermo_style @@ -4763,6 +5183,11 @@ is not computing this quantity.
The thermo_style command cannot be used before a read_data, read_restart, or create_box command. +
This variable thermo keyword cannot be used between runs + +
Keywords that refer to time (such as cpu, elapsed) do not +make sense in between runs. +
Threshhold for an atom property that isn't allocated
A dump threshhold has been requested on a quantity that is @@ -4824,10 +5249,6 @@ a value of N generates a 2^N size table. MAXTOUCH parameter in fix_shear_history.cpp must be set larger and LAMMPS must be re-built. -
Total # of atoms exceeds maximum allowed per GPGPU - -
See the doc page for a description of this memory limit. -
Tree structure in joint connections
Fix poems cannot (yet) work with coupled bodies whose joints connect @@ -4955,6 +5376,11 @@ set to lattice.
Must use lattice command with fix wall command if units option is set to lattice. +
Use of fix wall/reflect with undefined lattice + +
If scale = lattice (the default) for the fix wall/reflect command, +then a lattice must first be defined via the lattice command. +
Use of region with undefined lattice
If scale = lattice (the default) for the region command, then a @@ -4979,14 +5405,58 @@ provided by "remap v" as a fix deform option.
Cannot evaluate a compute or fix or atom-based value in a variable before the simulation has been setup. +
Variable for dump every is invalid style + +
Only equal-style variables can be used. + +
Variable for fix adapt is invalid style + +
Only equal-style variables can be used. + +
Variable for fix aveforce is invalid style + +
Only equal-style variables can be used. + +
Variable for fix efield is invalid style + +
Only equal-style variables can be used. + +
Variable for fix indent is invalid style + +
Only equal-style variables can be used. + +
Variable for fix indent is not equal style + +
Only equal-style variables can be used. +
Variable for fix move is invalid style +
Only equal-style variables can be used. + +
Variable for fix setforce is invalid style + +
Only equal-style variables can be used. + +
Variable for fix wall/reflect is invalid style + +
Only equal-style variables can be used. + +
Variable for thermo every is invalid style + +
Only equal-style variables can be used. + +
Variable formula compute array is accessed out-of-range +
Self-explanatory.
Variable formula compute vector is accessed out-of-range
Self-explanatory. +
Variable formula fix array is accessed out-of-range + +
Self-explanatory. +
Variable formula fix vector is accessed out-of-range
Self-explanatory. @@ -4995,10 +5465,26 @@ before the simulation has been setup.
Self-explanatory. +
Variable name for dump every does not exist + +
Self-explanatory. + +
Variable name for fix adapt does not exist + +
Self-explanatory. + +
Variable name for fix addforce does not exist + +
Self-explanatory. +
Variable name for fix ave/atom does not exist
Self-explanatory. +
Variable name for fix ave/correlate does not exist + +
Self-explanatory. +
Variable name for fix ave/histo does not exist
Self-explanatory. @@ -5011,10 +5497,38 @@ before the simulation has been setup.
Self-explanatory. +
Variable name for fix aveforce does not exist + +
Self-explanatory. + +
Variable name for fix efield does not exist + +
Self-explanatory. + +
Variable name for fix indent does not exist + +
Self-explanatory. +
Variable name for fix move does not exist
Self-explanatory. +
Variable name for fix setforce does not exist + +
Self-explanatory. + +
Variable name for fix store/state does not exist + +
Self-explanatory. + +
Variable name for fix wall/relect does not exist + +
Self-explanatory. + +
Variable name for thermo every does not exist + +
Self-explanatory. +
Variable name must be alphanumeric or underscore characters
Self-explanatory. @@ -5250,6 +5764,14 @@ what you want.
This is computationally inefficient. +
Pair COMB charge %.10f with force %.10f hit max barrier + +
Something is possibly wrong with your model. + +
Pair COMB charge %.10f with force %.10f hit min barrier + +
Something is possibly wrong with your model. +
Pair dsmc: num_of_collisions > number_of_A
Collision model in DSMC is breaking down. @@ -5348,12 +5870,12 @@ is not valid for Ewald or PPPM.
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 +
Temperature for MSST 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 +
User-assigned temperature to MSST fix does not compute temperature for +all atoms. Since MSST computes a global pressure, the kinetic energy contribution from the temperature is assumed to also be for all atoms. -Thus the pressure used by NPH could be inaccurate. +Thus the pressure used by MSST could be inaccurate.
Temperature for NPT is not for group all diff --git a/doc/Section_errors.txt b/doc/Section_errors.txt index 45a9e38284..2ba0c7d63c 100644 --- a/doc/Section_errors.txt +++ b/doc/Section_errors.txt @@ -260,7 +260,7 @@ Self-explanatory. :dd Self-explanatory. :dd -{Angle style hybrid cannot use same angle style twice} :dt +{Angle style hybrid cannot use same pair style twice} :dt Self-explanatory. :dd @@ -313,6 +313,10 @@ Argument of arccos() must be between -1 and 1. :dd Argument of arcsin() must be between -1 and 1. :dd +{At least 1 proc could not allocate a CUDA gpu or memory} :dt + +You are not setup correctly to use a GPU from your CPU. :dd + {At least one process could not allocate a CUDA-enabled gpu} :dt Self-explanatory. :dd @@ -325,6 +329,13 @@ Self-explanatory. :dd Self-explanatory. :dd +{Atom IDs must be consecutive for dump xyz all} :dt + +This is a requirement since XYZ files do not list the atom IDs. +When using group all, the output is sorted by ID so that +the atoms will be in a consistent order for different snapshots. +This sorting requires the IDs be consecutive. :dd + {Atom IDs must be consecutive for dump xyz} :dt Self-explanatory. :dd @@ -492,10 +503,9 @@ Self-explanatory. :dd Self-explanatory. :dd -{Bond style hybrid cannot use same bond style twice} :dt +{Bond style hybrid cannot use same pair style twice} :dt -The sub-style arguments of bond_style hybrid cannot be duplicated. -Check the input script. :dd +Self-explanatory. :dd {Bond style quartic cannot be used with 3,4-body interactions} :dt @@ -510,6 +520,10 @@ This is a restriction of the current bond quartic implementation. :dd List of bond table parameters must include N setting. :dd +{Bond table values are not increasing} :dt + +The values in the tabulated file must be monotonically increasing. :dd + {Bond_coeff command before bond_style is defined} :dt Coefficients cannot be set in the data file or via the bond_coeff @@ -552,6 +566,16 @@ or create_box command. :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. :dd +{Can not specify Pxy/Pxz/Pyz in fix box/relax with non-triclinic box} :dt + +Only triclinic boxes can be used with off-diagonal pressure components. +See the region prism command for details. :dd + +{Can not specify Pxy/Pxz/Pyz in fix nvt/npt/nph with non-triclinic box} :dt + +Only triclinic boxes can be used with off-diagonal pressure components. +See the region prism command for details. :dd + {Cannot (yet) use PPPM with triclinic box} :dt This feature is not yet supported. :dd @@ -593,6 +617,12 @@ but the atoms that have been defined have no IDs. :dd Must use the lattice command before using the create_atoms command. :dd +{Cannot create_atoms after reading restart file with per-atom info} :dt + +The per-atom info was stored to be used when by a fix that you +may re-define. If you add atoms before re-defining the fix, then +there will not be a correct amount of per-atom info. :dd + {Cannot create_box after simulation box is defined} :dt The create_box command cannot be used after a read_data, read_restart, @@ -631,23 +661,30 @@ a list to enable the atom_modify first command. :dd Group ID used in the delete_bonds command does not exist. :dd -{Cannot fix deform on a non-periodic boundary} :dt - -Only a periodic boundary can be modified. :dd - {Cannot have both pair_modify shift and tail set to yes} :dt These 2 options are contradictory. :dd {Cannot open AIREBO potential file %s} :dt -Self-explanatory. :dd +The specified AIREBO potential file cannot be opened. Check that the +path and name are correct. :dd + +{Cannot open COMB potential file %s} :dt + +The specified COMB potential file cannot be opened. Check that the +path and name are correct. :dd {Cannot open EAM potential file %s} :dt The specified EAM potential file cannot be opened. Check that the path and name are correct. :dd +{Cannot open EIM potential file %s} :dt + +The specified EIM potential file cannot be opened. Check that the +path and name are correct. :dd + {Cannot open MEAM potential file %s} :dt The specified MEAM potential file cannot be opened. Check that the @@ -678,6 +715,11 @@ path and name are correct. :dd The specified file cannot be opened. Check that the path and name are correct. :dd +{Cannot open fix ave/correlate file %s} :dt + +The specified file cannot be opened. Check that the path and name are +correct. :dd + {Cannot open fix ave/histo file %s} :dt The specified file cannot be opened. Check that the path and name are @@ -702,6 +744,11 @@ correct. :dd The output file generated by the fix print command cannot be opened :dd +{Cannot open fix qeq/comb file %s} :dt + +The output file for the fix qeq/combs command cannot be opened. +Check that the path and name are correct. :dd + {Cannot open fix reax/bonds file %s} :dt The output file for the fix reax/bonds command cannot be opened. @@ -818,6 +865,10 @@ Changing the timestep will confuse when a restart file is written. Use the "restart 0" command to turn off restarts, then start them again. :dd +{Cannot restart fix rigid/nvt with different # of chains} :dt + +This is because the restart file contains per-chain info. :dd + {Cannot run 2d simulation with nonperiodic Z dimension} :dt Use the boundary command to make the z dimension periodic in order to @@ -890,7 +941,7 @@ PRD alters the timestep in ways that will mess up these regions. :dd This is a current restriction of PRD. You must turn off sorting, which is enabled by default, via the atom_modify command. :dd -{Cannot use PRD with multi-proc replicas unless atom map exists} :dt +{Cannot use PRD with multi-processor replicas unless atom map exists} :dt Use the atom_modify command to create an atom map. :dd @@ -918,9 +969,27 @@ Self-explanatory. :dd Self-explanatory. :dd +{Cannot use fix box/relax on a 2nd non-periodic dimension} :dt + +When specifying an off-diagonal pressure component, the 2nd of the two +dimensions must be periodic. E.g. if the xy component is specified, +then the y dimension must be periodic. :dd + {Cannot use fix box/relax on a non-periodic dimension} :dt -Only periodic dimensions can be controlled with this fix. :dd +When specifying a diagonal pressure component, the dimension must be +periodic. :dd + +{Cannot use fix deform on a 2nd non-periodic boundary} :dt + +When specifying a tilt factor change, the 2nd of the two dimensions +must be periodic. E.g. if the xy tilt is specified, then the y +dimension must be periodic. :dd + +{Cannot use fix deform on a non-periodic boundary} :dt + +When specifying a change is a box dimension, the dimension must be +periodic. :dd {Cannot use fix deform trate on a box with zero tilt} :dt @@ -930,34 +999,33 @@ The trate style alters the current strain. :dd Self-explanatory. :dd -{Cannot use fix nph on a non-periodic dimension} :dt +{Cannot use fix msst without per-type mass defined} :dt -Only periodic dimensions can be controlled with this fix. :dd +Self-explanatory. :dd -{Cannot use fix nph with triclinic box} :dt +{Cannot use fix npt and fix deform on same component of stress tensor} :dt -This feature is not yet supported. :dd +This would be changing the same box dimension twice. :dd -{Cannot use fix npt and fix deform on same dimension} :dt +{Cannot use fix nvt/npt/nph on a 2nd non-periodic dimension} :dt -These commands both change the box size/shape, so you cannot use both -together. :dd +When specifying an off-diagonal pressure component, the 2nd of the two +dimensions must be periodic. E.g. if the xy component is specified, +then the y dimension must be periodic. :dd -{Cannot use fix npt on a non-periodic dimension} :dt +{Cannot use fix nvt/npt/nph on a non-periodic dimension} :dt -Only periodic dimensions can be controlled with this fix. :dd - -{Cannot use fix npt with triclinic box} :dt - -This feature is not yet supported. :dd +When specifying a diagonal pressure component, the dimension must be +periodic. :dd {Cannot use fix pour with triclinic box} :dt This feature is not yet supported. :dd -{Cannot use fix press/berendsen and fix deform on same dimension} :dt +{Cannot use fix press/berendsen and fix deform on same component of stress tensor} :dt -Self-explanatory. :dd +These commands both change the box size/shape, so you cannot use both +together. :dd {Cannot use fix press/berendsen on a non-periodic dimension} :dt @@ -1033,6 +1101,10 @@ Self-explanatory. :dd The correction factors are only currently defined for 3d systems. :dd +{Cannot use ramp in variable formula between runs} :dt + +This is because the ramp() function is time dependent. :dd + {Cannot use region INF or EDGE when box does not exist} :dt Regions that extend to the box boundaries can only be used after the @@ -1042,6 +1114,16 @@ create_box command has been used. :dd Atom IDs are not defined, so they cannot be used to identify an atom. :dd +{Cannot use variable energy with constant force in fix addforce} :dt + +This is because for constant force, LAMMPS can compute the change +in energy directly. :dd + +{Cannot use variable every setting for dump dcd} :dt + +The format of DCD dump files requires snapshots be output +at a constant frequency. :dd + {Cannot use velocity create loop all unless atoms have IDs} :dt Atoms in the simulation to do not have IDs, so this style @@ -1073,10 +1155,6 @@ triclinic. :dd Self-explanatory. :dd -{Compute ID for compute heat/flux does not exist} :dt - -Self-explanatory. :dd - {Compute ID for compute reduce does not exist} :dt Self-explanatory. :dd @@ -1085,6 +1163,10 @@ Self-explanatory. :dd Self-explanatory. :dd +{Compute ID for fix ave/correlate does not exist} :dt + +Self-explanatory. :dd + {Compute ID for fix ave/histo does not exist} :dt Self-explanatory. :dd @@ -1097,6 +1179,10 @@ Self-explanatory. :dd Self-explanatory. :dd +{Compute ID for fix store/state does not exist} :dt + +Self-explanatory. :dd + {Compute ID must be alphanumeric or underscore characters} :dt Self-explanatory. :dd @@ -1187,13 +1273,17 @@ Self-explanatory. :dd Self-explanatory. :dd +{Compute heat/flux compute ID does not compute ke/atom} :dt + +Self-explanatory. :dd + {Compute heat/flux compute ID does not compute pe/atom} :dt Self-explanatory. :dd -{Compute heat/flux requires ghost atoms store velocity} :dt +{Compute heat/flux compute ID does not compute stress/atom} :dt -Use the communicate vel yes command to enable this. :dd +Self-explanatory. :dd {Compute improper/local used when impropers are not allowed} :dt @@ -1243,13 +1333,9 @@ Self-explanatory. :dd Self-explanatory. :dd -{Compute reduce compute does not calculate a global array} :dt +{Compute reduce compute calculates global values} :dt -Self-explanatory. :dd - -{Compute reduce compute does not calculate a global vector} :dt - -Self-explanatory. :dd +A compute that calculates peratom or local values is required. :dd {Compute reduce compute does not calculate a local array} :dt @@ -1271,13 +1357,9 @@ Self-explanatory. :dd Self-explanatory. :dd -{Compute reduce fix does not calculate a global array} :dt +{Compute reduce fix calculates global values} :dt -Self-explanatory. :dd - -{Compute reduce fix does not calculate a global vector} :dt - -Self-explanatory. :dd +A fix that calculates peratom or local values is required. :dd {Compute reduce fix does not calculate a local array} :dt @@ -1295,10 +1377,6 @@ Self-explanatory. :dd Self-explanatory. :dd -{Compute reduce region ID does not exist} :dt - -Self-explanatory. :dd - {Compute reduce replace requires min or max mode} :dt Self-explanatory. :dd @@ -1497,6 +1575,10 @@ Self-explanatory. :dd A group ID used in the fix command does not exist. :dd +{Could not find fix msst compute ID} :dt + +Self-explanatory. :dd + {Could not find fix poems group ID} :dt A group ID used in the fix poems command does not exist. :dd @@ -1574,6 +1656,18 @@ A group ID used in the velocity command does not exist. :dd The compute ID needed by the velocity command to compute temperature does not exist. :dd +{Could not grab element entry from EIM potential file} :dt + +Self-explanatory :dd + +{Could not grab global entry from EIM potential file} :dt + +Self-explanatory. :dd + +{Could not grab pair entry from EIM potential file} :dt + +Self-explanatory. :dd + {Could not set finite-size particle attribute in fix rigid} :dt The particle has a finite size but its attributes could not be @@ -1615,6 +1709,10 @@ the bodies in a ring (or cycle). :dd Invalid set of 3 lattice vectors for lattice command. :dd +{Delete region ID does not exist} :dt + +Self-explanatory. :dd + {Delete_atoms command before simulation box is defined} :dt The delete_atoms command cannot be used before a read_data, @@ -1663,6 +1761,10 @@ weighting list via the special keyword. :dd Keyword used in pair_coeff command was not found in table file. :dd +{Did not set temp for fix rigid/nvt} :dt + +The temp keyword must be used. :dd + {Dihedral atom missing in delete_bonds} :dt The delete_bonds command cannot find one or more atoms in a particular @@ -1766,6 +1868,11 @@ non-orthogonal. :dd Self-explanatory. :dd +{Divide by 0 in influence function of pair peri/lps} :dt + +This should not normally occur. It is likely a problem with your +model. :dd + {Divide by 0 in variable formula} :dt Self-explanatory. :dd @@ -1827,10 +1934,6 @@ Self-explanatory. :dd Only atom-style variables generate per-atom quantities, needed for dump output. :dd -{Dump dcd cannot dump unwrapped coords with triclinic box} :dt - -Cannot use unwrap option with non-orthogonal simulation box. :dd - {Dump dcd must use group all} :dt Self-explanatory. :dd @@ -1839,6 +1942,10 @@ Self-explanatory. :dd Every snapshot written by dump dcd must contain the same # of atoms. :dd +{Dump every variable returned a bad timestep} :dt + +The variable must return a timestep greater than the current timestep. :dd + {Dump in CFG format requires one snapshot per file} :dt Self-explanatory. :dd @@ -1945,13 +2052,19 @@ Self-explanatory. :dd The chosen atom style does not define the per-atom quantity being dumped. :dd +{Dumping an atom quantity that isn't allocated} :dt + +Only per-atom quantities that are defined for the atom style being +used are allowed. :dd + {Electronic temperature dropped below zero} :dt Something has gone wrong with the fix ttm electron temperature model. :dd -{Empty brackets in input command} :dt +{Empty brackets in variable} :dt -A value inside the brackets is required for this formula element. :dd +There is no variable syntax that uses empty brackets. Check +the variable doc page. :dd {Energy was not tallied on needed timestep} :dt @@ -1963,9 +2076,17 @@ variable doc page for ideas on how to make this work. :dd The quantity being read is an integer on non-numeric value. :dd +{Expected floating point parameter in variable definition} :dt + +The quantity being read is a non-numeric value. :dd + {Expected integer parameter in input script or data file} :dt -The quantity being read is a floating point on non-numeric value. :dd +The quantity being read is a floating point or non-numeric value. :dd + +{Expected integer parameter in variable definition} :dt + +The quantity being read is a floating point or non-numeric value. :dd {Failed to allocate %d bytes for array %s} :dt @@ -1989,6 +2110,10 @@ Self-explanatory. :dd Self-explanatory. :dd +{Fix ID for fix ave/correlate does not exist} :dt + +Self-explanatory. :dd + {Fix ID for fix ave/histo does not exist} :dt Self-explanatory. :dd @@ -2001,13 +2126,34 @@ Self-explanatory. :dd Self-explanatory. :dd +{Fix ID for fix store/state does not exist} :dt + +Self-explanatory :dd + {Fix ID must be alphanumeric or underscore characters} :dt Self-explanatory. :dd -{Fix addforce region ID does not exist} :dt +{Fix adapt atom attribute is not recognized} :dt -Self-explanatory. :dd +Self-explanatory :dd + +{Fix adapt pair parameter is not recognized} :dt + +Self-explanatory :dd + +{Fix adapt pair style does not exist} :dt + +Self-explanatory :dd + +{Fix adapt pair types are not valid} :dt + +The specified types must be between 1 and Ntypes and be +used by the pair style. :dd + +{Fix adapt requires atom attribute diameter} :dt + +The atom style being used does not specify an atom diameter. :dd {Fix ave/atom compute array is accessed out-of-range} :dt @@ -2264,10 +2410,6 @@ The index for the vector is out of bounds. :dd A variable used by fix ave/time must generate a global value. :dd -{Fix aveforce region ID does not exist} :dt - -Self-explanatory. :dd - {Fix bond/break requires special_bonds = 0,1,1} :dt This is a restriction of the current fix bond/break implementation. :dd @@ -2293,6 +2435,11 @@ Self-explanatory. :dd Self-explanatory. :dd +{Fix box/relax generated negative box length} :dt + +The pressure being applied is likely too large. Try applying +it incrementally, to build to the high pressure. :dd + {Fix command before simulation box is defined} :dt The fix command cannot be used before a read_data, read_restart, or @@ -2313,10 +2460,6 @@ is a triclinic (non-orthogonal) box. :dd Cannot use volume style unless other dimensions are being controlled. :dd -{Fix deposit region ID does not exist} :dt - -Self-explanatory :dd - {Fix deposit region cannot be dynamic} :dt Only static regions can be used with fix deposit. :dd @@ -2326,15 +2469,24 @@ Only static regions can be used with fix deposit. :dd Not all regions represent bounded volumes. You cannot use such a region with the fix deposit command. :dd -{Fix evaporate region ID does not exist} :dt +{Fix evaporate molecule requires atom attribute molecule} :dt -Self-explanatory :dd +The atom style being used does not define a molecule ID. :dd + +{Fix external callback function not set} :dt + +This must be done by an external program in order to use this fix. :dd {Fix for fix ave/atom not computed at compatible time} :dt Fixes generate their values on specific timesteps. Fix ave/atom is requesting a value on a non-allowed timestep. :dd +{Fix for fix ave/correlate not computed at compatible time} :dt + +Fixes generate their values on specific timesteps. Fix ave/correlate +is requesting a value on a non-allowed timestep. :dd + {Fix for fix ave/histo not computed at compatible time} :dt Fixes generate their values on specific timesteps. Fix ave/histo is @@ -2350,6 +2502,11 @@ requesting a value on a non-allowed timestep. :dd Fixes generate their values on specific timesteps. Fix ave/time is requesting a value on a non-allowed timestep. :dd +{Fix for fix store/state not computed at compatible time} :dt + +Fixes generate their values on specific timesteps. Fix store/state +is requesting a value on a non-allowed timestep. :dd + {Fix freeze requires atom attribute torque} :dt The atom style defined does not have this attribute. :dd @@ -2396,29 +2553,31 @@ Self-explanatory. :dd Self-explanatory. :dd -{Fix nph periods must be > 0.0} :dt +{Fix msst compute ID does not compute potential energy} :dt -The time window for pressure relaxation must be > 0 :dd +Self-explanatory. :dd -{Fix npt periods must be > 0.0} :dt +{Fix msst compute ID does not compute pressure} :dt -The time window for temperature or pressure relaxation must be > 0 :dd +Self-explanatory. :dd -{Fix npt/asphere cannot be used with atom attributes diameter or rmass} :dt +{Fix msst compute ID does not compute temperature} :dt -An atom style that defines these attributes must be used. :dd +Self-explanatory. :dd -{Fix npt/asphere requires atom attributes quat, angmom, torque, shape} :dt +{Fix msst requires a periodic box} :dt -An atom style that specifies these quantities is needed. :dd +Self-explanatory. :dd -{Fix npt/sphere requires atom attribute radius or shape} :dt +{Fix msst tscale must satisfy 0 <= tscale < 1} :dt -An atom style that defines these attributes must be used. :dd +Self-explanatory. :dd -{Fix npt/sphere requires atom attributes omega, torque} :dt +{Fix npt/nph has tilted box too far - box flips are not yet implemented} :dt -An atom style that specifies these quantities is needed. :dd +This feature has not yet been added. However, if you are applying +an off-diagonal pressure to a fluid, the box may want to tilt indefinitely, +because the fluid cannot support the pressure you are imposing. :dd {Fix nve/asphere cannot be used with atom attributes diameter or rmass} :dt @@ -2433,14 +2592,14 @@ An atom style that specifies these quantities is needed. :dd This fix can only be used for particles with a shape setting. :dd +{Fix nve/sphere requires atom attribute diameter or shape} :dt + +An atom style that specifies these quantities is needed. :dd + {Fix nve/sphere requires atom attribute mu} :dt An atom style with this attribute is needed. :dd -{Fix nve/sphere requires atom attribute radius or shape} :dt - -An atom style that specifies these quantities is needed. :dd - {Fix nve/sphere requires atom attributes omega, torque} :dt An atom style with these attributes is needed. :dd @@ -2453,30 +2612,30 @@ This fix can only be used for particles of a finite size. :dd Self-explanatory. :dd -{Fix nvt period must be > 0.0} :dt +{Fix nvt/nph/npt asphere cannot be used with atom attributes diameter or rmass} :dt -The time window for temperature relaxation must be > 0 :dd +Those attributes are for spherical particles. :dd -{Fix nvt/asphere cannot be used with atom attributes diameter or rmass} :dt +{Fix nvt/nph/npt asphere requires atom attributes quat, angmom, torque, shape} :dt -These attributes override the shape and mass settings, so cannot be -used. :dd +Those attributes are what are used to define aspherical particles. :dd -{Fix nvt/asphere requires atom attributes quat, angmom, torque, shape} :dt +{Fix nvt/nph/npt asphere requires extended particles} :dt + +The shape setting for a particle in the fix group has shape = 0.0, +which means it is a point particle. :dd + +{Fix nvt/nph/npt sphere requires atom attribute diameter or shape} :dt An atom style that specifies these quantities is needed. :dd -{Fix nvt/asphere requires extended particles} :dt +{Fix nvt/nph/npt sphere requires atom attributes omega, torque} :dt -This fix can only be used for particles of a finite size. :dd +Those attributes are what are used to define spherical particles. :dd -{Fix nvt/sphere requires atom attribute radius or shape} :dt +{Fix nvt/npt/nph damping parameters must be > 0.0} :dt -An atom style with these attributes is needed. :dd - -{Fix nvt/sphere requires atom attributes omega, torque} :dt - -An atom style with these attributes is needed. :dd +Self-explanatory. :dd {Fix nvt/sphere requires extended particles} :dt @@ -2501,6 +2660,10 @@ 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"_http://lammps.sandia.gov/authors.html. :dd +{Fix peri neigh does not exist} :dt + +Somehow a fix that the pair style defines has been deleted. :dd + {Fix pour region ID does not exist} :dt Self-explanatory. :dd @@ -2518,10 +2681,18 @@ such a region with the fix pour command. :dd The atom style defined does not have these attributes. :dd -{Fix press/berendsen period must be > 0.0} :dt +{Fix press/berendsen damping parameters must be > 0.0} :dt Self-explanatory. :dd +{Fix qeq/comb group has no atoms} :dt + +Self-explanatory. :dd + +{Fix qeq/comb requires atom attribute q} :dt + +An atom style with charge must be used to perform charge equilibration. :dd + {Fix reax/bonds numbonds > nsbmax_most} :dt The limit of the number of bonds expected by the ReaxFF force field @@ -2531,6 +2702,10 @@ was exceeded. :dd Self-explanatory. :dd +{Fix rigid/nvt period must be > 0.0} :dt + +Self-explanatory :dd + {Fix rigid: Bad principal moments} :dt The principal moments of inertia computed for a rigid body @@ -2545,6 +2720,48 @@ it turns off bonds that should contribute to the energy. :dd Self-explanatory. :dd +{Fix store/state compute array is accessed out-of-range} :dt + +Self-explanatory. :dd + +{Fix store/state compute does not calculate a per-atom array} :dt + +The compute calculates a per-atom vector. :dd + +{Fix store/state compute does not calculate a per-atom vector} :dt + +The compute calculates a per-atom vector. :dd + +{Fix store/state compute does not calculate per-atom values} :dt + +Computes that calculate global or local quantities cannot be used +with fix store/state. :dd + +{Fix store/state fix array is accessed out-of-range} :dt + +Self-explanatory. :dd + +{Fix store/state fix does not calculate a per-atom array} :dt + +The fix calculates a per-atom vector. :dd + +{Fix store/state fix does not calculate a per-atom vector} :dt + +The fix calculates a per-atom array. :dd + +{Fix store/state fix does not calculate per-atom values} :dt + +Fixes that calculate global or local quantities cannot be used with +fix store/state. :dd + +{Fix store/state for atom property that isn't allocated} :dt + +Self-explanatory. :dd + +{Fix store/state variable is not atom-style variable} :dt + +Only atom-style variables calculate per-atom quantities. :dd + {Fix temp/berendsen period must be > 0.0} :dt Self-explanatory. :dd @@ -2653,7 +2870,7 @@ Self-explanatory. :dd Self-explanatory. :dd -{Fix wall/region region ID does not exist} :dt +{Fix_modify order must be 3 or 5} :dt Self-explanatory. :dd @@ -2669,6 +2886,10 @@ The compute ID assigned to the fix must compute temperature. :dd When using a "*" in the restart file name, no matching file was found. :dd +{Gravity changed since fix pour was created} :dt + +Gravity must be static and not dynamic for use with fix pour. :dd + {Gravity must point in -y to use with fix pour in 2d} :dt Gravity must be pointing "down" in a 2d box. :dd @@ -2700,6 +2921,11 @@ 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. :dd +{Illegal COMB parameter} :dt + +One or more of the coefficients defined in the potential file is +invalid. :dd + {Illegal Stillinger-Weber parameter} :dt One or more of the coefficients defined in the potential file is @@ -2714,6 +2940,18 @@ invalid. :dd The name is too long to be a chemical element. :dd +{Illegal number of angle table entries} :dt + +There must be at least 2 table entries. :dd + +{Illegal number of bond table entries} :dt + +There must be at least 2 table entries. :dd + +{Illegal number of pair table entries} :dt + +There must be at least 2 table entries. :dd + {Illegal simulation box} :dt The lower bound of the simulation box is greater than the upper bound. :dd @@ -2836,6 +3074,10 @@ Must have periodic x,y dimensions and non-periodic z dimension to use The element names in the EAM file do not match those requested. :dd +{Incorrect format in COMB potential file} :dt + +Incorrect number of words per line in the potential file. :dd + {Incorrect format in MEAM potential file} :dt Incorrect number of words per line in the potential file. :dd @@ -2869,9 +3111,9 @@ of the data file. The read-in lines do not match. :dd Self-explanatory. Check the input script or data file. :dd -{Index between input command brackets must be positive} :dt +{Index between variable brackets must be positive} :dt -Self-explantory. :dd +Self-explanatory. :dd {Indexed per-atom vector in variable formula without atom map} :dt @@ -3197,32 +3439,34 @@ Self-explantory. :dd Fix box/relax styles involving the z dimension cannot be used in a 2d simulation. :dd -{Invalid fix nph command for a 2d simulation} :dt +{Invalid fix box/relax command pressure settings} :dt -Cannot use style xy, yz, or xz for a 2d simulation. :dd +If multiple dimensions are coupled, those dimensions must be specified. :dd -{Invalid fix nph command pressure settings} :dt +{Invalid fix box/relax pressure settings} :dt -Pressure settings for different components must be the same if -the components are coupled. :dd +Settings for coupled dimensions must be the same. :dd -{Invalid fix npt command for a 2d simulation} :dt +{Invalid fix nvt/npt/nph command for a 2d simulation} :dt -Cannot use style xy, yz, or xz for a 2d simulation. :dd +Cannot control z dimension in a 2d model. :dd -{Invalid fix npt command pressure settings} :dt +{Invalid fix nvt/npt/nph command pressure settings} :dt -Pressure settings for different components must be the same if -the components are coupled. :dd +If multiple dimensions are coupled, those dimensions must be +specified. :dd -{Invalid fix press/berendsen command for a 2d simulation} :dt +{Invalid fix nvt/npt/nph pressure settings} :dt -Can only use xyz or aniso styles in 2d. :dd +Settings for coupled dimensions must be the same. :dd -{Invalid fix press/berendsen command pressure settings} :dt +{Invalid fix press/berendsen for a 2d simulation} :dt -Pressure settings for different components must be the same if -the components are coupled. :dd +The z component of pressure cannot be controlled for a 2d model. :dd + +{Invalid fix press/berendsen pressure settings} :dt + +Settings for coupled dimensions must be the same. :dd {Invalid fix style} :dt @@ -3329,9 +3573,13 @@ Self-explanatory. :dd Self-explanatory. :dd -{Invalid math or group function in variable formula} :dt +{Invalid math function in variable formula} :dt -The math or group function is not recognized. :dd +Self-explanatory. :dd + +{Invalid math/group/special function in variable formula} :dt + +Self-explanatory. :dd {Invalid natoms for dump dcd} :dt @@ -3420,6 +3668,10 @@ Self-explanatory. :dd Self-explanatory. :dd +{Invalid special function in variable formula} :dt + +Self-explanatory. :dd + {Invalid style in pair_write command} :dt Self-explanatory. Check the input script. :dd @@ -3552,7 +3804,7 @@ Each x,y,z spacing must be > 0. :dd 2d simulation can use sq, sq2, or hex lattice. 3d simulation can use sc, bcc, or fcc lattice. :dd -{Log of zero/negative in variable formula} :dt +{Log of zero/negative value in variable formula} :dt Self-explanatory. :dd @@ -3592,7 +3844,7 @@ explicitly deleted by a uncompute command. :dd The minimize command cannot be used before a read_data, read_restart, or create_box command. :dd -{Mismatched brackets in input command} :dt +{Mismatched brackets in variable} :dt Self-explanatory. :dd @@ -3792,16 +4044,20 @@ 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. :dd -{Must use fix gravity with fix pour} :dt - -Insertion of granular particles must be done under the influence of -gravity. :dd - {Must use molecular atom style with neigh_modify exclude molecule} :dt The atom style must define a molecule ID to use the exclude option. :dd +{Must use pair_style comb with fix qeq/comb} :dt + +Self-explanatory. :dd + +{Must use variable energy with fix addforce} :dt + +Must define an energy vartiable when applyting a dynamic +force during minimization. :dd + {Needed topology not in data file} :dt The header of the data file indicated that bonds or angles or @@ -3892,6 +4148,10 @@ output to dump file. :dd Self-explanatory. :dd +{No fix gravity defined for fix pour} :dt + +Cannot add poured particles without gravity to move them. :dd + {No improper style is defined for compute improper/local} :dt Self-explanatory. :dd @@ -3905,6 +4165,10 @@ Self-explanatory. Check data file. :dd The EAM potential file does not contain elements that match the requested elements. :dd +{No pair style defined for compute group/group} :dt + +Cannot calculate group interactions without a pair style defined. :dd + {No pair style is defined for compute pair/local} :dt Self-explanatory. :dd @@ -3917,9 +4181,9 @@ Self-explanatory. :dd The fix specification did not end up defining any rigid bodies. :dd -{Non digit character between brackets in input command} :dt +{Non digit character between brackets in variable} :dt -Self-explanatory. :dd +Self-explantory. :dd {Non integer # of swaps in temper command} :dt @@ -3936,6 +4200,10 @@ contain the same atom. :dd Any rigid body defined by the fix rigid command must contain 2 or more atoms. :dd +{Out of memory on GPGPU} :dt + +You are attempting to run with too many atoms on the GPU. :dd + {Out of range atoms - cannot compute PPPM} :dt One or more atoms are attempting to map their charge to a PPPM grid @@ -3952,6 +4220,14 @@ outside a processor's sub-domain or even the entire simulation box. This indicates bad physics, e.g. due to highly overlapping atoms, too large a timestep, etc. :dd +{Overlapping large/large in pair colloid} :dt + +This potential is infinite when there is an overlap. :dd + +{Overlapping small/large in pair colloid} :dt + +This potential is inifinte when there is an overlap. :dd + {POEMS fix must come before NPT/NPH fix} :dt NPT/NPH fix must be defined in input script after all poems fixes, @@ -4038,6 +4314,11 @@ Use the communicate vel yes command to enable this. :dd This is a current restriction of the implementation of pair granular styles with history. :dd +{Pair hybrid sub-style does not support single call} :dt + +You are attempting to invoke a single() call on a pair style +that doesn't support it. :dd + {Pair hybrid sub-style is not used} :dt No pair_coeff command used a sub-style specified in the pair_style @@ -4091,6 +4372,14 @@ Use the lattice command for this purpose. :dd Even for atomic systems, an atom map is required to find Peridynamic bonds. Use the atom_modify command to define one. :dd +{Pair reax NATDEF setting too small, edit lib/reax/reax_defs.h} :dt + +Edit the Fortran header file in the library, and re-compile LAMMPS. :dd + +{Pair reax NNEIGHMAXDEF setting too small, edit lib/reax/reax_defs.h} :dt + +Edit the Fortran header file in the library, and re-compile LAMMPS. :dd + {Pair resquared cannot be used with atom attribute diameter} :dt This attribute overrides the shape settings, so cannot be used. :dd @@ -4113,8 +4402,22 @@ This is a requirement to use the AIREBO potential. :dd {Pair style AIREBO requires newton pair on} :dt +See the newton command. This is a restriction to use the AIREBO +potential. :dd + +{Pair style COMB requires atom IDs} :dt + +This is a requirement to use the AIREBO potential. :dd + +{Pair style COMB requires atom attribute q} :dt + Self-explanatory. :dd +{Pair style COMB requires newton pair on} :dt + +See the newton command. This is a restriction to use the COMB +potential. :dd + {Pair style MEAM requires newton pair on} :dt See the newton command. This is a restriction to use the MEAM @@ -4164,11 +4467,6 @@ not be invoked by bond_style quartic. :dd The pair_style does not have a single() function, so it cannot be invokded by the compute group/group command. :dd -{Pair style does not support compute heat/flux} :dt - -The pair style does not have a single() function, so it can -not be invoked by compute heat/flux. :dd - {Pair style does not support compute pair/local} :dt The pair style does not have a single() function, so it can @@ -4259,6 +4557,11 @@ molecule adds forces to atoms owned by other processors. :dd An atom_style with this attribute is needed. :dd +{Pair style peri_lps requires atom style peri} :dt + +This is because atom style peri stores quantities needed by +the peridynamic potential. :dd + {Pair style peri_pmb requires atom style peri} :dt This is because atom style peri stores quantities needed by @@ -4343,10 +4646,6 @@ Equal-style variables cannot use per-atom quantities. :dd Self-explanatory. :dd -{Per-atom virial not available with GPU lj/cut} :dt - -Self-explanatory. :dd - {Per-atom virial was not tallied on needed timestep} :dt You are using a thermo keyword that requires potentials to have @@ -4376,15 +4675,9 @@ exist. :dd Self-explanatory. :dd -{Pressure ID for fix nph does not exist} :dt +{Pressure ID for fix npt/nph does not exist} :dt -The compute ID needed to compute pressure for the fix does not -exist. :dd - -{Pressure ID for fix npt does not exist} :dt - -The compute ID needed to compute pressure for the fix does not -exist. :dd +Self-explanatory. :dd {Pressure ID for fix press/berendsen does not exist} :dt @@ -4396,10 +4689,49 @@ exist. :dd The compute ID needed to compute pressure for thermodynamics does not exist. :dd -{Proc grid in z != 1 for 2d simulation} :dt +{Pressure control can not be used with fix nvt/asphere} :dt -There cannot be more than 1 processor in the z dimension of a 2d -simulation. :dd +Self-explanatory. :dd + +{Pressure control can not be used with fix nvt/sllod} :dt + +Self-explanatory. :dd + +{Pressure control can not be used with fix nvt/sphere} :dt + +Self-explanatory. :dd + +{Pressure control can not be used with fix nvt} :dt + +Self-explanatory. :dd + +{Pressure control must be used with fix nph/asphere} :dt + +Self-explanatory. :dd + +{Pressure control must be used with fix nph/sphere} :dt + +Self-explanatory. :dd + +{Pressure control must be used with fix nph} :dt + +Self-explanatory. :dd + +{Pressure control must be used with fix npt/asphere} :dt + +Self-explanatory. :dd + +{Pressure control must be used with fix npt/sphere} :dt + +Self-explanatory. :dd + +{Pressure control must be used with fix npt} :dt + +Self-explanatory. :dd + +{Processor count in z must be 1 for 2d simulation} :dt + +Self-explanatory. :dd {Processor partitions are inconsistent} :dt @@ -4420,6 +4752,54 @@ rigid command. :dd Equilibrium spring length is invalid. :dd +{Region ID for compute reduce/region does not exist} :dt + +Self-explanatory. :dd + +{Region ID for compute temp reduce/region does not exist} :dt + +Self-explanatory. :dd + +{Region ID for compute temp/region does not exist} :dt + +Self-explanatory. :dd + +{Region ID for dump cfg does not exist} :dt + +Self-explanatory. :dd + +{Region ID for dump custom does not exist} :dt + +Self-explanatory. :dd + +{Region ID for fix addforce does not exist} :dt + +Self-explanatory. :dd + +{Region ID for fix aveforce does not exist} :dt + +Self-explanatory. :dd + +{Region ID for fix deposit does not exist} :dt + +Self-explanatory. :dd + +{Region ID for fix evaporate does not exist} :dt + +Self-explanatory. :dd + +{Region ID for fix heat does not exist} :dt + +Self-explanatory. :dd + +{Region ID for fix setforce does not exist} :dt + +Self-explanatory. :dd + +{Region ID for fix wall/region does not exist} :dt + +Self-explanatory. :dd + {Region cannot have 0 length rotation vector} :dt Self-explanatory. :dd @@ -4574,7 +4954,7 @@ SHAKE fix contribution to the pressure virial is incorrect. :dd Self-explanatory. :dd -{Sqrt of negative in variable formula} :dt +{Sqrt of negative value in variable formula} :dt Self-explanatory. :dd @@ -4598,11 +4978,11 @@ within a water molecule. :dd The target file for the fix tmd command did not list all atoms in the fix group. :dd -{Target T for fix npt cannot be 0.0} :dt +{Target temperature for fix nvt/npt/nph cannot be 0.0} :dt Self-explanatory. :dd -{Target T for fix nvt cannot be 0.0} :dt +{Target temperature for fix rigid/nvt cannot be 0.0} :dt Self-explanatory. :dd @@ -4619,15 +4999,7 @@ Self-explanatory. :dd Self-explanatory. :dd -{Temperature ID for fix nph does not exist} :dt - -Self-explanatory. :dd - -{Temperature ID for fix npt does not exist} :dt - -Self-explanatory. :dd - -{Temperature ID for fix nvt does not exist} :dt +{Temperature ID for fix nvt/nph/npt does not exist} :dt Self-explanatory. :dd @@ -4643,14 +5015,50 @@ Self-explanatory. :dd Self-explanatory. :dd +{Temperature control can not be used with fix nph/asphere} :dt + +Self-explanatory. :dd + +{Temperature control can not be used with fix nph/sphere} :dt + +Self-explanatory. :dd + +{Temperature control can not be used with fix nph} :dt + +Self-explanatory. :dd + +{Temperature control must be used with fix npt/asphere} :dt + +Self-explanatory. :dd + +{Temperature control must be used with fix npt/sphere} :dt + +Self-explanatory. :dd + +{Temperature control must be used with fix npt} :dt + +Self-explanatory. :dd + +{Temperature control must be used with fix nvt/asphere} :dt + +Self-explanatory. :dd + +{Temperature control must be used with fix nvt/sllod} :dt + +Self-explanatory. :dd + +{Temperature control must be used with fix nvt/sphere} :dt + +Self-explanatory. :dd + +{Temperature control must be used with fix nvt} :dt + +Self-explanatory. :dd + {Temperature for fix nvt/sllod does not have a bias} :dt The specified compute must compute temperature with a bias. :dd -{Temperature region ID does not exist} :dt - -The region ID specified in the temperature command does not exist. :dd - {Tempering could not find thermo_pe compute} :dt This compute is created by the thermo command. It must have been @@ -4699,6 +5107,10 @@ Self-explanatory. :dd Only equal-style variables can be output with thermodynamics, not atom-style variables. :dd +{Thermo every variable returned a bad timestep} :dt + +The variable must return a timestep greater than the current timestep. :dd + {Thermo fix array is accessed out-of-range} :dt Self-explanatory. :dd @@ -4719,6 +5131,10 @@ Self-explanatory. :dd Self-explanatory. :dd +{Thermo keyword in variable requires lattice be defined} :dt + +The xlat, ylat, zlat keywords refer to lattice properties. :dd + {Thermo keyword in variable requires thermo to use/init pe} :dt You are using a thermo keyword in a variable that requires @@ -4737,6 +5153,10 @@ You are using a thermo keyword in a variable that requires temperature to be calculated, but your thermo output does not use it. Add it to your thermo output. :dd +{Thermo keyword requires lattice be defined} :dt + +The xlat, ylat, zlat keywords refer to lattice properties. :dd + {Thermo style does not use press} :dt Cannot use thermo_modify to set this parameter since the thermo_style @@ -4760,6 +5180,11 @@ The specified compute ID does not compute temperature. :dd The thermo_style command cannot be used before a read_data, read_restart, or create_box command. :dd +{This variable thermo keyword cannot be used between runs} :dt + +Keywords that refer to time (such as cpu, elapsed) do not +make sense in between runs. :dd + {Threshhold for an atom property that isn't allocated} :dt A dump threshhold has been requested on a quantity that is @@ -4821,10 +5246,6 @@ 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. :dd -{Total # of atoms exceeds maximum allowed per GPGPU} :dt - -See the doc page for a description of this memory limit. :dd - {Tree structure in joint connections} :dt Fix poems cannot (yet) work with coupled bodies whose joints connect @@ -4952,6 +5373,11 @@ set to lattice. :dd Must use lattice command with fix wall command if units option is set to lattice. :dd +{Use of fix wall/reflect with undefined lattice} :dt + +If scale = lattice (the default) for the fix wall/reflect command, +then a lattice must first be defined via the lattice command. :dd + {Use of region with undefined lattice} :dt If scale = lattice (the default) for the region command, then a @@ -4976,14 +5402,58 @@ Self-explanatory. :dd Cannot evaluate a compute or fix or atom-based value in a variable before the simulation has been setup. :dd +{Variable for dump every is invalid style} :dt + +Only equal-style variables can be used. :dd + +{Variable for fix adapt is invalid style} :dt + +Only equal-style variables can be used. :dd + +{Variable for fix aveforce is invalid style} :dt + +Only equal-style variables can be used. :dd + +{Variable for fix efield is invalid style} :dt + +Only equal-style variables can be used. :dd + +{Variable for fix indent is invalid style} :dt + +Only equal-style variables can be used. :dd + +{Variable for fix indent is not equal style} :dt + +Only equal-style variables can be used. :dd + {Variable for fix move is invalid style} :dt +Only equal-style variables can be used. :dd + +{Variable for fix setforce is invalid style} :dt + +Only equal-style variables can be used. :dd + +{Variable for fix wall/reflect is invalid style} :dt + +Only equal-style variables can be used. :dd + +{Variable for thermo every is invalid style} :dt + +Only equal-style variables can be used. :dd + +{Variable formula compute array is accessed out-of-range} :dt + Self-explanatory. :dd {Variable formula compute vector is accessed out-of-range} :dt Self-explanatory. :dd +{Variable formula fix array is accessed out-of-range} :dt + +Self-explanatory. :dd + {Variable formula fix vector is accessed out-of-range} :dt Self-explanatory. :dd @@ -4992,10 +5462,26 @@ Self-explanatory. :dd Self-explanatory. :dd +{Variable name for dump every does not exist} :dt + +Self-explanatory. :dd + +{Variable name for fix adapt does not exist} :dt + +Self-explanatory. :dd + +{Variable name for fix addforce does not exist} :dt + +Self-explanatory. :dd + {Variable name for fix ave/atom does not exist} :dt Self-explanatory. :dd +{Variable name for fix ave/correlate does not exist} :dt + +Self-explanatory. :dd + {Variable name for fix ave/histo does not exist} :dt Self-explanatory. :dd @@ -5008,10 +5494,38 @@ Self-explanatory. :dd Self-explanatory. :dd +{Variable name for fix aveforce does not exist} :dt + +Self-explanatory. :dd + +{Variable name for fix efield does not exist} :dt + +Self-explanatory. :dd + +{Variable name for fix indent does not exist} :dt + +Self-explanatory. :dd + {Variable name for fix move does not exist} :dt Self-explanatory. :dd +{Variable name for fix setforce does not exist} :dt + +Self-explanatory. :dd + +{Variable name for fix store/state does not exist} :dt + +Self-explanatory. :dd + +{Variable name for fix wall/relect does not exist} :dt + +Self-explanatory. :dd + +{Variable name for thermo every does not exist} :dt + +Self-explanatory. :dd + {Variable name must be alphanumeric or underscore characters} :dt Self-explanatory. :dd @@ -5247,6 +5761,14 @@ what you want. :dd This is computationally inefficient. :dd +{Pair COMB charge %.10f with force %.10f hit max barrier} :dt + +Something is possibly wrong with your model. :dd + +{Pair COMB charge %.10f with force %.10f hit min barrier} :dt + +Something is possibly wrong with your model. :dd + {Pair dsmc: num_of_collisions > number_of_A} :dt Collision model in DSMC is breaking down. :dd @@ -5345,12 +5867,12 @@ is not valid for Ewald or PPPM. :dd You specified an inner cutoff for a Coulombic table that is longer than the global cutoff. Probably not what you wanted. :dd -{Temperature for NPH is not for group all} :dt +{Temperature for MSST is not for group all} :dt -User-assigned temperature to NPH fix does not compute temperature for -all atoms. Since NPH computes a global pressure, the kinetic energy +User-assigned temperature to MSST fix does not compute temperature for +all atoms. Since MSST computes a global pressure, the kinetic energy contribution from the temperature is assumed to also be for all atoms. -Thus the pressure used by NPH could be inaccurate. :dd +Thus the pressure used by MSST could be inaccurate. :dd {Temperature for NPT is not for group all} :dt