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remove entries that are now covered by Errors_details.rst

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Axel Kohlmeyer
2025-03-17 12:20:30 -04:00
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doc/src/Errors_messages.rst
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@ -74,18 +74,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
a particular processor. The pairwise cutoff is too short or the atoms a particular processor. The pairwise cutoff is too short or the atoms
are too far apart to make a valid angle. are too far apart to make a valid angle.
*Angle atoms %d %d %d missing on proc %d at step %ld*
One or more of three atoms needed to compute a particular angle are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the angle has blown apart and an atom is
too far away.
*Angle atoms missing on proc %d at step %ld*
One or more of three atoms needed to compute a particular angle are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the angle has blown apart and an atom is
too far away.
*Angle coeff for hybrid has invalid style* *Angle coeff for hybrid has invalid style*
Angle style hybrid uses another angle style as one of its Angle style hybrid uses another angle style as one of its
coefficients. The angle style used in the angle_coeff command or read coefficients. The angle style used in the angle_coeff command or read
@ -305,26 +293,11 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
bond on a particular processor. The pairwise cutoff is too short or bond on a particular processor. The pairwise cutoff is too short or
the atoms are too far apart to make a valid bond. the atoms are too far apart to make a valid bond.
*Bond atom missing in image check*
The second atom in a particular bond is missing on this processor.
Typically this is because the pairwise cutoff is set too short or the
bond has blown apart and an atom is too far away.
*Bond atom missing in set command* *Bond atom missing in set command*
The set command cannot find one or more atoms in a particular bond on The set command cannot find one or more atoms in a particular bond on
a particular processor. The pairwise cutoff is too short or the atoms a particular processor. The pairwise cutoff is too short or the atoms
are too far apart to make a valid bond. are too far apart to make a valid bond.
*Bond atoms %d %d missing on proc %d at step %ld*
The second atom needed to compute a particular bond is missing on this
processor. Typically this is because the pairwise cutoff is set too
short or the bond has blown apart and an atom is too far away.
*Bond atoms missing on proc %d at step %ld*
The second atom needed to compute a particular bond is missing on this
processor. Typically this is because the pairwise cutoff is set too
short or the bond has blown apart and an atom is too far away.
*Bond coeff for hybrid has invalid style* *Bond coeff for hybrid has invalid style*
Bond style hybrid uses another bond style as one of its coefficients. Bond style hybrid uses another bond style as one of its coefficients.
The bond style used in the bond_coeff command or read from a restart The bond style used in the bond_coeff command or read from a restart
@ -1070,11 +1043,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
This is a current limitation of the GPU implementation This is a current limitation of the GPU implementation
in LAMMPS. in LAMMPS.
*Cannot use neighbor bins - box size << cutoff*
Too many neighbor bins will be created. This typically happens when
the simulation box is very small in some dimension, compared to the
neighbor cutoff. Use the "nsq" style instead of "bin" style.
*Cannot use non-zero forces in an energy minimization* *Cannot use non-zero forces in an energy minimization*
Fix setforce cannot be used in this manner. Use fix addforce Fix setforce cannot be used in this manner. Use fix addforce
instead. instead.
@ -1217,12 +1185,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Compute chunk/atom bin/sphere radius is too large for periodic box* *Compute chunk/atom bin/sphere radius is too large for periodic box*
Radius cannot be bigger than 1/2 of any periodic dimension. Radius cannot be bigger than 1/2 of any periodic dimension.
*Compute chunk/atom compute array is accessed out-of-range*
The index for the array is out of bounds.
*Compute chunk/atom fix array is accessed out-of-range*
The index for the array is out of bounds.
*Compute chunk/atom ids once but nchunk is not once* *Compute chunk/atom ids once but nchunk is not once*
You cannot assign chunks IDs to atom permanently if the number of You cannot assign chunks IDs to atom permanently if the number of
chunks may change. chunks may change.
@ -1333,30 +1295,12 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
Only inputs that generate the same number of datums can be used Only inputs that generate the same number of datums can be used
together. E.g. bond and angle quantities cannot be mixed. together. E.g. bond and angle quantities cannot be mixed.
*Compute reduce compute array is accessed out-of-range*
An index for the array is out of bounds.
*Compute reduce compute calculates global values* *Compute reduce compute calculates global values*
A compute that calculates peratom or local values is required. A compute that calculates peratom or local values is required.
*Compute reduce fix array is accessed out-of-range*
An index for the array is out of bounds.
*Compute reduce fix calculates global values* *Compute reduce fix calculates global values*
A fix that calculates peratom or local values is required. A fix that calculates peratom or local values is required.
*Compute slice compute array is accessed out-of-range*
An index for the array is out of bounds.
*Compute slice compute vector is accessed out-of-range*
The index for the vector is out of bounds.
*Compute slice fix array is accessed out-of-range*
An index for the array is out of bounds.
*Compute slice fix vector is accessed out-of-range*
The index for the vector is out of bounds.
*Compute stress/atom temperature ID does not compute temperature* *Compute stress/atom temperature ID does not compute temperature*
The specified compute must compute temperature. The specified compute must compute temperature.
@ -1654,11 +1598,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Delete_bonds command with no atoms existing* *Delete_bonds command with no atoms existing*
No atoms are yet defined so the delete_bonds command cannot be used. No atoms are yet defined so the delete_bonds command cannot be used.
*Did not assign all atoms correctly*
Atoms read in from a data file were not assigned correctly to
processors. This is likely due to some atom coordinates being
outside a non-periodic simulation box.
*Did not assign all restart atoms correctly* *Did not assign all restart atoms correctly*
Atoms read in from the restart file were not assigned correctly to Atoms read in from the restart file were not assigned correctly to
processors. This is likely due to some atom coordinates being outside processors. This is likely due to some atom coordinates being outside
@ -1697,18 +1636,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
on a particular processor. The pairwise cutoff is too short or the on a particular processor. The pairwise cutoff is too short or the
atoms are too far apart to make a valid dihedral. atoms are too far apart to make a valid dihedral.
*Dihedral atoms %d %d %d %d missing on proc %d at step %ld*
One or more of 4 atoms needed to compute a particular dihedral are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the dihedral has blown apart and an atom is
too far away.
*Dihedral atoms missing on proc %d at step %ld*
One or more of 4 atoms needed to compute a particular dihedral are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the dihedral has blown apart and an atom is
too far away.
*Dihedral charmm is incompatible with Pair style* *Dihedral charmm is incompatible with Pair style*
Dihedral style charmm must be used with a pair style charmm Dihedral style charmm must be used with a pair style charmm
in order for the 1-4 epsilon/sigma parameters to be defined. in order for the 1-4 epsilon/sigma parameters to be defined.
@ -1769,11 +1696,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
This should not normally occur. It is likely a problem with your This should not normally occur. It is likely a problem with your
model. model.
*Domain too large for neighbor bins*
The domain has become extremely large so that neighbor bins cannot be
used. Most likely, one or more atoms have been blown out of the
simulation box to a great distance.
*Dump atom/gz only writes compressed files* *Dump atom/gz only writes compressed files*
The dump atom/gz output file name must have a .gz suffix. The dump atom/gz output file name must have a .gz suffix.
@ -1855,11 +1777,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
There is no variable syntax that uses empty brackets. Check There is no variable syntax that uses empty brackets. Check
the variable doc page. the variable doc page.
*Energy was not tallied on needed timestep*
You are using a thermo keyword that requires potentials to
have tallied energy, but they did not on this timestep. See the
variable page for ideas on how to make this work.
*Epsilon or sigma reference not set by pair style in ewald/n* *Epsilon or sigma reference not set by pair style in ewald/n*
The pair style is not providing the needed epsilon or sigma values. The pair style is not providing the needed epsilon or sigma values.
@ -1955,12 +1872,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Fix ave/chunk does not use chunk/atom compute* *Fix ave/chunk does not use chunk/atom compute*
The specified compute is not for a compute chunk/atom command. The specified compute is not for a compute chunk/atom command.
*Fix ave/correlate compute vector is accessed out-of-range*
The index for the vector is out of bounds.
*Fix ave/correlate fix vector is accessed out-of-range*
The index for the vector is out of bounds.
*Fix ave/histo inputs are not all global, peratom, or local* *Fix ave/histo inputs are not all global, peratom, or local*
All inputs in a single fix ave/histo command must be of the All inputs in a single fix ave/histo command must be of the
same style. same style.
@ -1973,18 +1884,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Fix ave/time cannot use variable with vector mode* *Fix ave/time cannot use variable with vector mode*
Variables produce scalar values. Variables produce scalar values.
*Fix ave/time compute array is accessed out-of-range*
An index for the array is out of bounds.
*Fix ave/time compute vector is accessed out-of-range*
The index for the vector is out of bounds.
*Fix ave/time fix array is accessed out-of-range*
An index for the array is out of bounds.
*Fix ave/time fix vector is accessed out-of-range*
The index for the vector is out of bounds.
*Fix balance rcb cannot be used with comm_style brick* *Fix balance rcb cannot be used with comm_style brick*
Comm_style tiled must be used instead. Comm_style tiled must be used instead.
@ -2560,18 +2459,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
on a particular processor. The pairwise cutoff is too short or the on a particular processor. The pairwise cutoff is too short or the
atoms are too far apart to make a valid improper. atoms are too far apart to make a valid improper.
*Improper atoms %d %d %d %d missing on proc %d at step %ld*
One or more of 4 atoms needed to compute a particular improper are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the improper has blown apart and an atom is
too far away.
*Improper atoms missing on proc %d at step %ld*
One or more of 4 atoms needed to compute a particular improper are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the improper has blown apart and an atom is
too far away.
*Improper coeff for hybrid has invalid style* *Improper coeff for hybrid has invalid style*
Improper style hybrid uses another improper style as one of its Improper style hybrid uses another improper style as one of its
coefficients. The improper style used in the improper_coeff command coefficients. The improper style used in the improper_coeff command
@ -2681,10 +2568,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Incorrect element names in EAM potential file* *Incorrect element names in EAM potential file*
The element names in the EAM file do not match those requested. The element names in the EAM file do not match those requested.
*Incorrect format of ... section in data file*
Number or type of values per line in the given section of the data file
is not consistent with the requirements for this section.
*Incorrect format in COMB potential file* *Incorrect format in COMB potential file*
Incorrect number of words per line in the potential file. Incorrect number of words per line in the potential file.
@ -3213,9 +3096,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
The template indices must be between 1 to N, where N is the number of The template indices must be between 1 to N, where N is the number of
molecules in the template. molecules in the template.
*Invalid thermo keyword in variable formula*
The keyword is not recognized.
*Invalid threads_per_atom specified.* *Invalid threads_per_atom specified.*
For 3-body potentials on the GPU, the threads_per_atom setting cannot be For 3-body potentials on the GPU, the threads_per_atom setting cannot be
greater than 4 for NVIDIA GPUs. greater than 4 for NVIDIA GPUs.
@ -3378,13 +3258,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Lost atoms via balance: original %ld current %ld* *Lost atoms via balance: original %ld current %ld*
This should not occur. Report the problem to the developers. This should not occur. Report the problem to the developers.
*Lost atoms: original %ld current %ld*
Lost atoms are checked for each time thermo output is done. See the
thermo_modify lost command for options. Lost atoms usually indicate
bad dynamics, e.g. atoms have been blown far out of the simulation
box, or moved further than one processor's subdomain away before
reneighboring.
*MEAM library error %d* *MEAM library error %d*
A call to the MEAM Fortran library returned an error. A call to the MEAM Fortran library returned an error.
@ -3445,9 +3318,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
The IDs must not be larger than can be stored in a 32-bit integer The IDs must not be larger than can be stored in a 32-bit integer
since chunk IDs are 32-bit integers. since chunk IDs are 32-bit integers.
*Molecule auto special bond generation overflow*
Counts exceed maxspecial setting for other atoms in system.
*Molecule file shake flags not before shake atoms* *Molecule file shake flags not before shake atoms*
The order of the two sections is important. The order of the two sections is important.
@ -3460,16 +3330,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Molecule file special list does not match special count* *Molecule file special list does not match special count*
The number of values in an atom's special list does not match count. The number of values in an atom's special list does not match count.
*Molecule topology/atom exceeds system topology/atom*
The number of bonds, angles, etc per-atom in the molecule exceeds the
system setting. See the create_box command for how to specify these
values.
*Molecule topology type exceeds system topology type*
The number of bond, angle, etc types in the molecule exceeds the
system setting. See the create_box command for how to specify these
values.
*More than one fix deform* *More than one fix deform*
Only one fix deform can be defined at a time. Only one fix deform can be defined at a time.
@ -3749,17 +3609,9 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
Swap frequency in temper command must evenly divide the total # of Swap frequency in temper command must evenly divide the total # of
timesteps. timesteps.
*Non-numeric box dimensions - simulation unstable*
The box size has apparently blown up.
*Number of core atoms != number of shell atoms* *Number of core atoms != number of shell atoms*
There must be a one-to-one pairing of core and shell atoms. There must be a one-to-one pairing of core and shell atoms.
*Numeric index is out of bounds*
A command with an argument that specifies an integer or range of
integers is using a value that is less than 1 or greater than the
maximum allowed limit.
*One or more Atom IDs is negative* *One or more Atom IDs is negative*
Atom IDs must be positive integers. Atom IDs must be positive integers.
@ -3778,51 +3630,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
Any rigid body defined by the fix rigid command must contain 2 or more Any rigid body defined by the fix rigid command must contain 2 or more
atoms. atoms.
*Out of range atoms - cannot compute MSM*
One or more atoms are attempting to map their charge to a MSM grid point
that is not owned by a processor. This is likely for one of two
reasons, both of them bad. First, it may mean that an atom near the
boundary of a processor's subdomain has moved more than 1/2 the
:doc:`neighbor skin distance <neighbor>` without neighbor lists being
rebuilt and atoms being migrated to new processors. This also means
you may be missing pairwise interactions that need to be computed.
The solution is to change the re-neighboring criteria via the
:doc:`neigh_modify <neigh_modify>` command. The safest settings are
"delay 0 every 1 check yes". Second, it may mean that an atom has
moved far outside a processor's subdomain or even the entire
simulation box. This indicates bad physics, e.g. due to highly
overlapping atoms, too large a timestep, etc.
*Out of range atoms - cannot compute PPPM*
One or more atoms are attempting to map their charge to a PPPM grid
point that is not owned by a processor. This is likely for one of two
reasons, both of them bad. First, it may mean that an atom near the
boundary of a processor's subdomain has moved more than 1/2 the
:doc:`neighbor skin distance <neighbor>` without neighbor lists being
rebuilt and atoms being migrated to new processors. This also means
you may be missing pairwise interactions that need to be computed.
The solution is to change the re-neighboring criteria via the
:doc:`neigh_modify <neigh_modify>` command. The safest settings are
"delay 0 every 1 check yes". Second, it may mean that an atom has
moved far outside a processor's subdomain or even the entire
simulation box. This indicates bad physics, e.g. due to highly
overlapping atoms, too large a timestep, etc.
*Out of range atoms - cannot compute PPPMDisp*
One or more atoms are attempting to map their charge to a PPPM grid
point that is not owned by a processor. This is likely for one of two
reasons, both of them bad. First, it may mean that an atom near the
boundary of a processor's subdomain has moved more than 1/2 the
:doc:`neighbor skin distance <neighbor>` without neighbor lists being
rebuilt and atoms being migrated to new processors. This also means
you may be missing pairwise interactions that need to be computed.
The solution is to change the re-neighboring criteria via the
:doc:`neigh_modify <neigh_modify>` command. The safest settings are
"delay 0 every 1 check yes". Second, it may mean that an atom has
moved far outside a processor's subdomain or even the entire
simulation box. This indicates bad physics, e.g. due to highly
overlapping atoms, too large a timestep, etc.
*Overflow of allocated fix vector storage* *Overflow of allocated fix vector storage*
This should not normally happen if the fix correctly calculated This should not normally happen if the fix correctly calculated
how long the vector will grow to. Contact the developers. how long the vector will grow to. Contact the developers.
@ -4342,19 +4149,9 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Per-atom compute in equal-style variable formula* *Per-atom compute in equal-style variable formula*
Equal-style variables cannot use per-atom quantities. Equal-style variables cannot use per-atom quantities.
*Per-atom energy was not tallied on needed timestep*
You are using a thermo keyword that requires potentials to
have tallied energy, but they did not on this timestep. See the
variable page for ideas on how to make this work.
*Per-atom fix in equal-style variable formula* *Per-atom fix in equal-style variable formula*
Equal-style variables cannot use per-atom quantities. Equal-style variables cannot use per-atom quantities.
*Per-atom virial was not tallied on needed timestep*
You are using a thermo keyword that requires potentials to have
tallied the virial, but they did not on this timestep. See the
variable page for ideas on how to make this work.
*Per-processor system is too big* *Per-processor system is too big*
The number of owned atoms plus ghost atoms on a single The number of owned atoms plus ghost atoms on a single
processor must fit in 32-bit integer. processor must fit in 32-bit integer.
@ -4717,10 +4514,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
See the extra/improper/per/atom keyword for the create_box See the extra/improper/per/atom keyword for the create_box
or the read_data command to set this limit larger or the read_data command to set this limit larger
*Substitution for illegal variable*
Input script line contained a variable that could not be substituted
for.
*Support for writing images in JPEG format not included* *Support for writing images in JPEG format not included*
LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile. LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile.
@ -4924,10 +4717,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
*Too many molecules for fix rigid* *Too many molecules for fix rigid*
The limit is 2\^31 = ~2 billion molecules. The limit is 2\^31 = ~2 billion molecules.
*Too many neighbor bins*
This is likely due to an immense simulation box that has blown up
to a large size.
*Too many timesteps* *Too many timesteps*
The cumulative timesteps must fit in a 64-bit integer. The cumulative timesteps must fit in a 64-bit integer.
@ -5019,57 +4808,12 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
A universe or uloop style variable must specify a number of values >= to the A universe or uloop style variable must specify a number of values >= to the
number of processor partitions. number of processor partitions.
*Unrecognized angle style*
The choice of angle style is unknown.
*Unrecognized atom style*
The choice of atom style is unknown.
*Unrecognized body style*
The choice of body style is unknown.
*Unrecognized bond style*
The choice of bond style is unknown.
*Unrecognized command: %s*
The command is not known to LAMMPS. Check the input script.
*Unrecognized compute style*
The choice of compute style is unknown.
*Unrecognized dihedral style*
The choice of dihedral style is unknown.
*Unrecognized dump reader style*
The choice of dump reader style via the format keyword is unknown.
*Unrecognized dump style*
The choice of dump style is unknown.
*Unrecognized fix style*
The choice of fix style is unknown.
*Unknown identifier in data file: %s*
A section of the data file cannot be read by LAMMPS.
*Unrecognized improper style*
The choice of improper style is unknown.
*Unknown keyword in thermo_style custom command* *Unknown keyword in thermo_style custom command*
One or more specified keywords are not recognized. One or more specified keywords are not recognized.
*Unrecognized kspace style*
The choice of kspace style is unknown.
*Unrecognized pair style*
The choice of pair style is unknown.
*Unknown pair_modify hybrid sub-style* *Unknown pair_modify hybrid sub-style*
The choice of sub-style is unknown. The choice of sub-style is unknown.
*Unrecognized region style*
The choice of region style is unknown.
*Unknown table style in pair_style command* *Unknown table style in pair_style command*
Style of table is invalid for use with pair_style table command. Style of table is invalid for use with pair_style table command.
@ -5260,11 +5004,6 @@ Please also see the page with :doc:`Warning messages <Errors_warnings>`.
This is so there is an equal number of Rspace processors for every This is so there is an equal number of Rspace processors for every
Kspace processor. Kspace processor.
*Virial was not tallied on needed timestep*
You are using a thermo keyword that requires potentials to
have tallied the virial, but they did not on this timestep. See the
variable page for ideas on how to make this work.
*Voro++ error: narea and neigh have a different size* *Voro++ error: narea and neigh have a different size*
This error is returned by the Voro++ library. This error is returned by the Voro++ library.

21
doc/src/Errors_warnings.rst
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@ -270,23 +270,6 @@ Please also see the page with :doc:`Error messages <Errors_messages>`
The topology contains impropers, but there are no improper forces computed The topology contains impropers, but there are no improper forces computed
since there was no improper_style command. since there was no improper_style command.
*Inconsistent image flags*
The image flags for a pair on bonded atoms appear to be inconsistent.
Inconsistent means that when the coordinates of the two atoms are
unwrapped using the image flags, the two atoms are far apart.
Specifically they are further apart than half a periodic box length.
Or they are more than a box length apart in a non-periodic dimension.
This is usually due to the initial data file not having correct image
flags for the two atoms in a bond that straddles a periodic boundary.
They should be different by 1 in that case. This is a warning because
inconsistent image flags will not cause problems for dynamics or most
LAMMPS simulations. However they can cause problems when such atoms
are used with the fix rigid or replicate commands. Note that if you
have an infinite periodic crystal with bonds then it is impossible to
have fully consistent image flags, since some bonds will cross
periodic boundaries and connect two atoms with the same image
flag.
*Increasing communication cutoff for GPU style* *Increasing communication cutoff for GPU style*
The pair style has increased the communication cutoff to be consistent with The pair style has increased the communication cutoff to be consistent with
the communication cutoff requirements for this pair style when run on the GPU. the communication cutoff requirements for this pair style when run on the GPU.
@ -346,10 +329,6 @@ Please also see the page with :doc:`Error messages <Errors_messages>`
The temperature computation used by the velocity command will not be The temperature computation used by the velocity command will not be
on the same group of atoms that velocities are being set for. on the same group of atoms that velocities are being set for.
*Molecule attributes do not match system attributes*
An attribute is specified (e.g. diameter, charge) that is
not defined for the specified atom style.
*Molecule has bond topology but no special bond settings* *Molecule has bond topology but no special bond settings*
This means the bonded atoms will not be excluded in pairwise This means the bonded atoms will not be excluded in pairwise
interactions. interactions.